 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C22 H50 Mn N2 P2 Te2'
_chemical_formula_sum
 'C22 H50 Mn N2 P2 Te2'
_chemical_formula_weight          714.72
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'C'  'C'   0.0033   0.0016
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mn'  'Mn'   0.3368   0.7283
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Te'  'Te'  -0.5308   1.6751
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2(1)/c
_symmetry_space_group_name_hall   '-P 2ybc'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    16.209(12)
_cell_length_b                    11.871(12)
_cell_length_c                    15.901(7)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.04(2)
_cell_angle_gamma                 90.00
_cell_volume                      3060(4)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?
 
_exptl_crystal_description        unk
_exptl_crystal_colour             unk
_exptl_crystal_size_max           0.24
_exptl_crystal_size_mid           0.20
_exptl_crystal_size_min           0.14
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.552
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1420
_exptl_absorpt_coefficient_mu     2.416
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.5947
_exptl_absorpt_correction_T_max   0.7284
_exptl_absorpt_process_details    'SORTAV (R.H.Blessing, 1995, 1997)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71069
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source         'rotating anode generator'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Delft instruments FAST area detector'
_diffrn_measurement_method
 'Intensity measurements as described by Darr, Drake, Hursthouse & Malik (1993)'
_diffrn_standards_number         'None'
_diffrn_standards_interval_count 'N/A'
_diffrn_standards_interval_time  'N/A'
_diffrn_standards_decay_%        'N/A'
_diffrn_reflns_number             7257
_diffrn_reflns_av_R_equivalents   0.0572
_diffrn_reflns_av_sigmaI/netI     0.1346
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_k_min        -13
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        9
_diffrn_reflns_theta_min          2.13
_diffrn_reflns_theta_max          25.32
_reflns_number_total              3900
_reflns_number_gt                 2362
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        'MADNES (Pflugrath & Messerschmidt, 1989)'
_computing_cell_refinement        REFINE
_computing_data_reduction         'ABSURD (Karaulov, 1992)'
_computing_structure_solution     'SIR92 (Altomare, Cascarano, Giacovazzo & Guaglitardi, 1993)'
_computing_structure_refinement   'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material   SHELXL97
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.1741P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          3900
_refine_ls_number_parameters      272
_refine_ls_number_restraints      12
_refine_ls_R_factor_all           0.1211
_refine_ls_R_factor_gt            0.0883
_refine_ls_wR_factor_ref          0.2586
_refine_ls_wR_factor_gt           0.2428
_refine_ls_goodness_of_fit_ref    0.970
_refine_ls_restrained_S_all       0.968
_refine_ls_shift/su_max           0.004
_refine_ls_shift/su_mean          0.001
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Te1 Te 0.60924(6) 0.18997(9) 0.75543(7) 0.0825(3) Uani 1 1 d . . .
Te2 Te 0.88198(6) 0.09986(9) 0.72702(8) 0.0922(4) Uani 1 1 d . . .
Mn1 Mn 0.74821(8) 0.11279(11) 0.81556(9) 0.0261(4) Uani 1 1 d . . .
P1 P 0.64063(14) 0.29295(19) 0.86430(15) 0.0262(6) Uani 1 1 d . . .
P2 P 0.85409(14) -0.0689(2) 0.76477(15) 0.0258(6) Uani 1 1 d . . .
N1 N 0.7262(4) 0.2382(6) 0.8995(4) 0.0252(18) Uani 1 1 d . . .
N2 N 0.7719(4) -0.0549(6) 0.8214(5) 0.0252(18) Uani 1 1 d . . .
C1 C 0.7759(6) 0.2784(9) 0.9745(7) 0.046(3) Uani 1 1 d . . .
H1 H 0.7479 0.3425 1.0009 0.056 Uiso 1 1 calc R . .
C2 C 0.7832(8) 0.1827(13) 1.0372(7) 0.072(4) Uani 1 1 d . . .
H2A H 0.7835 0.1122 1.0077 0.108 Uiso 1 1 calc R . .
H2B H 0.7372 0.1848 1.0752 0.108 Uiso 1 1 calc R . .
H2C H 0.8336 0.1906 1.0684 0.108 Uiso 1 1 calc R . .
C3 C 0.8600(7) 0.3126(14) 0.9474(8) 0.072(4) Uani 1 1 d . . .
H3A H 0.8579 0.3867 0.9232 0.108 Uiso 1 1 calc R . .
H3B H 0.8802 0.2602 0.9063 0.108 Uiso 1 1 calc R . .
H3C H 0.8962 0.3131 0.9952 0.108 Uiso 1 1 calc R . .
C4 C 0.5549(6) 0.2797(9) 0.9430(7) 0.046(2) Uani 1 1 d U . .
C5 C 0.5490(7) 0.1606(13) 0.9660(10) 0.079(5) Uani 1 1 d . . .
H5A H 0.5175 0.1211 0.9243 0.118 Uiso 1 1 calc R . .
H5B H 0.5224 0.1537 1.0197 0.118 Uiso 1 1 calc R . .
H5C H 0.6034 0.1289 0.9692 0.118 Uiso 1 1 calc R . .
C6 C 0.5656(8) 0.3474(14) 1.0194(8) 0.083(5) Uani 1 1 d . . .
H6A H 0.5653 0.4259 1.0049 0.125 Uiso 1 1 calc R . .
H6B H 0.6172 0.3285 1.0455 0.125 Uiso 1 1 calc R . .
H6C H 0.5212 0.3321 1.0578 0.125 Uiso 1 1 calc R . .
C7 C 0.4700(6) 0.3120(15) 0.9019(9) 0.083(5) Uani 1 1 d . . .
H7A H 0.4695 0.3910 0.8892 0.124 Uiso 1 1 calc R . .
H7B H 0.4260 0.2950 0.9403 0.124 Uiso 1 1 calc R . .
H7C H 0.4626 0.2697 0.8510 0.124 Uiso 1 1 calc R . .
C8 C 0.6558(6) 0.4390(9) 0.8232(7) 0.046(2) Uani 1 1 d . . .
C9 C 0.6776(9) 0.5176(11) 0.8916(10) 0.087(5) Uani 1 1 d . . .
H9A H 0.6329 0.5219 0.9310 0.131 Uiso 1 1 calc R . .
H9B H 0.6880 0.5909 0.8685 0.131 Uiso 1 1 calc R . .
H9C H 0.7263 0.4910 0.9198 0.131 Uiso 1 1 calc R . .
C10 C 0.5770(9) 0.4811(12) 0.7810(11) 0.091(5) Uani 1 1 d . . .
H10A H 0.5846 0.5577 0.7632 0.137 Uiso 1 1 calc R . .
H10B H 0.5321 0.4772 0.8202 0.137 Uiso 1 1 calc R . .
H10C H 0.5649 0.4349 0.7330 0.137 Uiso 1 1 calc R . .
C11 C 0.7253(8) 0.4313(10) 0.7632(8) 0.071(4) Uani 1 1 d . . .
H11A H 0.7217 0.4918 0.7234 0.106 Uiso 1 1 calc R . .
H11B H 0.7228 0.3605 0.7341 0.106 Uiso 1 1 calc R . .
H11C H 0.7765 0.4365 0.7933 0.106 Uiso 1 1 calc R . .
C12 C 0.7237(6) -0.1441(8) 0.8641(7) 0.044(3) Uani 1 1 d . . .
H12 H 0.7522 -0.2160 0.8552 0.052 Uiso 1 1 calc R . .
C13 C 0.6393(7) -0.1524(11) 0.8241(10) 0.075(5) Uani 1 1 d . . .
H13A H 0.6083 -0.2111 0.8511 0.112 Uiso 1 1 calc R . .
H13B H 0.6451 -0.1693 0.7654 0.112 Uiso 1 1 calc R . .
H13C H 0.6109 -0.0820 0.8306 0.112 Uiso 1 1 calc R . .
C14 C 0.7166(8) -0.1266(13) 0.9509(9) 0.083(5) Uani 1 1 d . . .
H14A H 0.6805 -0.1824 0.9745 0.125 Uiso 1 1 calc R . .
H14B H 0.6943 -0.0529 0.9612 0.125 Uiso 1 1 calc R . .
H14C H 0.7700 -0.1325 0.9766 0.125 Uiso 1 1 calc R . .
C15 C 0.8372(6) -0.1525(10) 0.6667(7) 0.044(3) Uani 1 1 d . . .
C16 C 0.7668(8) -0.0949(12) 0.6177(8) 0.074(4) Uani 1 1 d . . .
H16A H 0.7579 -0.0206 0.6397 0.111 Uiso 1 1 calc R . .
H16B H 0.7171 -0.1384 0.6235 0.111 Uiso 1 1 calc R . .
H16C H 0.7814 -0.0899 0.5593 0.111 Uiso 1 1 calc R . .
C17 C 0.9026(11) -0.1478(16) 0.6074(10) 0.123(7) Uani 1 1 d . . .
H17A H 0.9265 -0.0738 0.6078 0.185 Uiso 1 1 calc R . .
H17B H 0.8817 -0.1642 0.5523 0.185 Uiso 1 1 calc R . .
H17C H 0.9440 -0.2022 0.6221 0.185 Uiso 1 1 calc R . .
C18 C 0.8136(12) -0.2705(11) 0.6861(10) 0.109(6) Uani 1 1 d . . .
H18A H 0.7588 -0.2846 0.6658 0.164 Uiso 1 1 calc R . .
H18B H 0.8151 -0.2819 0.7459 0.164 Uiso 1 1 calc R . .
H18C H 0.8515 -0.3211 0.6594 0.164 Uiso 1 1 calc R . .
C19 C 0.9443(6) -0.1225(10) 0.8287(7) 0.050(3) Uani 1 1 d U . .
C20 C 1.0265(7) -0.1175(11) 0.7788(10) 0.069(4) Uani 1 1 d . . .
H20A H 1.0713 -0.1038 0.8169 0.104 Uiso 1 1 calc R . .
H20B H 1.0238 -0.0579 0.7382 0.104 Uiso 1 1 calc R . .
H20C H 1.0352 -0.1880 0.7505 0.104 Uiso 1 1 calc R . .
C21 C 0.9331(7) -0.2399(14) 0.8578(8) 0.075(5) Uani 1 1 d . . .
H21A H 0.8807 -0.2469 0.8854 0.113 Uiso 1 1 calc R . .
H21B H 0.9764 -0.2590 0.8965 0.113 Uiso 1 1 calc R . .
H21C H 0.9351 -0.2899 0.8104 0.113 Uiso 1 1 calc R . .
C22 C 0.9504(10) -0.0442(16) 0.9018(10) 0.125(6) Uani 1 1 d . . .
H22A H 0.9667 0.0291 0.8825 0.187 Uiso 1 1 calc R . .
H22B H 0.9907 -0.0722 0.9408 0.187 Uiso 1 1 calc R . .
H22C H 0.8977 -0.0392 0.9292 0.187 Uiso 1 1 calc R . .
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Te1 P1 2.180(3) . ?
Te1 Mn1 2.613(2) . ?
Te2 P2 2.140(3) . ?
Te2 Mn1 2.590(2) . ?
Mn1 N2 2.029(7) . ?
Mn1 N1 2.031(7) . ?
Mn1 P1 2.866(3) . ?
Mn1 P2 2.872(3) . ?
P1 N1 1.631(7) . ?
P1 C8 1.869(12) . ?
P1 C4 1.878(11) . ?
P2 N2 1.617(8) . ?
P2 C15 1.869(10) . ?
P2 C19 1.891(10) . ?
N1 C1 1.516(12) . ?
N2 C12 1.480(12) . ?
C1 C3 1.486(16) . ?
C1 C2 1.516(17) . ?
C1 H1 0.9800 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.463(18) . ?
C4 C6 1.467(18) . ?
C4 C7 1.571(16) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.476(18) . ?
C8 C11 1.479(17) . ?
C8 C10 1.526(16) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C14 1.401(18) . ?
C12 C13 1.512(16) . ?
C12 H12 0.9800 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C17 1.420(19) . ?
C15 C18 1.484(18) . ?
C15 C16 1.542(17) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C21 1.480(19) . ?
C19 C22 1.491(18) . ?
C19 C20 1.552(17) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
P1 Te1 Mn1 72.83(8) . . ?
P2 Te2 Mn1 74.10(8) . . ?
N2 Mn1 N1 136.2(3) . . ?
N2 Mn1 Te2 79.0(2) . . ?
N1 Mn1 Te2 123.2(2) . . ?
N2 Mn1 Te1 121.6(2) . . ?
N1 Mn1 Te1 80.33(19) . . ?
Te2 Mn1 Te1 122.92(8) . . ?
N2 Mn1 P1 146.6(2) . . ?
N1 Mn1 P1 33.8(2) . . ?
Te2 Mn1 P1 134.47(8) . . ?
Te1 Mn1 P1 46.59(6) . . ?
N2 Mn1 P2 33.2(2) . . ?
N1 Mn1 P2 147.2(2) . . ?
Te2 Mn1 P2 45.76(6) . . ?
Te1 Mn1 P2 132.49(8) . . ?
P1 Mn1 P2 179.08(9) . . ?
N1 P1 C8 112.2(4) . . ?
N1 P1 C4 111.5(4) . . ?
C8 P1 C4 114.1(5) . . ?
N1 P1 Te1 104.3(3) . . ?
C8 P1 Te1 105.9(4) . . ?
C4 P1 Te1 108.0(4) . . ?
N1 P1 Mn1 43.8(3) . . ?
C8 P1 Mn1 121.2(3) . . ?
C4 P1 Mn1 124.6(3) . . ?
Te1 P1 Mn1 60.57(7) . . ?
N2 P2 C15 113.5(4) . . ?
N2 P2 C19 111.8(5) . . ?
C15 P2 C19 112.5(5) . . ?
N2 P2 Te2 103.5(3) . . ?
C15 P2 Te2 107.1(4) . . ?
C19 P2 Te2 107.6(4) . . ?
N2 P2 Mn1 43.4(3) . . ?
C15 P2 Mn1 123.1(3) . . ?
C19 P2 Mn1 124.3(4) . . ?
Te2 P2 Mn1 60.13(8) . . ?
C1 N1 P1 126.6(6) . . ?
C1 N1 Mn1 130.9(5) . . ?
P1 N1 Mn1 102.5(4) . . ?
C12 N2 P2 128.1(6) . . ?
C12 N2 Mn1 128.6(6) . . ?
P2 N2 Mn1 103.3(4) . . ?
C3 C1 C2 108.9(9) . . ?
C3 C1 N1 110.2(9) . . ?
C2 C1 N1 108.8(9) . . ?
C3 C1 H1 109.7 . . ?
C2 C1 H1 109.7 . . ?
N1 C1 H1 109.7 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C6 109.3(12) . . ?
C5 C4 C7 106.5(10) . . ?
C6 C4 C7 108.3(10) . . ?
C5 C4 P1 107.2(8) . . ?
C6 C4 P1 114.7(9) . . ?
C7 C4 P1 110.5(8) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C11 109.3(11) . . ?
C9 C8 C10 108.5(11) . . ?
C11 C8 C10 111.9(11) . . ?
C9 C8 P1 111.1(9) . . ?
C11 C8 P1 105.5(8) . . ?
C10 C8 P1 110.4(8) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 N2 112.9(10) . . ?
C14 C12 C13 110.4(10) . . ?
N2 C12 C13 109.4(9) . . ?
C14 C12 H12 108.0 . . ?
N2 C12 H12 108.0 . . ?
C13 C12 H12 108.0 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C18 111.6(12) . . ?
C17 C15 C16 101.5(12) . . ?
C18 C15 C16 109.4(11) . . ?
C17 C15 P2 115.0(9) . . ?
C18 C15 P2 111.4(9) . . ?
C16 C15 P2 107.1(8) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C22 110.5(12) . . ?
C21 C19 C20 107.5(9) . . ?
C22 C19 C20 108.6(11) . . ?
C21 C19 P2 113.0(8) . . ?
C22 C19 P2 105.1(8) . . ?
C20 C19 P2 112.1(9) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
 
_diffrn_measured_fraction_theta_max    0.698
_diffrn_reflns_theta_full              25.32
_diffrn_measured_fraction_theta_full   0.698
_refine_diff_density_max    2.656
_refine_diff_density_min   -1.404
_refine_diff_density_rms    0.240
