 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C22 H50 N2 P2 Se2 Zn'
_chemical_formula_sum
 'C22 H50 N2 P2 Se2 Zn'
_chemical_formula_weight          627.87
 
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'
 'Se'  'Se'  -0.0929   2.2259
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Zn'  'Zn'   0.2839   1.4301
 '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)/a
_symmetry_space_group_name_hall    '-P 2yab'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z'
 '-x, -y, -z'
 'x+1/2, -y+1/2, z'
 
_cell_length_a                    15.815(5)
_cell_length_b                    11.848(8)
_cell_length_c                    16.041(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.565(18)
_cell_angle_gamma                 90.00
_cell_volume                      3006(2)
_cell_formula_units_Z             4
_cell_measurement_temperature     220(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           0.18
_exptl_crystal_size_min           0.14
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.388
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1296
_exptl_absorpt_coefficient_mu     3.357
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.4996
_exptl_absorpt_correction_T_max   0.6508
_exptl_absorpt_process_details    'SORTAV (R.H.Blessing, 1995, 1997)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       220(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             11704
_diffrn_reflns_av_R_equivalents   0.0746
_diffrn_reflns_av_sigmaI/netI     0.0822
_diffrn_reflns_limit_h_min        -18
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_k_min        -12
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_l_min        -18
_diffrn_reflns_limit_l_max        18
_diffrn_reflns_theta_min          2.15
_diffrn_reflns_theta_max          25.05
_reflns_number_total              4440
_reflns_number_gt                 3414
_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)+(0.0505P)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          4440
_refine_ls_number_parameters      278
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0520
_refine_ls_R_factor_gt            0.0407
_refine_ls_wR_factor_ref          0.0972
_refine_ls_wR_factor_gt           0.0955
_refine_ls_goodness_of_fit_ref    0.964
_refine_ls_restrained_S_all       0.964
_refine_ls_shift/su_max           0.003
_refine_ls_shift/su_mean          0.000
 
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
Zn1 Zn 0.81700(3) 0.88675(4) 0.24721(3) 0.02356(15) Uani 1 1 d . . .
Se1 Se 0.72791(3) 0.88917(4) 0.37791(3) 0.03705(16) Uani 1 1 d . . .
Se2 Se 0.75440(3) 0.81475(4) 0.11102(3) 0.03360(15) Uani 1 1 d . . .
P1 P 0.76418(7) 1.06283(10) 0.35338(7) 0.0254(3) Uani 1 1 d . . .
P2 P 0.86343(6) 0.70930(9) 0.14019(7) 0.0241(3) Uani 1 1 d . . .
N1 N 0.82207(19) 1.0505(3) 0.27180(19) 0.0244(8) Uani 1 1 d . . .
N2 N 0.89984(19) 0.7655(3) 0.22491(19) 0.0231(8) Uani 1 1 d . . .
C1 C 0.8641(3) 1.1413(4) 0.2228(3) 0.0346(11) Uani 1 1 d . . .
H1 H 0.8538 1.2146 0.2505 0.042 Uiso 1 1 calc R . .
C2 C 0.9590(3) 1.1205(5) 0.2204(3) 0.0531(15) Uani 1 1 d . . .
H2A H 0.9857 1.1788 0.1874 0.080 Uiso 1 1 calc R . .
H2B H 0.9698 1.0473 0.1956 0.080 Uiso 1 1 calc R . .
H2C H 0.9819 1.1221 0.2767 0.080 Uiso 1 1 calc R . .
C3 C 0.8282(3) 1.1463(5) 0.1345(3) 0.0491(14) Uani 1 1 d . . .
H3A H 0.8556 1.2066 0.1041 0.074 Uiso 1 1 calc R . .
H3B H 0.7678 1.1606 0.1366 0.074 Uiso 1 1 calc R . .
H3C H 0.8382 1.0750 0.1066 0.074 Uiso 1 1 calc R . .
C4 C 0.6654(3) 1.1467(4) 0.3340(3) 0.0365(11) Uani 1 1 d . . .
C5 C 0.6054(4) 1.1477(7) 0.4069(3) 0.085(2) Uani 1 1 d . . .
H5A H 0.6276 1.1967 0.4503 0.128 Uiso 1 1 calc R . .
H5B H 0.5994 1.0717 0.4286 0.128 Uiso 1 1 calc R . .
H5C H 0.5505 1.1754 0.3885 0.128 Uiso 1 1 calc R . .
C6 C 0.6849(3) 1.2678(5) 0.3057(4) 0.078(2) Uani 1 1 d . . .
H6A H 0.7238 1.2657 0.2593 0.117 Uiso 1 1 calc R . .
H6B H 0.7103 1.3094 0.3515 0.117 Uiso 1 1 calc R . .
H6C H 0.6329 1.3046 0.2883 0.117 Uiso 1 1 calc R . .
C7 C 0.6192(3) 1.0877(5) 0.2606(3) 0.0547(15) Uani 1 1 d . . .
H7A H 0.6574 1.0803 0.2139 0.082 Uiso 1 1 calc R . .
H7B H 0.5705 1.1323 0.2437 0.082 Uiso 1 1 calc R . .
H7C H 0.6006 1.0133 0.2780 0.082 Uiso 1 1 calc R . .
C8 C 0.8258(3) 1.1159(4) 0.4468(3) 0.0390(12) Uani 1 1 d . . .
C9 C 0.8551(3) 1.2387(5) 0.4349(3) 0.0555(16) Uani 1 1 d . . .
H9A H 0.8066 1.2886 0.4365 0.083 Uiso 1 1 calc R . .
H9B H 0.8828 1.2460 0.3815 0.083 Uiso 1 1 calc R . .
H9C H 0.8945 1.2588 0.4793 0.083 Uiso 1 1 calc R . .
C10 C 0.9037(4) 1.0390(6) 0.4545(4) 0.082(2) Uani 1 1 d . . .
H10A H 0.8857 0.9609 0.4573 0.124 Uiso 1 1 calc R . .
H10B H 0.9353 1.0582 0.5047 0.124 Uiso 1 1 calc R . .
H10C H 0.9394 1.0495 0.4062 0.124 Uiso 1 1 calc R . .
C11 C 0.7759(3) 1.1050(5) 0.5275(3) 0.0500(14) Uani 1 1 d . . .
H11A H 0.7506 1.0305 0.5303 0.075 Uiso 1 1 calc R . .
H11B H 0.7317 1.1617 0.5285 0.075 Uiso 1 1 calc R . .
H11C H 0.8136 1.1157 0.5749 0.075 Uiso 1 1 calc R . .
C12 C 0.9748(3) 0.7284(4) 0.2752(3) 0.0310(11) Uani 1 1 d . . .
H12 H 1.0015 0.6636 0.2468 0.037 Uiso 1 1 calc R . .
C13 C 1.0386(3) 0.8233(5) 0.2816(3) 0.0474(13) Uani 1 1 d . . .
H13A H 1.0868 0.7987 0.3149 0.071 Uiso 1 1 calc R . .
H13B H 1.0127 0.8882 0.3078 0.071 Uiso 1 1 calc R . .
H13C H 1.0574 0.8437 0.2262 0.071 Uiso 1 1 calc R . .
C14 C 0.9488(3) 0.6914(5) 0.3618(3) 0.0438(13) Uani 1 1 d . . .
H14A H 0.9988 0.6727 0.3944 0.066 Uiso 1 1 calc R . .
H14B H 0.9125 0.6256 0.3575 0.066 Uiso 1 1 calc R . .
H14C H 0.9184 0.7522 0.3887 0.066 Uiso 1 1 calc R . .
C15 C 0.8236(3) 0.5612(4) 0.1569(3) 0.0356(11) Uani 1 1 d . . .
C16 C 0.7621(3) 0.5694(5) 0.2291(3) 0.0545(14) Uani 1 1 d . . .
H16A H 0.7908 0.6017 0.2772 0.082 Uiso 1 1 calc R . .
H16B H 0.7416 0.4946 0.2430 0.082 Uiso 1 1 calc R . .
H16C H 0.7148 0.6170 0.2132 0.082 Uiso 1 1 calc R . .
C17 C 0.8948(3) 0.4786(4) 0.1811(4) 0.0568(15) Uani 1 1 d . . .
H17A H 0.9329 0.4697 0.1346 0.085 Uiso 1 1 calc R . .
H17B H 0.8706 0.4060 0.1952 0.085 Uiso 1 1 calc R . .
H17C H 0.9259 0.5081 0.2288 0.085 Uiso 1 1 calc R . .
C18 C 0.7768(4) 0.5148(5) 0.0809(3) 0.0733(19) Uani 1 1 d . . .
H18A H 0.8169 0.4995 0.0369 0.110 Uiso 1 1 calc R . .
H18B H 0.7356 0.5698 0.0615 0.110 Uiso 1 1 calc R . .
H18C H 0.7480 0.4455 0.0959 0.110 Uiso 1 1 calc R . .
C19 C 0.9403(3) 0.7198(4) 0.0516(3) 0.0360(11) Uani 1 1 d . . .
C20 C 1.0203(3) 0.6504(5) 0.0664(3) 0.0538(15) Uani 1 1 d . . .
H20A H 1.0460 0.6721 0.1192 0.081 Uiso 1 1 calc R . .
H20B H 1.0598 0.6642 0.0217 0.081 Uiso 1 1 calc R . .
H20C H 1.0060 0.5708 0.0678 0.081 Uiso 1 1 calc R . .
C21 C 0.9635(4) 0.8466(5) 0.0455(3) 0.0592(16) Uani 1 1 d . . .
H21A H 0.9910 0.8705 0.0969 0.089 Uiso 1 1 calc R . .
H21B H 0.9125 0.8906 0.0365 0.089 Uiso 1 1 calc R . .
H21C H 1.0016 0.8580 -0.0008 0.089 Uiso 1 1 calc R . .
C22 C 0.9000(3) 0.6841(6) -0.0320(3) 0.0628(18) Uani 1 1 d . . .
H22A H 0.8488 0.7275 -0.0419 0.094 Uiso 1 1 calc R . .
H22B H 0.8861 0.6043 -0.0302 0.094 Uiso 1 1 calc R . .
H22C H 0.9395 0.6978 -0.0767 0.094 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
Zn1 N2 1.980(3) . ?
Zn1 N1 1.982(4) . ?
Zn1 Se2 2.5372(9) . ?
Zn1 Se1 2.5377(9) . ?
Zn1 P2 2.8162(16) . ?
Zn1 P1 2.8246(16) . ?
Se1 P1 2.1730(18) . ?
Se2 P2 2.1766(13) . ?
P1 N1 1.611(3) . ?
P1 C4 1.875(4) . ?
P1 C8 1.888(4) . ?
P2 N2 1.614(3) . ?
P2 C19 1.883(4) . ?
P2 C15 1.884(5) . ?
N1 C1 1.492(5) . ?
N2 C12 1.494(5) . ?
C1 C2 1.521(6) . ?
C1 C3 1.522(6) . ?
C1 H1 0.9900 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 C5 1.514(7) . ?
C4 C6 1.536(7) . ?
C4 C7 1.548(7) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 C11 1.528(7) . ?
C8 C10 1.537(7) . ?
C8 C9 1.539(8) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 C13 1.513(7) . ?
C12 C14 1.516(6) . ?
C12 H12 0.9900 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 H14C 0.9700 . ?
C15 C18 1.523(6) . ?
C15 C16 1.523(7) . ?
C15 C17 1.539(6) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 H17C 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 C20 1.526(6) . ?
C19 C22 1.539(6) . ?
C19 C21 1.549(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
 
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
N2 Zn1 N1 136.16(13) . . ?
N2 Zn1 Se2 81.59(9) . . ?
N1 Zn1 Se2 121.02(9) . . ?
N2 Zn1 Se1 122.10(10) . . ?
N1 Zn1 Se1 81.15(9) . . ?
Se2 Zn1 Se1 120.00(3) . . ?
N2 Zn1 P2 33.99(9) . . ?
N1 Zn1 P2 147.36(10) . . ?
Se2 Zn1 P2 47.63(3) . . ?
Se1 Zn1 P2 131.48(4) . . ?
N2 Zn1 P1 147.70(9) . . ?
N1 Zn1 P1 33.73(10) . . ?
Se2 Zn1 P1 130.71(3) . . ?
Se1 Zn1 P1 47.44(3) . . ?
P2 Zn1 P1 177.92(3) . . ?
P1 Se1 Zn1 73.22(4) . . ?
P2 Se2 Zn1 72.92(4) . . ?
N1 P1 C4 113.09(19) . . ?
N1 P1 C8 112.48(19) . . ?
C4 P1 C8 112.2(2) . . ?
N1 P1 Se1 102.39(13) . . ?
C4 P1 Se1 108.14(16) . . ?
C8 P1 Se1 107.87(17) . . ?
C4 P1 Zn1 122.84(15) . . ?
C8 P1 Zn1 124.87(15) . . ?
Se1 P1 Zn1 59.34(4) . . ?
N2 P2 C19 112.36(18) . . ?
N2 P2 C15 112.40(19) . . ?
C19 P2 C15 112.8(2) . . ?
N2 P2 Se2 102.69(13) . . ?
C19 P2 Se2 108.40(15) . . ?
C15 P2 Se2 107.45(15) . . ?
NC19 P2 Zn1 125.77(16) . . ?
C15 P2 Zn1 121.25(15) . . ?
Se2 P2 Zn1 59.45(4) . . ?
C1 N1 P1 128.5(3) . . ?
C1 N1 Zn1 128.2(3) . . ?
P1 N1 Zn1 103.18(18) . . ?
C12 N2 P2 127.5(3) . . ?
C12 N2 Zn1 129.7(3) . . ?
P2 N2 Zn1 102.72(16) . . ?
N1 C1 C2 110.0(4) . . ?
N1 C1 C3 110.7(4) . . ?
C2 C1 C3 110.0(4) . . ?
N1 C1 H1 108.7 . . ?
C2 C1 H1 108.7 . . ?
C3 C1 H1 108.7 . . ?
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 110.5(5) . . ?
C5 C4 C7 107.2(4) . . ?
C6 C4 C7 107.0(4) . . ?
C5 C4 P1 113.8(3) . . ?
C6 C4 P1 112.0(3) . . ?
C7 C4 P1 105.9(3) . . ?
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 . . ?
C11 C8 C10 107.6(4) . . ?
C11 C8 C9 110.1(4) . . ?
C10 C8 C9 109.1(5) . . ?
C11 C8 P1 112.2(3) . . ?
C10 C8 P1 105.8(3) . . ?
C9 C8 P1 111.7(3) . . ?
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 . . ?
N2 C12 C13 110.1(4) . . ?
N2 C12 C14 111.0(3) . . ?
C13 C12 C14 109.9(4) . . ?
N2 C12 H12 108.6 . . ?
C13 C12 H12 108.6 . . ?
C14 C12 H12 108.6 . . ?
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 . . ?
C18 C15 C16 108.8(4) . . ?
C18 C15 C17 108.7(4) . . ?
C16 C15 C17 108.6(4) . . ?
C18 C15 P2 112.5(3) . . ?
C16 C15 P2 105.4(3) . . ?
C17 C15 P2 112.5(3) . . ?
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 . . ?
C20 C19 C22 108.8(4) . . ?
C20 C19 C21 109.6(4) . . ?
C22 C19 C21 108.0(4) . . ?
C20 C19 P2 112.8(3) . . ?
C22 C19 P2 112.0(3) . . ?
C21 C19 P2 105.5(3) . . ?
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    0.834
_diffrn_reflns_theta_full              25.05
_diffrn_measured_fraction_theta_full   0.834
_refine_diff_density_max    0.807
_refine_diff_density_min   -0.497
_refine_diff_density_rms    0.119
