 
data_s92
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C52 H48 Cl N O P4 Ru, 2(F6 P), 2(C2 H3 N)'
_chemical_formula_sum
 'C56 H54 Cl F12 N3 O P6 Ru'
_chemical_formula_weight          1335.36
 
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'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'F'  'F'   0.0171   0.0103
 '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'
 'Cl'  'Cl'   0.1484   0.1585
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ru'  'Ru'  -1.2594   0.8363
 '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'
 
_symmetry_cell_setting            monoclinic
_symmetry_space_group_name_H-M    C2/c
_symmetry_space_group_name_hall   '-C 2yc'
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
 
_cell_length_a                    17.5733(7)
_cell_length_b                    14.6043(6)
_cell_length_c                    22.9086(12)
_cell_angle_alpha                 90.00
_cell_angle_beta                  92.036(2)
_cell_angle_gamma                 90.00
_cell_volume                      5875.7(5)
_cell_formula_units_Z             4
_cell_measurement_temperature     120(2)
_cell_measurement_reflns_used     9292
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max       25.03
 
_exptl_crystal_description        unk
_exptl_crystal_colour             unk
_exptl_crystal_size_max           0.15
_exptl_crystal_size_mid           0.10
_exptl_crystal_size_min           0.06
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.510
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              2712
_exptl_absorpt_coefficient_mu     0.556
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.9213
_exptl_absorpt_correction_T_max   0.9674
_exptl_absorpt_process_details    'SORTAV (R.H.Blessing,1995, 1997)'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       120(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method        'ω and φ scans to fill Ewald sphere'
_diffrn_detector_area_resol_mean  '9.091 pixels/mm'
_diffrn_standards_number          'n/a'
_diffrn_standards_interval_count  'n/a'
_diffrn_standards_interval_time   'n/a'
_diffrn_standards_decay_%         'n/a'
_diffrn_reflns_number             14087
_diffrn_reflns_av_R_equivalents   0.0961
_diffrn_reflns_av_sigmaI/netI     0.1046
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        15
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          2.93
_diffrn_reflns_theta_max          23.25
_reflns_number_total              4180
_reflns_number_gt                 2607
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        
;
'DENZO (Otwinowski and Minor, 1997) & COLLECT (Hooft, 1998) '
;
_computing_cell_refinement        'DENZO and COLLECT'
_computing_data_reduction         'DENZO and COLLECT'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_computing_molecular_graphics     'PLATON (Watkin, Pearce 1995)'
_computing_publication_material   SHELXL-97
 
_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)+(0.1505P)²+173.3240P] 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          4180
_refine_ls_number_parameters      313
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1494
_refine_ls_R_factor_gt            0.0953
_refine_ls_wR_factor_ref          0.2914
_refine_ls_wR_factor_gt           0.2515
_refine_ls_goodness_of_fit_ref    0.946
_refine_ls_restrained_S_all       0.946
_refine_ls_shift/su_max           0.000
_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
O1 O 0.0306(10) 0.1992(15) 0.5093(7) 0.041(5) Uiso 0.50 1 d P A -1
N1 N 0.0185(11) 0.1226(18) 0.5104(9) 0.023(7) Uiso 0.50 1 d P A -1
Cl1 Cl -0.0201(4) -0.1527(8) 0.4930(3) 0.032(2) Uiso 0.50 1 d P A -1
Ru1 Ru 0.0000 0.0000 0.5000 0.0263(4) Uani 1 2 d S . .
P1 P -0.03234(14) -0.00318(19) 0.60427(11) 0.0245(7) Uani 1 1 d . A .
P2 P 0.13834(17) -0.0298(3) 0.51049(14) 0.0510(11) Uani 1 1 d . A .
P3 P 0.1514(2) -0.5295(3) 0.6867(3) 0.0699(14) Uani 1 1 d . . .
F1 F 0.2225(5) -0.4755(6) 0.6684(4) 0.072(3) Uani 1 1 d . . .
F2 F 0.1038(6) -0.4480(6) 0.6989(6) 0.111(4) Uani 1 1 d . . .
F3 F 0.2006(10) -0.6087(9) 0.672(2) 0.43(3) Uani 1 1 d . . .
F4 F 0.0836(8) -0.5815(8) 0.7099(17) 0.34(2) Uani 1 1 d . . .
F6 F 0.1860(9) -0.550(3) 0.7388(12) 0.50(4) Uani 1 1 d . . .
F5 F 0.1192(8) -0.541(3) 0.6312(9) 0.41(3) Uani 1 1 d . . .
N2 N 0.4125(8) -0.1808(11) 0.5845(7) 0.085(4) Uani 1 1 d . . .
C28 C 0.4148(8) -0.1108(10) 0.6057(7) 0.058(4) Uani 1 1 d . . .
C27 C 0.4179(9) -0.0222(10) 0.6324(10) 0.081(6) Uani 1 1 d . . .
H27A H 0.4695 -0.0110 0.6485 0.121 Uiso 1 1 calc R . .
H27B H 0.3817 -0.0196 0.6639 0.121 Uiso 1 1 calc R . .
H27C H 0.4048 0.0246 0.6031 0.121 Uiso 1 1 calc R . .
C1 C -0.0491(4) -0.1134(4) 0.6377(3) 0.030(3) Uani 1 1 d G . .
C2 C -0.1114(5) -0.1241(6) 0.6728(4) 0.066(5) Uani 1 1 d G A .
H2 H -0.1458 -0.0747 0.6777 0.079 Uiso 1 1 calc R . .
C3 C -0.1233(6) -0.2070(7) 0.7008(4) 0.108(9) Uani 1 1 d G A .
H3 H -0.1659 -0.2144 0.7248 0.129 Uiso 1 1 calc R . .
C4 C -0.0730(7) -0.2793(5) 0.6937(4) 0.095(8) Uani 1 1 d G A .
H4 H -0.0811 -0.3360 0.7128 0.114 Uiso 1 1 calc R . .
C5 C -0.0107(6) -0.2685(5) 0.6585(5) 0.076(5) Uani 1 1 d G A .
H5 H 0.0237 -0.3179 0.6537 0.092 Uiso 1 1 calc R . .
C6 C 0.0012(4) -0.1856(5) 0.6306(4) 0.044(3) Uani 1 1 d G A .
H6 H 0.0438 -0.1783 0.6065 0.053 Uiso 1 1 calc R . .
C7 C 0.0295(4) 0.0588(5) 0.6553(3) 0.036(3) Uani 1 1 d G . .
C8 C 0.0851(4) 0.0130(5) 0.6886(3) 0.043(3) Uani 1 1 d G A .
H8 H 0.0882 -0.0519 0.6871 0.051 Uiso 1 1 calc R . .
C9 C 0.1360(5) 0.0621(8) 0.7243(4) 0.077(6) Uani 1 1 d G A .
H9 H 0.1740 0.0308 0.7471 0.092 Uiso 1 1 calc R . .
C10 C 0.1314(7) 0.1570(8) 0.7266(4) 0.127(11) Uani 1 1 d G A .
H10 H 0.1663 0.1906 0.7510 0.152 Uiso 1 1 calc R . .
C11 C 0.0759(8) 0.2029(5) 0.6933(5) 0.123(11) Uani 1 1 d G A .
H11 H 0.0727 0.2678 0.6949 0.147 Uiso 1 1 calc R . .
C12 C 0.0249(6) 0.1538(5) 0.6576(4) 0.068(5) Uani 1 1 d G A .
H12 H -0.0131 0.1851 0.6348 0.081 Uiso 1 1 calc R . .
C13 C 0.1709(5) -0.1208(6) 0.5590(3) 0.049(4) Uani 1 1 d G . .
C14 C 0.1542(5) -0.2109(7) 0.5438(4) 0.097(8) Uani 1 1 d G A .
H14 H 0.1290 -0.2242 0.5074 0.116 Uiso 1 1 calc R . .
C15 C 0.1742(6) -0.2816(5) 0.5820(6) 0.120(10) Uani 1 1 d G A .
H15 H 0.1627 -0.3432 0.5717 0.144 Uiso 1 1 calc R . .
C16 C 0.2110(5) -0.2622(5) 0.6353(5) 0.087(6) Uani 1 1 d G A .
H16 H 0.2247 -0.3105 0.6613 0.104 Uiso 1 1 calc R . .
C17 C 0.2278(5) -0.1720(6) 0.6504(3) 0.049(3) Uani 1 1 d G A .
H17 H 0.2529 -0.1588 0.6868 0.059 Uiso 1 1 calc R . .
C18 C 0.2077(4) -0.1013(4) 0.6122(3) 0.038(3) Uani 1 1 d G A .
H18 H 0.2192 -0.0397 0.6226 0.046 Uiso 1 1 calc R . .
C19 C 0.2029(4) 0.0634(7) 0.5267(4) 0.059(4) Uani 1 1 d G . .
C20 C 0.1867(4) 0.1258(7) 0.5704(4) 0.061(5) Uani 1 1 d G A .
H20 H 0.1400 0.1220 0.5898 0.074 Uiso 1 1 calc R . .
C21 C 0.2390(6) 0.1939(7) 0.5856(5) 0.081(6) Uani 1 1 d G A .
H21 H 0.2280 0.2366 0.6154 0.097 Uiso 1 1 calc R . .
C22 C 0.3074(5) 0.1996(8) 0.5572(6) 0.130(13) Uani 1 1 d G A .
H22 H 0.3432 0.2461 0.5676 0.156 Uiso 1 1 calc R . .
C23 C 0.3236(4) 0.1371(10) 0.5135(6) 0.141(14) Uani 1 1 d G A .
H23 H 0.3704 0.1410 0.4941 0.169 Uiso 1 1 calc R . .
C24 C 0.2713(5) 0.0690(8) 0.4983(5) 0.089(7) Uani 1 1 d G A .
H24 H 0.2824 0.0264 0.4685 0.107 Uiso 1 1 calc R . .
C25 C -0.1229(8) 0.0546(13) 0.6072(6) 0.068(5) Uani 1 1 d . . .
H25A H -0.1542 0.0193 0.6344 0.082 Uiso 1 1 calc R A .
H25B H -0.1131 0.1149 0.6256 0.082 Uiso 1 1 calc R . .
C26 C 0.1643(11) -0.069(3) 0.4384(7) 0.195(19) Uani 1 1 d . . .
H26A H 0.2149 -0.0424 0.4311 0.234 Uiso 1 1 calc R A .
H26B H 0.1715 -0.1360 0.4413 0.234 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
O1 N1 1.14(3) . ?
N1 Ru1 1.83(3) . ?
Cl1 Ru1 2.263(12) . ?
Ru1 N1 1.83(3) 5_556 ?
Ru1 Cl1 2.263(12) 5_556 ?
Ru1 P2 2.473(3) 5_556 ?
Ru1 P2 2.473(3) . ?
Ru1 P1 2.475(2) . ?
Ru1 P1 2.475(2) 5_556 ?
P1 C1 1.811(6) . ?
P1 C25 1.805(12) . ?
P1 C7 1.810(6) . ?
P2 C13 1.812(8) . ?
P2 C19 1.801(9) . ?
P2 C26 1.820(15) . ?
P3 F5 1.384(15) . ?
P3 F1 1.549(9) . ?
P3 F4 1.524(15) . ?
P3 F6 1.352(17) . ?
P3 F2 1.487(9) . ?
P3 F3 1.490(15) . ?
N2 C28 1.132(18) . ?
C28 C27 1.43(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2 0.9500 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C8 H8 0.9500 . ?
C9 C10 1.3900 . ?
C9 H9 0.9500 . ?
C10 C11 1.3900 . ?
C10 H10 0.9500 . ?
C11 C12 1.3900 . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 C17 1.3900 . ?
C16 H16 0.9500 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.3900 . ?
C21 H21 0.9500 . ?
C22 C23 1.3900 . ?
C22 H22 0.9500 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.27(2) 5_556 ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C25 1.27(2) 5_556 ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
 
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
O1 N1 Ru1 171.3(18) . . ?
N1 Ru1 N1 180.0(13) . 5_556 ?
N1 Ru1 Cl1 3.6(8) . 5_556 ?
N1 Ru1 Cl1 176.4(8) 5_556 5_556 ?
N1 Ru1 Cl1 176.4(8) . . ?
N1 Ru1 Cl1 3.6(8) 5_556 . ?
Cl1 Ru1 Cl1 180.0(4) 5_556 . ?
N1 Ru1 P2 90.6(6) . 5_556 ?
N1 Ru1 P2 89.4(6) 5_556 5_556 ?
Cl1 Ru1 P2 89.1(2) 5_556 5_556 ?
Cl1 Ru1 P2 90.9(2) . 5_556 ?
N1 Ru1 P2 89.4(6) . . ?
N1 Ru1 P2 90.6(6) 5_556 . ?
Cl1 Ru1 P2 90.9(2) 5_556 . ?
Cl1 Ru1 P2 89.1(2) . . ?
P2 Ru1 P2 180.00(15) 5_556 . ?
N1 Ru1 P1 86.5(6) . . ?
N1 Ru1 P1 93.5(6) 5_556 . ?
Cl1 Ru1 P1 89.44(19) 5_556 . ?
Cl1 Ru1 P1 90.56(19) . . ?
P2 Ru1 P1 80.70(9) 5_556 . ?
P2 Ru1 P1 99.30(9) . . ?
N1 Ru1 P1 93.5(6) . 5_556 ?
N1 Ru1 P1 86.5(6) 5_556 5_556 ?
Cl1 Ru1 P1 90.56(19) 5_556 5_556 ?
Cl1 Ru1 P1 89.44(19) . 5_556 ?
P2 Ru1 P1 99.30(9) 5_556 5_556 ?
P2 Ru1 P1 80.70(9) . 5_556 ?
P1 Ru1 P1 180.0 . 5_556 ?
C1 P1 C25 104.0(7) . . ?
C1 P1 C7 105.9(4) . . ?
C25 P1 C7 104.6(6) . . ?
C1 P1 Ru1 118.1(3) . . ?
C25 P1 Ru1 105.1(4) . . ?
C7 P1 Ru1 117.4(3) . . ?
C13 P2 C19 104.1(4) . . ?
C13 P2 C26 104.0(11) . . ?
C19 P2 C26 104.4(12) . . ?
C13 P2 Ru1 118.5(3) . . ?
C19 P2 Ru1 119.8(4) . . ?
C26 P2 Ru1 104.1(5) . . ?
F5 P3 F1 97.0(15) . . ?
F5 P3 F4 87.6(19) . . ?
F1 P3 F4 175.4(16) . . ?
F5 P3 F6 160(3) . . ?
F1 P3 F6 90.4(10) . . ?
F4 P3 F6 85.3(16) . . ?
F5 P3 F2 93.3(14) . . ?
F1 P3 F2 96.2(5) . . ?
F4 P3 F2 83.2(7) . . ?
F6 P3 F2 104(2) . . ?
F5 P3 F3 85(2) . . ?
F1 P3 F3 81.6(7) . . ?
F4 P3 F3 99.2(9) . . ?
F6 P3 F3 78(3) . . ?
F2 P3 F3 177.1(16) . . ?
N2 C28 C27 180(2) . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C2 C1 C6 120.0 . . ?
C2 C1 P1 119.2(5) . . ?
C6 C1 P1 120.7(5) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C4 C5 C6 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 120.5(5) . . ?
C12 C7 P1 119.3(5) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P2 118.8(5) . . ?
C18 C13 P2 121.0(5) . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 120.0(6) . . ?
C24 C19 P2 119.8(6) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 120.0 . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
C26 C25 P1 121.7(11) 5_556 . ?
C26 C25 H25A 106.9 5_556 . ?
P1 C25 H25A 106.9 . . ?
C26 C25 H25B 106.9 5_556 . ?
P1 C25 H25B 106.9 . . ?
H25A C25 H25B 106.7 . . ?
C25 C26 P2 122.7(13) 5_556 . ?
C25 C26 H26A 106.6 5_556 . ?
P2 C26 H26A 106.6 . . ?
C25 C26 H26B 106.6 5_556 . ?
P2 C26 H26B 106.6 . . ?
H26A C26 H26B 106.6 . . ?
 
_diffrn_measured_fraction_theta_max    0.989
_diffrn_reflns_theta_full              23.25
_diffrn_measured_fraction_theta_full   0.989
_refine_diff_density_max    1.869
_refine_diff_density_min   -1.378
_refine_diff_density_rms    0.146
