#------------------------------------------------------------------------------
#$Date: 2020-12-09 05:00:54 +0200 (Wed, 09 Dec 2020) $
#$Revision: 259682 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/58/7705836.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7705836
loop_
_publ_author_name
'Ou, Ya-Ping'
'Zhang, Jing'
'Hu, Yuxuan'
'Yin, Jun'
'Chi, Chunyan'
'Liu, Sheng Hua'
_publ_section_title
;
 Oxidized divinyl oligoacene-bridged diruthenium complexes: bridged
 localized radical characters and reduced aromaticity in bridge cores.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16877
_journal_page_last               16886
_journal_paper_doi               10.1039/d0dt02883e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C38 H66 Cl2 O2 P6 Ru2, C H2 Cl2'
_chemical_formula_sum            'C39 H68 Cl4 O2 P6 Ru2'
_chemical_formula_weight         1098.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2020-10-13
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-10-21 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.6870(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.7595(11)
_cell_length_b                   14.4168(11)
_cell_length_c                   31.0806(18)
_cell_measurement_reflns_used    7960
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.256
_cell_measurement_theta_min      2.530
_cell_volume                     10624.2(11)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_diffrn_ambient_temperature      298.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0542
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            56905
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         1.799
_exptl_absorpt_coefficient_mu    0.979
_exptl_absorpt_correction_T_max  0.9084
_exptl_absorpt_correction_T_min  0.8590
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_description       block
_exptl_crystal_F_000             4512
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         10979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0676P)²+0.5997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1051
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9027
_reflns_number_total             10979
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02883e2.cif
_cod_data_source_block           t
_cod_database_code               7705836
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.908
_shelx_estimated_absorpt_t_min   0.859
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C1(0.52889) H1A(0.52889) H1B(0.52889) H1C(0.52889) C2(0.52889)
 H2A(0.52889) H2B(0.52889) H2C(0.52889) C3(0.52889) H3A(0.52889) H3B(0.52889)
 H3C(0.52889) C1'(0.47111) H1'A(0.47111) H1'B(0.47111) H1'C(0.47111)
 C2'(0.47111) H2'A(0.47111) H2'B(0.47111) H2'C(0.47111) C3'(0.47111)
 H3'A(0.47111) H3'B(0.47111) H3'C(0.47111) C7(0.50923) H7A(0.50923)
 H7B(0.50923) H7C(0.50923) C8(0.50923) H8A(0.50923) H8B(0.50923) H8C(0.50923)
 C9(0.50923) H9A(0.50923) H9B(0.50923) H9C(0.50923) C7'(0.49077) H7'A(0.49077)
 H7'B(0.49077) H7'C(0.49077) C8'(0.49077) H8'A(0.49077) H8'B(0.49077)
 H8'C(0.49077) C9'(0.49077) H9'A(0.49077) H9'B(0.49077) H9'C(0.49077)
3.a Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C13(H13), C14(H14), C18(H18), C21(H21), C22(H22),
 C23(H23), C24(H24), C25(H25), C26(H26), C27(H27)
3.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C1'(H1'A,H1'B,H1'C),
 C2'(H2'A,H2'B,H2'C), C3'(H3'A,H3'B,H3'C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C),
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C7'(H7'A,
 H7'B,H7'C), C8'(H8'A,H8'B,H8'C), C9'(H9'A,H9'B,H9'C), C28(H28A,H28B,H28C),
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,
 H36B,H36C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.51966(2) 0.16542(2) 0.09073(2) 0.04834(8) Uani 1 1 d . . . . .
Ru2 Ru 0.14176(2) 0.13455(2) 0.31052(2) 0.04319(7) Uani 1 1 d . . . . .
C1 C 0.5436(9) 0.1840(12) 0.2005(5) 0.146(8) Uani 0.5289 1 d . . P A 1
H1A H 0.508224 0.167995 0.211850 0.218 Uiso 0.5289 1 calc GR . P A 1
H1B H 0.541707 0.246207 0.189505 0.218 Uiso 0.5289 1 calc GR . P A 1
H1C H 0.573092 0.179937 0.223078 0.218 Uiso 0.5289 1 calc GR . P A 1
C2 C 0.5300(7) -0.0001(11) 0.1735(6) 0.159(9) Uani 0.5289 1 d . . P A 1
H2A H 0.522730 0.007247 0.203306 0.239 Uiso 0.5289 1 calc GR . P A 1
H2B H 0.555755 -0.050736 0.170491 0.239 Uiso 0.5289 1 calc GR . P A 1
H2C H 0.495336 -0.012831 0.157008 0.239 Uiso 0.5289 1 calc GR . P A 1
C3 C 0.6362(7) 0.0808(14) 0.1697(7) 0.090(4) Uani 0.5289 1 d . . P A 1
H3A H 0.657823 0.128649 0.156902 0.136 Uiso 0.5289 1 calc GR . P A 1
H3B H 0.647360 0.021443 0.159134 0.136 Uiso 0.5289 1 calc GR . P A 1
H3C H 0.642855 0.082724 0.200437 0.136 Uiso 0.5289 1 calc GR . P A 1
C1' C 0.5321(8) 0.1263(12) 0.2038(5) 0.127(8) Uani 0.4711 1 d . . P A 2
H1'A H 0.495649 0.098102 0.205133 0.190 Uiso 0.4711 1 calc GR . P A 2
H1'B H 0.528561 0.192409 0.206401 0.190 Uiso 0.4711 1 calc GR . P A 2
H1'C H 0.556963 0.103236 0.226869 0.190 Uiso 0.4711 1 calc GR . P A 2
C2' C 0.5480(9) -0.0355(13) 0.1531(7) 0.136(7) Uani 0.4711 1 d . . P A 2
H2'A H 0.546181 -0.058874 0.181873 0.205 Uiso 0.4711 1 calc GR . P A 2
H2'B H 0.578849 -0.064199 0.139697 0.205 Uiso 0.4711 1 calc GR . P A 2
H2'C H 0.513340 -0.049481 0.136699 0.205 Uiso 0.4711 1 calc GR . P A 2
C3' C 0.6296(10) 0.1118(18) 0.1694(7) 0.133(10) Uani 0.4711 1 d . . P A 2
H3'A H 0.639484 0.176363 0.169599 0.199 Uiso 0.4711 1 calc GR . P A 2
H3'B H 0.651196 0.079578 0.148990 0.199 Uiso 0.4711 1 calc GR . P A 2
H3'C H 0.637624 0.086096 0.197595 0.199 Uiso 0.4711 1 calc GR . P A 2
C4 C 0.66237(15) 0.2451(3) 0.07725(15) 0.1044(13) Uani 1 1 d . . . . .
H4A H 0.667174 0.237271 0.107941 0.157 Uiso 1 1 calc GR . . . .
H4B H 0.651903 0.308146 0.070754 0.157 Uiso 1 1 calc GR . . . .
H4C H 0.697118 0.230920 0.064540 0.157 Uiso 1 1 calc GR . . . .
C5 C 0.60788(18) 0.1936(5) -0.00216(13) 0.138(2) Uani 1 1 d . . . . .
H5A H 0.645923 0.191231 -0.010809 0.207 Uiso 1 1 calc GR . . . .
H5B H 0.592686 0.254485 -0.007606 0.207 Uiso 1 1 calc GR . . . .
H5C H 0.585351 0.148732 -0.018288 0.207 Uiso 1 1 calc GR . . . .
C6 C 0.64439(18) 0.0574(3) 0.05647(16) 0.1222(17) Uani 1 1 d . . . . .
H6A H 0.625516 0.015479 0.036315 0.183 Uiso 1 1 calc GR . . . .
H6B H 0.644881 0.031375 0.084927 0.183 Uiso 1 1 calc GR . . . .
H6C H 0.682396 0.066956 0.048658 0.183 Uiso 1 1 calc GR . . . .
C7 C 0.3950(10) 0.293(2) 0.0511(8) 0.077(3) Uani 0.5092 1 d . . P B 1
H7A H 0.376062 0.319915 0.025863 0.116 Uiso 0.5092 1 calc GR . P B 1
H7B H 0.401637 0.340545 0.072638 0.116 Uiso 0.5092 1 calc GR . P B 1
H7C H 0.371906 0.245352 0.062234 0.116 Uiso 0.5092 1 calc GR . P B 1
C8 C 0.4962(4) 0.3660(6) 0.0239(4) 0.111(3) Uani 0.5092 1 d . . P B 1
H8A H 0.530486 0.357059 0.009681 0.166 Uiso 0.5092 1 calc GR . P B 1
H8B H 0.504199 0.399704 0.050230 0.166 Uiso 0.5092 1 calc GR . P B 1
H8C H 0.469901 0.400517 0.005424 0.166 Uiso 0.5092 1 calc GR . P B 1
C9 C 0.4505(5) 0.2033(8) -0.0137(3) 0.112(3) Uani 0.5092 1 d . . P B 1
H9A H 0.439258 0.139443 -0.012796 0.169 Uiso 0.5092 1 calc GR . P B 1
H9B H 0.484164 0.208639 -0.029037 0.169 Uiso 0.5092 1 calc GR . P B 1
H9C H 0.420927 0.239183 -0.028123 0.169 Uiso 0.5092 1 calc GR . P B 1
C7' C 0.4094(10) 0.303(3) 0.0553(10) 0.122(10) Uani 0.4908 1 d . . P B 2
H7'A H 0.383166 0.318233 0.031569 0.182 Uiso 0.4908 1 calc GR . P B 2
H7'B H 0.423309 0.358705 0.068953 0.182 Uiso 0.4908 1 calc GR . P B 2
H7'C H 0.390826 0.265729 0.075728 0.182 Uiso 0.4908 1 calc GR . P B 2
C8' C 0.4856(5) 0.2959(12) -0.0071(4) 0.151(5) Uani 0.4908 1 d . . P B 2
H8'A H 0.524044 0.278789 -0.010756 0.227 Uiso 0.4908 1 calc GR . P B 2
H8'B H 0.483062 0.361924 -0.003848 0.227 Uiso 0.4908 1 calc GR . P B 2
H8'C H 0.462415 0.276831 -0.032031 0.227 Uiso 0.4908 1 calc GR . P B 2
C9' C 0.4168(4) 0.1419(9) 0.0041(3) 0.130(4) Uani 0.4908 1 d . . P B 2
H9'A H 0.384761 0.169714 -0.011324 0.195 Uiso 0.4908 1 calc GR . P B 2
H9'B H 0.404089 0.097159 0.024180 0.195 Uiso 0.4908 1 calc GR . P B 2
H9'C H 0.439896 0.111797 -0.015915 0.195 Uiso 0.4908 1 calc GR . P B 2
C10 C 0.44611(10) 0.16560(18) 0.12465(8) 0.0485(6) Uani 1 1 d . . . . .
H10 H 0.442639 0.216210 0.142838 0.058 Uiso 1 1 calc R . . . .
C11 C 0.40350(11) 0.10540(19) 0.12452(8) 0.0530(6) Uani 1 1 d . . . . .
H11 H 0.405689 0.052881 0.107329 0.064 Uiso 1 1 calc R . . . .
C12 C 0.35301(10) 0.11564(17) 0.14959(8) 0.0480(6) Uani 1 1 d . . . . .
C13 C 0.35650(11) 0.14776(19) 0.19097(8) 0.0513(6) Uani 1 1 d . . . . .
H13 H 0.391694 0.163321 0.203756 0.062 Uiso 1 1 calc R . . . .
C14 C 0.30853(11) 0.15816(18) 0.21500(9) 0.0532(6) Uani 1 1 d . . . . .
H14 H 0.313036 0.183272 0.242568 0.064 Uiso 1 1 calc R . . . .
C15 C 0.25591(11) 0.13288(17) 0.19943(8) 0.0500(6) Uani 1 1 d . . . . .
C16 C 0.24936(10) 0.09746(17) 0.15591(8) 0.0477(6) Uani 1 1 d . . . . .
C17 C 0.29839(10) 0.09105(17) 0.13070(8) 0.0470(5) Uani 1 1 d . . . . .
C18 C 0.29081(11) 0.06355(19) 0.08781(8) 0.0556(6) Uani 1 1 d . . . . .
H18 H 0.322090 0.061670 0.071316 0.067 Uiso 1 1 calc R . . . .
C19 C 0.23857(12) 0.0388(2) 0.06853(9) 0.0585(7) Uani 1 1 d . . . . .
C20 C 0.19051(12) 0.0404(2) 0.09390(9) 0.0597(7) Uani 1 1 d . . . . .
C21 C 0.19759(11) 0.0695(2) 0.13653(9) 0.0592(7) Uani 1 1 d . . . . .
H21 H 0.166229 0.070260 0.152954 0.071 Uiso 1 1 calc R . . . .
C22 C 0.13720(14) 0.0148(3) 0.07374(12) 0.0817(10) Uani 1 1 d . . . . .
H22 H 0.105386 0.014184 0.089679 0.098 Uiso 1 1 calc R . . . .
C23 C 0.13270(17) -0.0087(3) 0.03146(14) 0.0958(12) Uani 1 1 d . . . . .
H23 H 0.097441 -0.023888 0.018671 0.115 Uiso 1 1 calc R . . . .
C24 C 0.17999(17) -0.0107(3) 0.00630(12) 0.0928(11) Uani 1 1 d . . . . .
H24 H 0.175934 -0.027286 -0.022649 0.111 Uiso 1 1 calc R . . . .
C25 C 0.23082(15) 0.0116(3) 0.02450(10) 0.0789(9) Uani 1 1 d . . . . .
H25 H 0.261973 0.009250 0.007887 0.095 Uiso 1 1 calc R . . . .
C26 C 0.20660(12) 0.14218(19) 0.22597(9) 0.0556(6) Uani 1 1 d . . . . .
H26 H 0.171871 0.154411 0.211559 0.067 Uiso 1 1 calc R . . . .
C27 C 0.20782(11) 0.13447(17) 0.26882(9) 0.0503(6) Uani 1 1 d . . . . .
H27 H 0.243669 0.128042 0.282353 0.060 Uiso 1 1 calc R . . . .
C28 C 0.23996(18) 0.3156(3) 0.31691(15) 0.1074(14) Uani 1 1 d . . . . .
H28A H 0.246192 0.309067 0.286847 0.161 Uiso 1 1 calc GR . . . .
H28B H 0.264046 0.273484 0.333400 0.161 Uiso 1 1 calc GR . . . .
H28C H 0.248320 0.378100 0.325889 0.161 Uiso 1 1 calc GR . . . .
C29 C 0.1301(3) 0.3787(3) 0.29362(19) 0.138(2) Uani 1 1 d . . . . .
H29A H 0.146027 0.438175 0.301018 0.207 Uiso 1 1 calc GR . . . .
H29B H 0.090849 0.378309 0.299360 0.207 Uiso 1 1 calc GR . . . .
H29C H 0.133885 0.366671 0.263567 0.207 Uiso 1 1 calc GR . . . .
C30 C 0.1658(2) 0.3284(3) 0.38142(13) 0.1160(17) Uani 1 1 d . . . . .
H30A H 0.184643 0.387134 0.384579 0.174 Uiso 1 1 calc GR . . . .
H30B H 0.184799 0.283638 0.400060 0.174 Uiso 1 1 calc GR . . . .
H30C H 0.127466 0.334801 0.389000 0.174 Uiso 1 1 calc GR . . . .
C31 C 0.02264(16) 0.2342(3) 0.36154(14) 0.1019(13) Uani 1 1 d . . . . .
H31A H 0.011242 0.257675 0.333409 0.153 Uiso 1 1 calc GR . . . .
H31B H 0.045051 0.279982 0.377164 0.153 Uiso 1 1 calc GR . . . .
H31C H -0.010184 0.220437 0.376837 0.153 Uiso 1 1 calc GR . . . .
C32 C 0.07783(18) 0.0935(4) 0.41212(10) 0.1043(14) Uani 1 1 d . . . . .
H32A H 0.042989 0.091780 0.426126 0.156 Uiso 1 1 calc GR . . . .
H32B H 0.103007 0.137095 0.426631 0.156 Uiso 1 1 calc GR . . . .
H32C H 0.094730 0.032987 0.413100 0.156 Uiso 1 1 calc GR . . . .
C33 C 0.00630(13) 0.0517(3) 0.33869(13) 0.0913(11) Uani 1 1 d . . . . .
H33A H -0.026024 0.065421 0.354578 0.137 Uiso 1 1 calc GR . . . .
H33B H 0.017538 -0.011492 0.343798 0.137 Uiso 1 1 calc GR . . . .
H33C H -0.003048 0.060639 0.308464 0.137 Uiso 1 1 calc GR . . . .
C34 C 0.2115(2) -0.0717(3) 0.28512(16) 0.1180(17) Uani 1 1 d . . . . .
H34A H 0.210388 -0.138225 0.285051 0.177 Uiso 1 1 calc GR . . . .
H34B H 0.238986 -0.050763 0.307006 0.177 Uiso 1 1 calc GR . . . .
H34C H 0.221718 -0.049924 0.257470 0.177 Uiso 1 1 calc GR . . . .
C35 C 0.0988(3) -0.0666(3) 0.25047(17) 0.155(2) Uani 1 1 d . . . . .
H35A H 0.100651 -0.133067 0.249115 0.233 Uiso 1 1 calc GR . . . .
H35B H 0.112166 -0.040697 0.224558 0.233 Uiso 1 1 calc GR . . . .
H35C H 0.060514 -0.047695 0.253338 0.233 Uiso 1 1 calc GR . . . .
C36 C 0.12552(19) -0.1032(2) 0.33996(14) 0.0990(13) Uani 1 1 d . . . . .
H36A H 0.085344 -0.106571 0.341509 0.148 Uiso 1 1 calc GR . . . .
H36B H 0.142307 -0.079761 0.366693 0.148 Uiso 1 1 calc GR . . . .
H36C H 0.140092 -0.164037 0.334755 0.148 Uiso 1 1 calc GR . . . .
C37 C 0.50104(13) 0.0518(3) 0.06813(12) 0.0795(10) Uani 1 1 d . . . . .
C38 C 0.09341(12) 0.1670(2) 0.26565(9) 0.0594(7) Uani 1 1 d . . . . .
C39 C 0.2226(4) 0.3242(6) 0.1066(3) 0.211(4) Uani 1 1 d . . . . .
H39A H 0.238071 0.384798 0.114113 0.253 Uiso 1 1 calc R . . . .
H39B H 0.246062 0.278351 0.121948 0.253 Uiso 1 1 calc R . . . .
Cl1 Cl 0.53999(5) 0.31958(7) 0.12140(5) 0.1160(4) Uani 1 1 d . . . . .
Cl2 Cl 0.21103(3) 0.09441(6) 0.37061(2) 0.0710(2) Uani 1 1 d . . . . .
Cl3 Cl 0.22730(13) 0.3083(2) 0.05476(12) 0.2670(14) Uani 1 1 d . . . . .
Cl4 Cl 0.15840(14) 0.31790(16) 0.12412(10) 0.2476(13) Uani 1 1 d . . . . .
O1 O 0.48796(14) -0.0181(2) 0.05527(13) 0.1412(14) Uani 1 1 d . . . . .
O2 O 0.06398(10) 0.1901(2) 0.23685(8) 0.0964(8) Uani 1 1 d . . . . .
P1 P 0.55921(4) 0.09988(8) 0.15496(3) 0.0812(3) Uani 1 1 d . . . . .
P2 P 0.60727(3) 0.16754(7) 0.05551(3) 0.0679(2) Uani 1 1 d . . . . .
P3 P 0.46313(4) 0.24333(9) 0.03709(3) 0.0885(3) Uani 1 1 d . . . . .
P4 P 0.16680(4) 0.28955(5) 0.32558(3) 0.0687(2) Uani 1 1 d . . . . .
P5 P 0.06410(3) 0.12881(6) 0.35621(2) 0.05903(19) Uani 1 1 d . . . . .
P6 P 0.14221(4) -0.02615(5) 0.29619(3) 0.0702(2) Uani 1 1 d . . . . .
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'
O O 0.0106 0.0060 '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'
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
C10 Ru1 Cl1 87.32(7) . . ?
C10 Ru1 P1 82.77(7) . . ?
C10 Ru1 P2 176.73(7) . . ?
C10 Ru1 P3 84.24(7) . . ?
C37 Ru1 C10 90.30(11) . . ?
C37 Ru1 Cl1 177.33(10) . . ?
C37 Ru1 P1 92.28(13) . . ?
C37 Ru1 P2 91.81(9) . . ?
C37 Ru1 P3 92.43(13) . . ?
P1 Ru1 Cl1 88.64(5) . . ?
P1 Ru1 P2 94.65(3) . . ?
P1 Ru1 P3 166.20(3) . . ?
P2 Ru1 Cl1 90.62(3) . . ?
P3 Ru1 Cl1 86.11(5) . . ?
P3 Ru1 P2 98.16(3) . . ?
C27 Ru2 Cl2 88.77(8) . . ?
C27 Ru2 P4 86.20(7) . . ?
C27 Ru2 P5 177.27(8) . . ?
C27 Ru2 P6 82.54(7) . . ?
C38 Ru2 C27 89.26(11) . . ?
C38 Ru2 Cl2 177.54(9) . . ?
C38 Ru2 P4 92.73(10) . . ?
C38 Ru2 P5 89.47(9) . . ?
C38 Ru2 P6 96.81(10) . . ?
P4 Ru2 Cl2 85.68(3) . . ?
P4 Ru2 P5 96.27(3) . . ?
P4 Ru2 P6 165.12(3) . . ?
P5 Ru2 Cl2 92.56(3) . . ?
P6 Ru2 Cl2 84.38(3) . . ?
P6 Ru2 P5 95.21(3) . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H1'A C1' H1'B 109.5 . . ?
H1'A C1' H1'C 109.5 . . ?
H1'B C1' H1'C 109.5 . . ?
P1 C1' H1'A 109.5 . . ?
P1 C1' H1'B 109.5 . . ?
P1 C1' H1'C 109.5 . . ?
H2'A C2' H2'B 109.5 . . ?
H2'A C2' H2'C 109.5 . . ?
H2'B C2' H2'C 109.5 . . ?
P1 C2' H2'A 109.5 . . ?
P1 C2' H2'B 109.5 . . ?
P1 C2' H2'C 109.5 . . ?
H3'A C3' H3'B 109.5 . . ?
H3'A C3' H3'C 109.5 . . ?
H3'B C3' H3'C 109.5 . . ?
P1 C3' H3'A 109.5 . . ?
P1 C3' H3'B 109.5 . . ?
P1 C3' H3'C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
P2 C4 H4A 109.5 . . ?
P2 C4 H4B 109.5 . . ?
P2 C4 H4C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P3 C7 H7A 109.5 . . ?
P3 C7 H7B 109.5 . . ?
P3 C7 H7C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P3 C8 H8A 109.5 . . ?
P3 C8 H8B 109.5 . . ?
P3 C8 H8C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P3 C9 H9A 109.5 . . ?
P3 C9 H9B 109.5 . . ?
P3 C9 H9C 109.5 . . ?
H7'A C7' H7'B 109.5 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
P3 C7' H7'A 109.5 . . ?
P3 C7' H7'B 109.5 . . ?
P3 C7' H7'C 109.5 . . ?
H8'A C8' H8'B 109.5 . . ?
H8'A C8' H8'C 109.5 . . ?
H8'B C8' H8'C 109.5 . . ?
P3 C8' H8'A 109.5 . . ?
P3 C8' H8'B 109.5 . . ?
P3 C8' H8'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
P3 C9' H9'A 109.5 . . ?
P3 C9' H9'B 109.5 . . ?
P3 C9' H9'C 109.5 . . ?
Ru1 C10 H10 114.6 . . ?
C11 C10 Ru1 130.89(19) . . ?
C11 C10 H10 114.6 . . ?
C10 C11 H11 117.5 . . ?
C10 C11 C12 125.1(2) . . ?
C12 C11 H11 117.5 . . ?
C13 C12 C11 121.9(2) . . ?
C13 C12 C17 117.9(2) . . ?
C17 C12 C11 120.2(2) . . ?
C12 C13 H13 118.9 . . ?
C12 C13 C14 122.2(3) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 H14 118.7 . . ?
C15 C14 C13 122.6(3) . . ?
C15 C14 H14 118.7 . . ?
C14 C15 C16 117.9(2) . . ?
C14 C15 C26 121.3(2) . . ?
C16 C15 C26 120.8(2) . . ?
C15 C16 C17 119.2(2) . . ?
C21 C16 C15 123.1(2) . . ?
C21 C16 C17 117.8(2) . . ?
C12 C17 C16 120.1(2) . . ?
C18 C17 C12 121.4(2) . . ?
C18 C17 C16 118.5(2) . . ?
C17 C18 H18 118.5 . . ?
C19 C18 C17 122.9(2) . . ?
C19 C18 H18 118.5 . . ?
C18 C19 C20 118.7(2) . . ?
C18 C19 C25 122.8(3) . . ?
C25 C19 C20 118.4(3) . . ?
C21 C20 C19 118.6(3) . . ?
C21 C20 C22 123.2(3) . . ?
C22 C20 C19 118.2(3) . . ?
C16 C21 H21 118.4 . . ?
C20 C21 C16 123.3(2) . . ?
C20 C21 H21 118.4 . . ?
C20 C22 H22 119.9 . . ?
C23 C22 C20 120.2(3) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.1 . . ?
C22 C23 C24 121.8(4) . . ?
C24 C23 H23 119.1 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.3(3) . . ?
C25 C24 H24 120.3 . . ?
C19 C25 H25 119.0 . . ?
C24 C25 C19 122.0(3) . . ?
C24 C25 H25 119.0 . . ?
C15 C26 H26 117.3 . . ?
C27 C26 C15 125.5(3) . . ?
C27 C26 H26 117.3 . . ?
Ru2 C27 H27 114.8 . . ?
C26 C27 Ru2 130.3(2) . . ?
C26 C27 H27 114.8 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
P4 C28 H28A 109.5 . . ?
P4 C28 H28B 109.5 . . ?
P4 C28 H28C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
P4 C29 H29A 109.5 . . ?
P4 C29 H29B 109.5 . . ?
P4 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P4 C30 H30A 109.5 . . ?
P4 C30 H30B 109.5 . . ?
P4 C30 H30C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P5 C31 H31A 109.5 . . ?
P5 C31 H31B 109.5 . . ?
P5 C31 H31C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
P5 C32 H32A 109.5 . . ?
P5 C32 H32B 109.5 . . ?
P5 C32 H32C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
P5 C33 H33A 109.5 . . ?
P5 C33 H33B 109.5 . . ?
P5 C33 H33C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
P6 C34 H34A 109.5 . . ?
P6 C34 H34B 109.5 . . ?
P6 C34 H34C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
P6 C35 H35A 109.5 . . ?
P6 C35 H35B 109.5 . . ?
P6 C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P6 C36 H36A 109.5 . . ?
P6 C36 H36B 109.5 . . ?
P6 C36 H36C 109.5 . . ?
O1 C37 Ru1 177.3(3) . . ?
O2 C38 Ru2 177.6(3) . . ?
H39A C39 H39B 107.4 . . ?
Cl3 C39 H39A 108.3 . . ?
Cl3 C39 H39B 108.3 . . ?
Cl3 C39 Cl4 116.0(6) . . ?
Cl4 C39 H39A 108.3 . . ?
Cl4 C39 H39B 108.3 . . ?
C1 P1 Ru1 106.7(5) . . ?
C2 P1 Ru1 118.4(6) . . ?
C2 P1 C1 100.5(7) . . ?
C2 P1 C3 101.8(8) . . ?
C3 P1 Ru1 126.6(6) . . ?
C3 P1 C1 98.3(9) . . ?
C1' P1 Ru1 120.4(6) . . ?
C1' P1 C2' 100.8(8) . . ?
C2' P1 Ru1 109.1(7) . . ?
C3' P1 Ru1 120.8(7) . . ?
C3' P1 C1' 99.3(11) . . ?
C3' P1 C2' 103.6(11) . . ?
C4 P2 Ru1 117.41(14) . . ?
C4 P2 C5 100.8(2) . . ?
C5 P2 Ru1 120.50(14) . . ?
C6 P2 Ru1 114.43(15) . . ?
C6 P2 C4 101.2(2) . . ?
C6 P2 C5 99.3(2) . . ?
C7 P3 Ru1 119.1(9) . . ?
C7 P3 C8 93.8(10) . . ?
C8 P3 Ru1 110.8(3) . . ?
C9 P3 Ru1 123.9(3) . . ?
C9 P3 C7 104.4(9) . . ?
C9 P3 C8 99.2(5) . . ?
C7' P3 Ru1 114.8(12) . . ?
C7' P3 C8' 109.5(14) . . ?
C7' P3 C9' 97.9(11) . . ?
C8' P3 Ru1 126.5(4) . . ?
C8' P3 C9' 95.7(7) . . ?
C9' P3 Ru1 106.0(3) . . ?
C28 P4 Ru2 113.55(14) . . ?
C28 P4 C30 98.6(2) . . ?
C29 P4 Ru2 117.23(17) . . ?
C29 P4 C28 101.8(2) . . ?
C29 P4 C30 105.6(2) . . ?
C30 P4 Ru2 117.52(14) . . ?
C31 P5 Ru2 117.71(14) . . ?
C32 P5 Ru2 118.49(13) . . ?
C32 P5 C31 102.2(2) . . ?
C32 P5 C33 101.5(2) . . ?
C33 P5 Ru2 115.93(13) . . ?
C33 P5 C31 97.7(2) . . ?
C34 P6 Ru2 113.79(14) . . ?
C35 P6 Ru2 117.29(18) . . ?
C35 P6 C34 102.3(3) . . ?
C35 P6 C36 104.5(2) . . ?
C36 P6 Ru2 117.04(13) . . ?
C36 P6 C34 99.44(19) . . ?
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
Ru1 C10 2.098(2) . ?
Ru1 C37 1.826(4) . ?
Ru1 Cl1 2.4539(10) . ?
Ru1 P1 2.3494(9) . ?
Ru1 P2 2.4135(7) . ?
Ru1 P3 2.3574(9) . ?
Ru2 C27 2.099(2) . ?
Ru2 C38 1.810(3) . ?
Ru2 Cl2 2.4770(8) . ?
Ru2 P4 2.3518(8) . ?
Ru2 P5 2.4010(7) . ?
Ru2 P6 2.3594(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 P1 1.919(17) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C2 P1 1.715(15) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C3 P1 1.877(16) . ?
C1' H1'A 0.9600 . ?
C1' H1'B 0.9600 . ?
C1' H1'C 0.9600 . ?
C1' P1 1.728(15) . ?
C2' H2'A 0.9600 . ?
C2' H2'B 0.9600 . ?
C2' H2'C 0.9600 . ?
C2' P1 1.971(19) . ?
C3' H3'A 0.9600 . ?
C3' H3'B 0.9600 . ?
C3' H3'C 0.9600 . ?
C3' P1 1.71(2) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C4 P2 1.819(4) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 P2 1.832(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C6 P2 1.816(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 P3 1.850(19) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 P3 1.989(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 P3 1.689(8) . ?
C7' H7'A 0.9600 . ?
C7' H7'B 0.9600 . ?
C7' H7'C 0.9600 . ?
C7' P3 1.67(2) . ?
C8' H8'A 0.9600 . ?
C8' H8'B 0.9600 . ?
C8' H8'C 0.9600 . ?
C8' P3 1.686(9) . ?
C9' H9'A 0.9600 . ?
C9' H9'B 0.9600 . ?
C9' H9'C 0.9600 . ?
C9' P3 2.063(11) . ?
C10 H10 0.9300 . ?
C10 C11 1.333(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.479(3) . ?
C12 C13 1.364(4) . ?
C12 C17 1.434(4) . ?
C13 H13 0.9300 . ?
C13 C14 1.410(4) . ?
C14 H14 0.9300 . ?
C14 C15 1.361(4) . ?
C15 C16 1.445(4) . ?
C15 C26 1.482(3) . ?
C16 C17 1.448(3) . ?
C16 C21 1.394(4) . ?
C17 C18 1.391(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.390(4) . ?
C19 C20 1.429(4) . ?
C19 C25 1.424(4) . ?
C20 C21 1.389(4) . ?
C20 C22 1.425(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.355(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.410(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.339(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.335(4) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C28 P4 1.815(4) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29 P4 1.813(4) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30 P4 1.825(4) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C31 P5 1.824(4) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C32 P5 1.820(3) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C33 P5 1.822(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C34 P6 1.826(4) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C35 P6 1.798(5) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 P6 1.820(4) . ?
C37 O1 1.120(4) . ?
C38 O2 1.149(4) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 Cl3 1.639(9) . ?
C39 Cl4 1.655(9) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1B Cl1 0.96 2.36 3.139(13) 137.4 . yes
C8 H8B Cl1 0.96 2.59 3.211(11) 122.6 . yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 C10 C11 C12 -178.4(2) . . . . ?
C10 C11 C12 C13 -40.6(4) . . . . ?
C10 C11 C12 C17 139.8(3) . . . . ?
C11 C12 C13 C14 179.7(3) . . . . ?
C11 C12 C17 C16 177.4(2) . . . . ?
C11 C12 C17 C18 -4.6(4) . . . . ?
C12 C13 C14 C15 3.2(4) . . . . ?
C12 C17 C18 C19 179.6(2) . . . . ?
C13 C12 C17 C16 -2.2(4) . . . . ?
C13 C12 C17 C18 175.7(2) . . . . ?
C13 C14 C15 C16 -2.4(4) . . . . ?
C13 C14 C15 C26 178.2(2) . . . . ?
C14 C15 C16 C17 -0.5(4) . . . . ?
C14 C15 C16 C21 -180.0(2) . . . . ?
C14 C15 C26 C27 -31.3(4) . . . . ?
C15 C16 C17 C12 2.8(3) . . . . ?
C15 C16 C17 C18 -175.2(2) . . . . ?
C15 C16 C21 C20 176.2(3) . . . . ?
C15 C26 C27 Ru2 -174.3(2) . . . . ?
C16 C15 C26 C27 149.3(3) . . . . ?
C16 C17 C18 C19 -2.4(4) . . . . ?
C17 C12 C13 C14 -0.7(4) . . . . ?
C17 C16 C21 C20 -3.3(4) . . . . ?
C17 C18 C19 C20 -0.8(4) . . . . ?
C17 C18 C19 C25 179.3(3) . . . . ?
C18 C19 C20 C21 2.0(4) . . . . ?
C18 C19 C20 C22 -180.0(3) . . . . ?
C18 C19 C25 C24 -178.9(3) . . . . ?
C19 C20 C21 C16 0.2(4) . . . . ?
C19 C20 C22 C23 -1.2(5) . . . . ?
C20 C19 C25 C24 1.2(5) . . . . ?
C20 C22 C23 C24 1.4(7) . . . . ?
C21 C16 C17 C12 -177.7(2) . . . . ?
C21 C16 C17 C18 4.3(4) . . . . ?
C21 C20 C22 C23 176.8(3) . . . . ?
C22 C20 C21 C16 -177.8(3) . . . . ?
C22 C23 C24 C25 -0.3(7) . . . . ?
C23 C24 C25 C19 -1.0(6) . . . . ?
C25 C19 C20 C21 -178.2(3) . . . . ?
C25 C19 C20 C22 -0.1(4) . . . . ?
C26 C15 C16 C17 178.8(2) . . . . ?
C26 C15 C16 C21 -0.6(4) . . . . ?
