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#$Date: 2024-04-05 02:23:14 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290929 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/53/7715300.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_7715300
loop_
_publ_author_name
'Sanderson, Hugh J.'
'Kociok-Köhn, Gabriele'
'McMullin, Claire L.'
'Hintermair, Ulrich'
_publ_section_title
;
 Twinned versus linked organometallics - bimetallic "half-baguette"
 pentalenide complexes of Rh(I).
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5881
_journal_page_last               5899
_journal_paper_doi               10.1039/d3dt04325h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '2(C70 H52 O8 P2 Rh2), 3(C4 H8 O)'
_chemical_formula_sum            'C152 H128 O19 P4 Rh4'
_chemical_formula_weight         2794.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-11-20 deposited with the CCDC.	2024-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.3340(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.00549(11)
_cell_length_b                   19.39104(14)
_cell_length_c                   23.86254(18)
_cell_measurement_reflns_used    33172
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      72.8010
_cell_measurement_theta_min      4.2610
_cell_volume                     6219.05(9)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
 'WinGX publication routines, Farrugia, 
 L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
 SHELXL-2018/3 (Sheldrick, 2018)
 Sheldrick GM (2008) Acta Crystallogr A64:112--122 and 
 C. B. Hübschle, G. M. Sheldrick and B. Dittrich
 ShelXle: a Qt graphical user interface for SHELXL
 J. Appl. Cryst., 44, (2011) 1281-1284.
;
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            61512
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.007
_diffrn_reflns_theta_min         3.861
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.282
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_description       plate
_exptl_crystal_F_000             2864
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.528
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     961
_refine_ls_number_reflns         12365
_refine_ls_number_restraints     216
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0296P)²+4.1254P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11205
_reflns_number_total             12365
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt04325h2.cif
_cod_data_source_block           s23uh3
_cod_depositor_comments
'Adding full bibliography for 7715294--7715303.cif.'
_cod_original_cell_volume        6219.04(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7715300
_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_min   0.505
_shelx_estimated_absorpt_t_max   0.858
_oxdiff_exptl_absorpt_empirical_full_min 0.855
_oxdiff_exptl_absorpt_empirical_full_max 1.590
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Rh1 Rh 0.18548(2) 0.42432(2) 0.33179(2) 0.02099(5) Uani 1 1 d . . . . .
Rh2 Rh 0.34439(2) 0.49492(2) 0.29414(2) 0.01760(5) Uani 1 1 d . . . . .
O1 O 0.09394(16) 0.35191(12) 0.21891(9) 0.0384(5) Uani 1 1 d . . . . .
O2 O 0.2429(2) 0.63110(12) 0.26577(13) 0.0588(8) Uani 1 1 d . . . . .
O3 O -0.01538(15) 0.45750(10) 0.36675(9) 0.0321(4) Uani 1 1 d . . . . .
O4 O 0.05504(13) 0.56199(10) 0.33834(8) 0.0288(4) Uani 1 1 d . . . . .
O5 O -0.04281(14) 0.47712(11) 0.26409(9) 0.0338(4) Uani 1 1 d . . . . .
O6 O 0.27185(15) 0.40407(10) 0.17836(8) 0.0285(4) Uani 1 1 d . . . . .
O7 O 0.41200(16) 0.48094(16) 0.17315(9) 0.0508(7) Uani 1 1 d . . . . .
O8 O 0.24499(16) 0.52790(10) 0.15535(9) 0.0353(5) Uani 1 1 d . . . . .
P1 P 0.04841(4) 0.48142(3) 0.32330(3) 0.02316(13) Uani 1 1 d . . . . .
P2 P 0.31993(4) 0.47750(3) 0.20070(3) 0.02157(12) Uani 1 1 d . . . . .
C1 C 0.25122(19) 0.37832(15) 0.41846(11) 0.0271(5) Uani 1 1 d . . . . .
H1 H 0.209167 0.356277 0.438030 0.032 Uiso 1 1 calc R U . . .
C2 C 0.29690(17) 0.34463(13) 0.37978(11) 0.0231(5) Uani 1 1 d . . . . .
C3 C 0.2911(2) 0.26922(14) 0.37052(11) 0.0298(6) Uani 1 1 d . . . . .
C4 C 0.2005(3) 0.23444(19) 0.36213(13) 0.0442(8) Uani 1 1 d . . . . .
H4 H 0.140950 0.259647 0.358739 0.053 Uiso 1 1 calc R U . . .
C5 C 0.1981(4) 0.1630(2) 0.35880(15) 0.0640(14) Uani 1 1 d . . . . .
H5 H 0.136525 0.139589 0.353296 0.077 Uiso 1 1 calc R U . . .
C6 C 0.2832(4) 0.12529(19) 0.36330(17) 0.0658(14) Uani 1 1 d . . . . .
H6 H 0.280372 0.076391 0.361027 0.079 Uiso 1 1 calc R U . . .
C7 C 0.3730(4) 0.15911(17) 0.37117(15) 0.0531(10) Uani 1 1 d . . . . .
H7 H 0.431966 0.133546 0.373809 0.064 Uiso 1 1 calc R U . . .
C8 C 0.3766(2) 0.23051(15) 0.37519(12) 0.0353(6) Uani 1 1 d . . . . .
H8 H 0.438681 0.253389 0.381239 0.042 Uiso 1 1 calc R U . . .
C9 C 0.36226(17) 0.39554(12) 0.36498(10) 0.0199(5) Uani 1 1 d . . . . .
C10 C 0.43896(17) 0.40401(12) 0.33542(10) 0.0202(5) Uani 1 1 d . . . . .
C11 C 0.47712(19) 0.34995(13) 0.30358(12) 0.0243(5) Uani 1 1 d . . . . .
C12 C 0.41329(19) 0.30538(13) 0.26491(11) 0.0252(5) Uani 1 1 d . . . . .
H12 H 0.343461 0.309694 0.258449 0.030 Uiso 1 1 calc R U . . .
C13 C 0.4501(2) 0.25485(15) 0.23571(13) 0.0347(6) Uani 1 1 d . . . . .
H13 H 0.405477 0.224647 0.209614 0.042 Uiso 1 1 calc R U . . .
C14 C 0.5508(3) 0.24806(19) 0.2442(2) 0.0553(10) Uani 1 1 d . . . . .
H14 H 0.575977 0.213815 0.223671 0.066 Uiso 1 1 calc R U . . .
C15 C 0.6150(3) 0.2915(2) 0.2829(3) 0.0768(17) Uani 1 1 d . . . . .
H15 H 0.684740 0.286774 0.289140 0.092 Uiso 1 1 calc R U . . .
C16 C 0.5788(2) 0.34186(19) 0.3126(2) 0.0535(10) Uani 1 1 d . . . . .
H16 H 0.623870 0.371119 0.339398 0.064 Uiso 1 1 calc R U . . .
C17 C 0.48850(17) 0.46827(12) 0.35617(10) 0.0208(5) Uani 1 1 d . . . . .
H17 H 0.548532 0.483718 0.349224 0.025 Uiso 1 1 calc R U . . .
C18 C 0.43348(17) 0.50518(13) 0.38880(10) 0.0209(5) Uani 1 1 d . . . . .
C19 C 0.46588(18) 0.57208(13) 0.41794(11) 0.0241(5) Uani 1 1 d . . . . .
C20 C 0.5077(2) 0.62258(15) 0.39046(12) 0.0327(6) Uani 1 1 d . . . . .
H20 H 0.513328 0.614478 0.352248 0.039 Uiso 1 1 calc R U . . .
C21 C 0.5413(3) 0.68458(16) 0.41832(14) 0.0413(7) Uani 1 1 d . . . . .
H21 H 0.570064 0.718411 0.399279 0.050 Uiso 1 1 calc R U . . .
C22 C 0.5327(2) 0.69704(16) 0.47403(14) 0.0396(7) Uani 1 1 d . . . . .
H22 H 0.554834 0.739544 0.493055 0.048 Uiso 1 1 calc R U . . .
C23 C 0.4918(2) 0.64735(15) 0.50147(12) 0.0330(6) Uani 1 1 d . . . . .
H23 H 0.485341 0.656037 0.539416 0.040 Uiso 1 1 calc R U . . .
C24 C 0.45990(19) 0.58462(14) 0.47443(11) 0.0267(5) Uani 1 1 d . . . . .
H24 H 0.433964 0.550235 0.494455 0.032 Uiso 1 1 calc R U . . .
C25 C 0.35503(17) 0.45874(13) 0.39500(10) 0.0206(5) Uani 1 1 d . . . . .
C26 C 0.27716(18) 0.45018(14) 0.42399(10) 0.0250(5) Uani 1 1 d . . . . .
C27 C 0.25267(18) 0.49678(17) 0.46675(11) 0.0299(6) Uani 1 1 d . . . . .
C28 C 0.2303(2) 0.56594(18) 0.45516(13) 0.0366(7) Uani 1 1 d . . . . .
H28 H 0.225826 0.583832 0.417450 0.044 Uiso 1 1 calc R U . . .
C29 C 0.2142(2) 0.6095(2) 0.49799(15) 0.0495(9) Uani 1 1 d . . . . .
H29 H 0.199500 0.656846 0.489521 0.059 Uiso 1 1 calc R U . . .
C30 C 0.2197(2) 0.5837(3) 0.55304(15) 0.0555(11) Uani 1 1 d . . . . .
H30 H 0.209182 0.613347 0.582453 0.067 Uiso 1 1 calc R U . . .
C31 C 0.2407(3) 0.5147(3) 0.56480(14) 0.0579(12) Uani 1 1 d . . . . .
H31 H 0.243811 0.496807 0.602321 0.069 Uiso 1 1 calc R U . . .
C32 C 0.2574(2) 0.4712(2) 0.52199(13) 0.0422(8) Uani 1 1 d . . . . .
H32 H 0.271984 0.423880 0.530553 0.051 Uiso 1 1 calc R U . . .
C33 C 0.12919(18) 0.38163(15) 0.26087(12) 0.0279(5) Uani 1 1 d . . . . .
C34 C 0.2809(2) 0.57887(15) 0.27660(13) 0.0331(6) Uani 1 1 d . . . . .
C35 C -0.0300(2) 0.38797(15) 0.37750(14) 0.0323(6) Uani 1 1 d . . . . .
C36 C 0.0012(2) 0.36661(17) 0.43514(16) 0.0395(7) Uani 1 1 d . . . . .
H36 H 0.035403 0.397413 0.465027 0.047 Uiso 1 1 calc R U . . .
C37 C -0.0184(3) 0.29919(18) 0.4484(2) 0.0518(9) Uani 1 1 d . . . . .
H37 H 0.001719 0.283902 0.487841 0.062 Uiso 1 1 calc R U . . .
C38 C -0.0665(3) 0.25466(18) 0.4050(2) 0.0562(10) Uani 1 1 d . . . . .
H38 H -0.079453 0.208682 0.414568 0.067 Uiso 1 1 calc R U . . .
C39 C -0.0961(3) 0.27610(19) 0.3480(2) 0.0543(10) Uani 1 1 d . . . . .
H39 H -0.128600 0.244589 0.318213 0.065 Uiso 1 1 calc R U . . .
C40 C -0.0790(2) 0.34386(17) 0.33308(16) 0.0417(7) Uani 1 1 d . . . . .
H40 H -0.100333 0.359139 0.293695 0.050 Uiso 1 1 calc R U . . .
C41 C -0.0252(2) 0.60321(14) 0.34307(13) 0.0295(6) Uani 1 1 d . . . . .
C42 C -0.0477(2) 0.60708(16) 0.39535(14) 0.0371(6) Uani 1 1 d . . . . .
H42 H -0.013460 0.579223 0.427473 0.045 Uiso 1 1 calc R U . . .
C43 C -0.1215(3) 0.65254(18) 0.40041(17) 0.0451(8) Uani 1 1 d . . . . .
H43 H -0.138061 0.655884 0.436293 0.054 Uiso 1 1 calc R U . . .
C44 C -0.1710(3) 0.69282(17) 0.35363(18) 0.0494(9) Uani 1 1 d . . . . .
H44 H -0.220478 0.724450 0.357553 0.059 Uiso 1 1 calc R U . . .
C45 C -0.1487(3) 0.68725(17) 0.30160(17) 0.0502(9) Uani 1 1 d . . . . .
H45 H -0.183666 0.714442 0.269213 0.060 Uiso 1 1 calc R U . . .
C46 C -0.0754(3) 0.64216(16) 0.29587(15) 0.0409(7) Uani 1 1 d . . . . .
H46 H -0.059870 0.638203 0.259716 0.049 Uiso 1 1 calc R U . . .
C47 C -0.0460(7) 0.4858(6) 0.2105(2) 0.031(2) Uani 0.49(3) 1 d G . P A 1
C48 C -0.1258(8) 0.4565(4) 0.1690(4) 0.035(2) Uani 0.49(3) 1 d G . P A 1
H48 H -0.170789 0.427114 0.180979 0.042 Uiso 0.49(3) 1 calc R U P A 1
C49 C -0.1399(10) 0.4700(4) 0.1101(3) 0.046(3) Uani 0.49(3) 1 d G . P A 1
H49 H -0.194523 0.449967 0.081707 0.056 Uiso 0.49(3) 1 calc R U P A 1
C50 C -0.0742(11) 0.5130(4) 0.0926(3) 0.043(4) Uani 0.49(3) 1 d G . P A 1
H50 H -0.083832 0.522267 0.052257 0.052 Uiso 0.49(3) 1 calc R U P A 1
C51 C 0.0057(8) 0.5424(5) 0.1340(3) 0.037(2) Uani 0.49(3) 1 d G . P A 1
H51 H 0.050594 0.571715 0.122079 0.045 Uiso 0.49(3) 1 calc R U P A 1
C52 C 0.0198(6) 0.5288(6) 0.1930(3) 0.030(2) Uani 0.49(3) 1 d G . P A 1
H52 H 0.074330 0.548862 0.221352 0.036 Uiso 0.49(3) 1 calc R U P A 1
C47A C -0.0355(8) 0.5000(7) 0.2069(2) 0.033(2) Uani 0.51(3) 1 d G . P A 2
C48A C -0.0974(11) 0.4672(8) 0.1584(4) 0.061(4) Uani 0.51(3) 1 d G . P A 2
H48A H -0.143148 0.433143 0.163296 0.073 Uiso 0.51(3) 1 calc R U P A 2
C49A C -0.0926(17) 0.4843(10) 0.1027(3) 0.091(7) Uani 0.51(3) 1 d G . P A 2
H49A H -0.134910 0.461925 0.069537 0.109 Uiso 0.51(3) 1 calc R U P A 2
C50A C -0.0257(17) 0.5342(12) 0.0955(4) 0.100(8) Uani 0.51(3) 1 d G . P A 2
H50A H -0.022347 0.545889 0.057438 0.120 Uiso 0.51(3) 1 calc R U P A 2
C51A C 0.0363(12) 0.5670(11) 0.1440(7) 0.072(5) Uani 0.51(3) 1 d G . P A 2
H51A H 0.081978 0.601072 0.139098 0.086 Uiso 0.51(3) 1 calc R U P A 2
C52A C 0.0314(8) 0.5499(9) 0.1997(5) 0.045(3) Uani 0.51(3) 1 d G . P A 2
H52A H 0.073742 0.572292 0.232857 0.054 Uiso 0.51(3) 1 calc R U P A 2
C53 C 0.2372(2) 0.38313(14) 0.11963(11) 0.0296(6) Uani 1 1 d . . . . .
C54 C 0.3024(2) 0.35750(18) 0.09141(14) 0.0420(7) Uani 1 1 d . . . . .
H54 H 0.371849 0.355919 0.110238 0.050 Uiso 1 1 calc R U . . .
C55 C 0.2638(3) 0.3337(2) 0.03407(15) 0.0493(8) Uani 1 1 d . . . . .
H55 H 0.307642 0.316428 0.013395 0.059 Uiso 1 1 calc R U . . .
C56 C 0.1634(3) 0.33508(19) 0.00748(14) 0.0461(8) Uani 1 1 d . . . . .
H56 H 0.137812 0.318889 -0.031448 0.055 Uiso 1 1 calc R U . . .
C57 C 0.0996(3) 0.36004(19) 0.03741(13) 0.0427(7) Uani 1 1 d . . . . .
H57 H 0.029951 0.360298 0.019077 0.051 Uiso 1 1 calc R U . . .
C58 C 0.1358(2) 0.38473(16) 0.09387(13) 0.0338(6) Uani 1 1 d . . . . .
H58 H 0.091930 0.402328 0.114378 0.041 Uiso 1 1 calc R U . . .
C59 C 0.5118(2) 0.49109(16) 0.20413(12) 0.0311(6) Uani 1 1 d . . . . .
C60 C 0.5423(2) 0.55129(16) 0.23229(15) 0.0385(7) Uani 1 1 d . . . . .
H60 H 0.495886 0.587023 0.232295 0.046 Uiso 1 1 calc R U . . .
C61 C 0.6428(2) 0.5599(2) 0.26123(16) 0.0468(8) Uani 1 1 d . . . . .
H61 H 0.664761 0.601805 0.281375 0.056 Uiso 1 1 calc R U . . .
C62 C 0.7096(2) 0.5098(2) 0.26116(17) 0.0502(9) Uani 1 1 d . . . . .
H62 H 0.778021 0.516436 0.280859 0.060 Uiso 1 1 calc R U . . .
C63 C 0.6783(3) 0.4505(2) 0.2330(3) 0.092(2) Uani 1 1 d . . . . .
H63 H 0.724961 0.414968 0.232804 0.110 Uiso 1 1 calc R U . . .
C64 C 0.5785(3) 0.4405(2) 0.2040(3) 0.086(2) Uani 1 1 d . . . . .
H64 H 0.556924 0.398349 0.184230 0.103 Uiso 1 1 calc R U . . .
C65 C 0.2846(5) 0.5640(3) 0.1116(2) 0.0351(19) Uani 0.437(5) 1 d G . P B 1
C66 C 0.3103(6) 0.6328(3) 0.1233(3) 0.050(3) Uani 0.437(5) 1 d G . P B 1
H66 H 0.307993 0.652881 0.159182 0.060 Uiso 0.437(5) 1 calc R U P B 1
C67 C 0.3394(7) 0.6724(3) 0.0823(3) 0.066(4) Uani 0.437(5) 1 d G . P B 1
H67 H 0.357003 0.719410 0.090257 0.079 Uiso 0.437(5) 1 calc R U P B 1
C68 C 0.3428(6) 0.6431(4) 0.0297(3) 0.086(5) Uani 0.437(5) 1 d G . P B 1
H68 H 0.362677 0.670068 0.001762 0.104 Uiso 0.437(5) 1 calc R U P B 1
C69 C 0.3170(7) 0.5742(4) 0.0181(2) 0.093(5) Uani 0.437(5) 1 d G . P B 1
H69 H 0.319340 0.554195 -0.017809 0.112 Uiso 0.437(5) 1 calc R U P B 1
C70 C 0.2879(6) 0.5347(3) 0.0591(2) 0.069(3) Uani 0.437(5) 1 d G . P B 1
H70 H 0.270330 0.487664 0.051115 0.083 Uiso 0.437(5) 1 calc R U P B 1
C65A C 0.2535(3) 0.58081(19) 0.12131(15) 0.0302(13) Uani 0.563(5) 1 d G . P B 2
C66A C 0.3156(4) 0.6365(2) 0.14261(15) 0.0349(16) Uani 0.563(5) 1 d G . P B 2
H66A H 0.351413 0.638552 0.182809 0.042 Uiso 0.563(5) 1 calc R U P B 2
C67A C 0.3254(4) 0.6892(2) 0.1051(2) 0.051(2) Uani 0.563(5) 1 d G . P B 2
H67A H 0.367799 0.727238 0.119658 0.061 Uiso 0.563(5) 1 calc R U P B 2
C68A C 0.2730(4) 0.6862(2) 0.0463(2) 0.065(2) Uani 0.563(5) 1 d G . P B 2
H68A H 0.279647 0.722182 0.020644 0.078 Uiso 0.563(5) 1 calc R U P B 2
C69A C 0.2109(4) 0.6305(2) 0.02498(14) 0.064(2) Uani 0.563(5) 1 d G . P B 2
H69A H 0.175109 0.628438 -0.015219 0.076 Uiso 0.563(5) 1 calc R U P B 2
C70A C 0.2012(3) 0.5778(2) 0.06249(16) 0.0462(15) Uani 0.563(5) 1 d G . P B 2
H70A H 0.158722 0.539750 0.047932 0.055 Uiso 0.563(5) 1 calc R U P B 2
C71A C 0.2917(4) 0.7915(3) 0.3569(4) 0.108(3) Uani 1 1 d . . . . .
H71A H 0.351609 0.774940 0.346753 0.130 Uiso 0.846(6) 1 calc R U P C 1
H71B H 0.307332 0.836935 0.376272 0.130 Uiso 0.846(6) 1 calc R U P C 1
H71C H 0.361856 0.805080 0.374628 0.130 Uiso 0.154(6) 1 calc R U P C 2
H71D H 0.278596 0.778234 0.315332 0.130 Uiso 0.154(6) 1 calc R U P C 2
O9 O 0.2090(3) 0.7989(2) 0.3035(2) 0.0874(17) Uani 0.846(6) 1 d . . P C 1
C72 C 0.2670(6) 0.7466(6) 0.3934(4) 0.092(2) Uani 0.846(6) 1 d . . P C 1
H72A H 0.296414 0.760031 0.434667 0.111 Uiso 0.846(6) 1 calc R U P C 1
H72B H 0.288724 0.699219 0.387422 0.111 Uiso 0.846(6) 1 calc R U P C 1
C73 C 0.1508(6) 0.7523(5) 0.3754(3) 0.085(2) Uani 0.846(6) 1 d . . P C 1
H73A H 0.120050 0.709528 0.384905 0.102 Uiso 0.846(6) 1 calc R U P C 1
H73B H 0.128748 0.791893 0.394775 0.102 Uiso 0.846(6) 1 calc R U P C 1
C74 C 0.1273(4) 0.7625(3) 0.3135(3) 0.0664(16) Uani 0.846(6) 1 d . . P C 1
H74A H 0.118323 0.717582 0.292919 0.080 Uiso 0.846(6) 1 calc R U P C 1
H74B H 0.065285 0.789573 0.299328 0.080 Uiso 0.846(6) 1 calc R U P C 1
O9A O 0.217(2) 0.8372(14) 0.3699(13) 0.092(9) Uani 0.154(6) 1 d . U P C 2
C72A C 0.239(4) 0.734(4) 0.401(3) 0.092(2) Uani 0.154(6) 1 d . U P C 2
H72C H 0.241461 0.686534 0.386269 0.111 Uiso 0.154(6) 1 calc R U P C 2
H72D H 0.283429 0.735265 0.441464 0.111 Uiso 0.154(6) 1 calc R U P C 2
C73A C 0.156(4) 0.745(3) 0.4030(19) 0.085(2) Uani 0.154(6) 1 d . U P C 2
H73C H 0.156092 0.751836 0.444041 0.102 Uiso 0.154(6) 1 calc R U P C 2
H73D H 0.113625 0.704666 0.387221 0.102 Uiso 0.154(6) 1 calc R U P C 2
C74A C 0.121(5) 0.801(4) 0.371(3) 0.15(2) Uani 0.154(6) 1 d . U P C 2
H74C H 0.081588 0.830465 0.390630 0.177 Uiso 0.154(6) 1 calc R U P C 2
H74D H 0.080034 0.789294 0.331534 0.177 Uiso 0.154(6) 1 calc R U P C 2
O10 O 0.4219(12) 0.5862(6) -0.0607(5) 0.116(4) Uani 0.4 1 d D U P D -1
C75 C 0.4202(13) 0.5147(7) -0.0710(6) 0.081(3) Uani 0.4 1 d D U P D -1
H75A H 0.481924 0.500073 -0.080087 0.097 Uiso 0.4 1 calc R U P D -1
H75B H 0.362557 0.502329 -0.104238 0.097 Uiso 0.4 1 calc R U P D -1
C76 C 0.4125(11) 0.4818(7) -0.0177(5) 0.074(3) Uani 0.4 1 d D U P D -1
H76A H 0.448867 0.437381 -0.011245 0.089 Uiso 0.4 1 calc R U P D -1
H76B H 0.342123 0.473362 -0.019288 0.089 Uiso 0.4 1 calc R U P D -1
C77 C 0.4597(12) 0.5330(7) 0.0297(5) 0.070(3) Uani 0.4 1 d D U P D -1
H77A H 0.414867 0.543869 0.054051 0.084 Uiso 0.4 1 calc R U P D -1
H77B H 0.523716 0.515537 0.055126 0.084 Uiso 0.4 1 calc R U P D -1
C78 C 0.4749(14) 0.5940(7) -0.0042(6) 0.089(4) Uani 0.4 1 d D U P D -1
H78A H 0.453063 0.636236 0.011955 0.107 Uiso 0.4 1 calc R U P D -1
H78B H 0.546421 0.598890 -0.001521 0.107 Uiso 0.4 1 calc R U P D -1
O10A O 0.486(3) 0.567(2) -0.0396(19) 0.091(7) Uani 0.1 1 d D U P E -2
C75A C 0.388(3) 0.555(2) -0.034(2) 0.080(7) Uani 0.1 1 d D U P E -2
H75C H 0.357975 0.599593 -0.026801 0.096 Uiso 0.1 1 calc R U P E -2
H75D H 0.344403 0.535159 -0.070770 0.096 Uiso 0.1 1 calc R U P E -2
C76A C 0.397(4) 0.509(3) 0.014(2) 0.083(8) Uani 0.1 1 d D U P E -2
H76C H 0.335194 0.482604 0.009807 0.099 Uiso 0.1 1 calc R U P E -2
H76D H 0.415325 0.533721 0.051519 0.099 Uiso 0.1 1 calc R U P E -2
C77A C 0.480(4) 0.462(2) 0.009(2) 0.085(9) Uani 0.1 1 d D U P E -2
H77C H 0.524626 0.449511 0.047480 0.101 Uiso 0.1 1 calc R U P E -2
H77D H 0.454475 0.419696 -0.013416 0.101 Uiso 0.1 1 calc R U P E -2
C78A C 0.533(4) 0.507(3) -0.024(3) 0.090(8) Uani 0.1 1 d D U P E -2
H78C H 0.601239 0.515603 0.000570 0.108 Uiso 0.1 1 calc R U P E -2
H78D H 0.537320 0.481947 -0.059528 0.108 Uiso 0.1 1 calc R U P E -2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
C33 Rh1 P1 90.27(8) . . ?
C33 Rh1 C1 129.50(11) . . ?
P1 Rh1 C1 114.75(8) . . ?
C33 Rh1 C2 102.30(10) . . ?
P1 Rh1 C2 149.18(7) . . ?
C1 Rh1 C2 37.07(10) . . ?
C33 Rh1 C26 164.85(11) . . ?
P1 Rh1 C26 102.81(7) . . ?
C1 Rh1 C26 37.44(10) . . ?
C2 Rh1 C26 62.55(9) . . ?
C33 Rh1 C9 109.07(10) . . ?
P1 Rh1 C9 159.05(6) . . ?
C1 Rh1 C9 59.00(9) . . ?
C2 Rh1 C9 35.78(8) . . ?
C26 Rh1 C9 59.38(9) . . ?
C33 Rh1 C25 138.94(10) . . ?
P1 Rh1 C25 125.41(6) . . ?
C1 Rh1 C25 58.01(8) . . ?
C2 Rh1 C25 58.57(8) . . ?
C26 Rh1 C25 34.91(8) . . ?
C9 Rh1 C25 33.64(8) . . ?
C33 Rh1 Rh2 95.31(8) . . ?
P1 Rh1 Rh2 117.094(19) . . ?
C1 Rh1 Rh2 108.72(7) . . ?
C2 Rh1 Rh2 89.95(6) . . ?
C26 Rh1 Rh2 85.60(7) . . ?
C9 Rh1 Rh2 54.82(6) . . ?
C25 Rh1 Rh2 52.88(6) . . ?
C34 Rh2 P2 88.72(9) . . ?
C34 Rh2 C17 130.64(10) . . ?
P2 Rh2 C17 120.04(7) . . ?
C34 Rh2 C10 166.81(10) . . ?
P2 Rh2 C10 103.23(6) . . ?
C17 Rh2 C10 37.76(8) . . ?
C34 Rh2 C18 104.14(11) . . ?
P2 Rh2 C18 156.51(7) . . ?
C17 Rh2 C18 37.38(9) . . ?
C10 Rh2 C18 62.72(9) . . ?
C34 Rh2 C25 111.37(11) . . ?
P2 Rh2 C25 154.08(6) . . ?
C17 Rh2 C25 59.06(9) . . ?
C10 Rh2 C25 59.08(9) . . ?
C18 Rh2 C25 35.59(8) . . ?
C34 Rh2 C9 140.75(12) . . ?
P2 Rh2 C9 121.47(6) . . ?
C17 Rh2 C9 58.15(8) . . ?
C10 Rh2 C9 34.70(8) . . ?
C18 Rh2 C9 58.41(8) . . ?
C25 Rh2 C9 33.39(8) . . ?
C34 Rh2 Rh1 96.96(10) . . ?
P2 Rh2 Rh1 108.834(17) . . ?
C17 Rh2 Rh1 108.22(6) . . ?
C10 Rh2 Rh1 84.57(6) . . ?
C18 Rh2 Rh1 89.33(6) . . ?
C25 Rh2 Rh1 54.37(5) . . ?
C9 Rh2 Rh1 52.13(5) . . ?
C35 O3 P1 122.06(18) . . ?
C41 O4 P1 125.06(16) . . ?
C47 O5 P1 131.6(5) . . ?
C47A O5 P1 123.5(5) . . ?
C53 O6 P2 125.66(18) . . ?
C59 O7 P2 126.00(18) . . ?
C65A O8 P2 136.3(3) . . ?
C65 O8 P2 117.2(3) . . ?
O4 P1 O3 98.29(11) . . ?
O4 P1 O5 103.17(11) . . ?
O3 P1 O5 95.87(11) . . ?
O4 P1 Rh1 118.82(7) . . ?
O3 P1 Rh1 115.27(8) . . ?
O5 P1 Rh1 120.95(8) . . ?
O6 P2 O7 102.22(13) . . ?
O6 P2 O8 100.51(10) . . ?
O7 P2 O8 98.43(14) . . ?
O6 P2 Rh2 114.08(7) . . ?
O7 P2 Rh2 119.88(8) . . ?
O8 P2 Rh2 118.55(9) . . ?
C2 C1 C26 110.9(2) . . ?
C2 C1 Rh1 73.87(14) . . ?
C26 C1 Rh1 73.83(14) . . ?
C2 C1 H1 124.5 . . ?
C26 C1 H1 124.5 . . ?
Rh1 C1 H1 119.4 . . ?
C1 C2 C9 105.9(2) . . ?
C1 C2 C3 122.4(2) . . ?
C9 C2 C3 130.3(2) . . ?
C1 C2 Rh1 69.06(14) . . ?
C9 C2 Rh1 78.78(14) . . ?
C3 C2 Rh1 126.74(17) . . ?
C8 C3 C4 118.5(3) . . ?
C8 C3 C2 120.8(2) . . ?
C4 C3 C2 120.5(3) . . ?
C5 C4 C3 119.7(4) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C6 C5 C4 121.3(4) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C7 119.6(3) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C6 C7 C8 119.8(4) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C7 C8 C3 121.2(3) . . ?
C7 C8 H8 119.4 . . ?
C3 C8 H8 119.4 . . ?
C25 C9 C10 108.1(2) . . ?
C25 C9 C2 108.7(2) . . ?
C10 C9 C2 142.8(2) . . ?
C25 C9 Rh1 76.10(13) . . ?
C10 C9 Rh1 129.65(15) . . ?
C2 C9 Rh1 65.44(13) . . ?
C25 C9 Rh2 71.09(13) . . ?
C10 C9 Rh2 62.37(12) . . ?
C2 C9 Rh2 136.73(15) . . ?
Rh1 C9 Rh2 73.05(6) . . ?
C17 C10 C9 106.3(2) . . ?
C17 C10 C11 125.4(2) . . ?
C9 C10 C11 126.4(2) . . ?
C17 C10 Rh2 69.04(13) . . ?
C9 C10 Rh2 82.92(14) . . ?
C11 C10 Rh2 125.54(17) . . ?
C16 C11 C12 118.2(3) . . ?
C16 C11 C10 120.2(2) . . ?
C12 C11 C10 121.6(2) . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C14 C13 C12 120.4(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
C14 C15 C16 120.6(3) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 120.5(3) . . ?
C15 C16 H16 119.7 . . ?
C11 C16 H16 119.7 . . ?
C18 C17 C10 109.7(2) . . ?
C18 C17 Rh2 73.54(13) . . ?
C10 C17 Rh2 73.20(13) . . ?
C18 C17 H17 125.1 . . ?
C10 C17 H17 125.1 . . ?
Rh2 C17 H17 119.8 . . ?
C17 C18 C25 106.4(2) . . ?
C17 C18 C19 123.5(2) . . ?
C25 C18 C19 129.2(2) . . ?
C17 C18 Rh2 69.08(13) . . ?
C25 C18 Rh2 80.06(13) . . ?
C19 C18 Rh2 123.78(17) . . ?
C24 C19 C20 118.6(2) . . ?
C24 C19 C18 120.8(2) . . ?
C20 C19 C18 120.5(2) . . ?
C21 C20 C19 120.8(3) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 C20 120.0(3) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C23 C22 C21 119.5(3) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 120.9(3) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C19 120.1(3) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?
C9 C25 C26 107.9(2) . . ?
C9 C25 C18 108.3(2) . . ?
C26 C25 C18 143.5(2) . . ?
C9 C25 Rh2 75.52(13) . . ?
C26 C25 Rh2 130.32(16) . . ?
C18 C25 Rh2 64.35(12) . . ?
C9 C25 Rh1 70.27(12) . . ?
C26 C25 Rh1 63.14(12) . . ?
C18 C25 Rh1 135.43(16) . . ?
Rh2 C25 Rh1 72.75(6) . . ?
C1 C26 C25 105.7(2) . . ?
C1 C26 C27 123.8(2) . . ?
C25 C26 C27 127.6(2) . . ?
C1 C26 Rh1 68.73(13) . . ?
C25 C26 Rh1 81.95(14) . . ?
C27 C26 Rh1 128.92(17) . . ?
C28 C27 C32 118.7(3) . . ?
C28 C27 C26 122.6(3) . . ?
C32 C27 C26 118.6(3) . . ?
C27 C28 C29 121.0(3) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C30 C29 C28 119.9(4) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C31 C30 C29 119.6(3) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C30 C31 C32 120.5(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 120.3(4) . . ?
C27 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
O1 C33 Rh1 176.0(3) . . ?
O2 C34 Rh2 179.1(3) . . ?
C40 C35 C36 121.7(3) . . ?
C40 C35 O3 121.5(3) . . ?
C36 C35 O3 116.7(3) . . ?
C35 C36 C37 118.7(3) . . ?
C35 C36 H36 120.6 . . ?
C37 C36 H36 120.6 . . ?
C38 C37 C36 120.4(4) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C37 C38 C39 120.4(3) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C38 C39 C40 120.7(4) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
C35 C40 C39 118.0(4) . . ?
C35 C40 H40 121.0 . . ?
C39 C40 H40 121.0 . . ?
C42 C41 C46 121.4(3) . . ?
C42 C41 O4 119.7(2) . . ?
C46 C41 O4 118.8(3) . . ?
C41 C42 C43 118.7(3) . . ?
C41 C42 H42 120.7 . . ?
C43 C42 H42 120.7 . . ?
C44 C43 C42 120.4(4) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C45 C44 C43 120.0(3) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C41 C46 C45 119.2(3) . . ?
C41 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
O5 C47 C48 116.9(6) . . ?
O5 C47 C52 122.7(6) . . ?
C48 C47 C52 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 H52 120.0 . . ?
C47 C52 H52 120.0 . . ?
C48A C47A C52A 120.0 . . ?
C48A C47A O5 116.5(6) . . ?
C52A C47A O5 123.5(6) . . ?
C47A C48A C49A 120.0 . . ?
C47A C48A H48A 120.0 . . ?
C49A C48A H48A 120.0 . . ?
C50A C49A C48A 120.0 . . ?
C50A C49A H49A 120.0 . . ?
C48A C49A H49A 120.0 . . ?
C49A C50A C51A 120.0 . . ?
C49A C50A H50A 120.0 . . ?
C51A C50A H50A 120.0 . . ?
C52A C51A C50A 120.0 . . ?
C52A C51A H51A 120.0 . . ?
C50A C51A H51A 120.0 . . ?
C51A C52A C47A 120.0 . . ?
C51A C52A H52A 120.0 . . ?
C47A C52A H52A 120.0 . . ?
C54 C53 C58 122.2(3) . . ?
C54 C53 O6 120.2(3) . . ?
C58 C53 O6 117.4(3) . . ?
C53 C54 C55 118.2(3) . . ?
C53 C54 H54 120.9 . . ?
C55 C54 H54 120.9 . . ?
C56 C55 C54 120.6(3) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C56 C57 119.8(3) . . ?
C55 C56 H56 120.1 . . ?
C57 C56 H56 120.1 . . ?
C56 C57 C58 120.8(3) . . ?
C56 C57 H57 119.6 . . ?
C58 C57 H57 119.6 . . ?
C53 C58 C57 118.4(3) . . ?
C53 C58 H58 120.8 . . ?
C57 C58 H58 120.8 . . ?
C64 C59 C60 120.3(3) . . ?
C64 C59 O7 118.9(3) . . ?
C60 C59 O7 120.8(3) . . ?
C59 C60 C61 118.8(3) . . ?
C59 C60 H60 120.6 . . ?
C61 C60 H60 120.6 . . ?
C62 C61 C60 121.2(3) . . ?
C62 C61 H61 119.4 . . ?
C60 C61 H61 119.4 . . ?
C63 C62 C61 119.3(3) . . ?
C63 C62 H62 120.4 . . ?
C61 C62 H62 120.4 . . ?
C62 C63 C64 120.6(4) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 H63 119.7 . . ?
C59 C64 C63 119.8(4) . . ?
C59 C64 H64 120.1 . . ?
C63 C64 H64 120.1 . . ?
C66 C65 C70 120.0 . . ?
C66 C65 O8 116.1(4) . . ?
C70 C65 O8 123.7(4) . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C68 C67 C66 120.0 . . ?
C68 C67 H67 120.0 . . ?
C66 C67 H67 120.0 . . ?
C67 C68 C69 120.0 . . ?
C67 C68 H68 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C69 C70 120.0 . . ?
C68 C69 H69 120.0 . . ?
C70 C69 H69 120.0 . . ?
C69 C70 C65 120.0 . . ?
C69 C70 H70 120.0 . . ?
C65 C70 H70 120.0 . . ?
O8 C65A C66A 121.9(3) . . ?
O8 C65A C70A 118.0(3) . . ?
C66A C65A C70A 120.0 . . ?
C67A C66A C65A 120.0 . . ?
C67A C66A H66A 120.0 . . ?
C65A C66A H66A 120.0 . . ?
C66A C67A C68A 120.0 . . ?
C66A C67A H67A 120.0 . . ?
C68A C67A H67A 120.0 . . ?
C69A C68A C67A 120.0 . . ?
C69A C68A H68A 120.0 . . ?
C67A C68A H68A 120.0 . . ?
C68A C69A C70A 120.0 . . ?
C68A C69A H69A 120.0 . . ?
C70A C69A H69A 120.0 . . ?
C69A C70A C65A 120.0 . . ?
C69A C70A H70A 120.0 . . ?
C65A C70A H70A 120.0 . . ?
C72 C71A O9 109.9(6) . . ?
O9A C71A C72A 80(3) . . ?
C72 C71A H71A 109.7 . . ?
O9 C71A H71A 109.7 . . ?
C72 C71A H71B 109.7 . . ?
O9 C71A H71B 109.7 . . ?
H71A C71A H71B 108.2 . . ?
O9A C71A H71C 115.3 . . ?
C72A C71A H71C 115.3 . . ?
O9A C71A H71D 115.3 . . ?
C72A C71A H71D 115.3 . . ?
H71C C71A H71D 112.3 . . ?
C74 O9 C71A 106.5(4) . . ?
C71A C72 C73 102.3(7) . . ?
C71A C72 H72A 111.3 . . ?
C73 C72 H72A 111.3 . . ?
C71A C72 H72B 111.3 . . ?
C73 C72 H72B 111.3 . . ?
H72A C72 H72B 109.2 . . ?
C74 C73 C72 102.2(6) . . ?
C74 C73 H73A 111.3 . . ?
C72 C73 H73A 111.3 . . ?
C74 C73 H73B 111.3 . . ?
C72 C73 H73B 111.3 . . ?
H73A C73 H73B 109.2 . . ?
O9 C74 C73 106.2(5) . . ?
O9 C74 H74A 110.5 . . ?
C73 C74 H74A 110.5 . . ?
O9 C74 H74B 110.5 . . ?
C73 C74 H74B 110.5 . . ?
H74A C74 H74B 108.7 . . ?
C71A O9A C74A 115(3) . . ?
C73A C72A C71A 118(5) . . ?
C73A C72A H72C 107.8 . . ?
C71A C72A H72C 107.8 . . ?
C73A C72A H72D 107.8 . . ?
C71A C72A H72D 107.8 . . ?
H72C C72A H72D 107.1 . . ?
C72A C73A C74A 109(5) . . ?
C72A C73A H73C 109.9 . . ?
C74A C73A H73C 109.9 . . ?
C72A C73A H73D 109.9 . . ?
C74A C73A H73D 109.9 . . ?
H73C C73A H73D 108.3 . . ?
C73A C74A O9A 101(5) . . ?
C73A C74A H74C 111.5 . . ?
O9A C74A H74C 111.5 . . ?
C73A C74A H74D 111.5 . . ?
O9A C74A H74D 111.5 . . ?
H74C C74A H74D 109.3 . . ?
C78 O10 C75 105.2(12) . . ?
O10 C75 C76 106.4(12) . . ?
O10 C75 H75A 110.5 . . ?
C76 C75 H75A 110.5 . . ?
O10 C75 H75B 110.5 . . ?
C76 C75 H75B 110.5 . . ?
H75A C75 H75B 108.6 . . ?
C75 C76 C77 104.0(11) . . ?
C75 C76 H76A 111.0 . . ?
C77 C76 H76A 111.0 . . ?
C75 C76 H76B 111.0 . . ?
C77 C76 H76B 111.0 . . ?
H76A C76 H76B 109.0 . . ?
C78 C77 C76 102.4(10) . . ?
C78 C77 H77A 111.3 . . ?
C76 C77 H77A 111.3 . . ?
C78 C77 H77B 111.3 . . ?
C76 C77 H77B 111.3 . . ?
H77A C77 H77B 109.2 . . ?
O10 C78 C77 109.4(12) . . ?
O10 C78 H78A 109.8 . . ?
C77 C78 H78A 109.8 . . ?
O10 C78 H78B 109.8 . . ?
C77 C78 H78B 109.8 . . ?
H78A C78 H78B 108.2 . . ?
C78A O10A C75A 104(2) . . ?
C76A C75A O10A 107(2) . . ?
C76A C75A H75C 110.4 . . ?
O10A C75A H75C 110.4 . . ?
C76A C75A H75D 110.4 . . ?
O10A C75A H75D 110.4 . . ?
H75C C75A H75D 108.6 . . ?
C75A C76A C77A 102(2) . . ?
C75A C76A H76C 111.3 . . ?
C77A C76A H76C 111.3 . . ?
C75A C76A H76D 111.3 . . ?
C77A C76A H76D 111.3 . . ?
H76C C76A H76D 109.2 . . ?
C78A C77A C76A 102(2) . . ?
C78A C77A H77C 111.5 . . ?
C76A C77A H77C 111.5 . . ?
C78A C77A H77D 111.5 . . ?
C76A C77A H77D 111.5 . . ?
H77C C77A H77D 109.3 . . ?
O10A C78A C77A 112(2) . . ?
O10A C78A H78C 109.2 . . ?
C77A C78A H78C 109.2 . . ?
O10A C78A H78D 109.2 . . ?
C77A C78A H78D 109.2 . . ?
H78C C78A H78D 107.9 . . ?
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
Rh1 C33 1.850(3) . ?
Rh1 P1 2.1756(7) . ?
Rh1 C1 2.202(2) . ?
Rh1 C2 2.265(2) . ?
Rh1 C26 2.270(2) . ?
Rh1 C9 2.443(2) . ?
Rh1 C25 2.519(2) . ?
Rh1 Rh2 2.9598(2) . ?
Rh2 C34 1.846(3) . ?
Rh2 P2 2.1847(6) . ?
Rh2 C17 2.203(2) . ?
Rh2 C10 2.258(2) . ?
Rh2 C18 2.261(2) . ?
Rh2 C25 2.471(2) . ?
Rh2 C9 2.529(2) . ?
O1 C33 1.140(4) . ?
O2 C34 1.140(4) . ?
O3 C35 1.398(3) . ?
O3 P1 1.615(2) . ?
O4 C41 1.410(3) . ?
O4 P1 1.600(2) . ?
O5 C47 1.278(7) . ?
O5 C47A 1.466(9) . ?
O5 P1 1.6187(18) . ?
O6 C53 1.408(3) . ?
O6 P2 1.6010(19) . ?
O7 C59 1.400(3) . ?
O7 P2 1.605(2) . ?
O8 C65A 1.335(4) . ?
O8 C65 1.487(5) . ?
O8 P2 1.6091(19) . ?
C1 C2 1.421(4) . ?
C1 C26 1.437(4) . ?
C1 H1 0.9500 . ?
C2 C9 1.456(3) . ?
C2 C3 1.478(4) . ?
C3 C8 1.392(5) . ?
C3 C4 1.400(4) . ?
C4 C5 1.388(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.383(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(4) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C25 1.437(3) . ?
C9 C10 1.451(3) . ?
C10 C17 1.444(3) . ?
C10 C11 1.480(3) . ?
C11 C16 1.388(4) . ?
C11 C12 1.391(4) . ?
C12 C13 1.383(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.374(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.379(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.385(5) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.432(4) . ?
C17 H17 0.9500 . ?
C18 C25 1.460(3) . ?
C18 C19 1.482(3) . ?
C19 C24 1.395(4) . ?
C19 C20 1.396(4) . ?
C20 C21 1.390(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.377(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.391(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.456(4) . ?
C26 C27 1.474(4) . ?
C27 C28 1.387(5) . ?
C27 C32 1.392(4) . ?
C28 C29 1.392(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.394(5) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C35 C40 1.384(4) . ?
C35 C36 1.384(5) . ?
C36 C37 1.391(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.371(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.372(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.399(5) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.372(5) . ?
C41 C46 1.374(4) . ?
C42 C43 1.390(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.379(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.367(6) . ?
C44 H44 0.9500 . ?
C45 C46 1.384(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.3900 . ?
C47 C52 1.3900 . ?
C48 C49 1.3900 . ?
C48 H48 0.9500 . ?
C49 C50 1.3900 . ?
C49 H49 0.9500 . ?
C50 C51 1.3900 . ?
C50 H50 0.9500 . ?
C51 C52 1.3900 . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C47A C48A 1.3900 . ?
C47A C52A 1.3900 . ?
C48A C49A 1.3900 . ?
C48A H48A 0.9500 . ?
C49A C50A 1.3900 . ?
C49A H49A 0.9500 . ?
C50A C51A 1.3900 . ?
C50A H50A 0.9500 . ?
C51A C52A 1.3900 . ?
C51A H51A 0.9500 . ?
C52A H52A 0.9500 . ?
C53 C54 1.371(5) . ?
C53 C58 1.380(4) . ?
C54 C55 1.401(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.371(5) . ?
C55 H55 0.9500 . ?
C56 C57 1.379(5) . ?
C56 H56 0.9500 . ?
C57 C58 1.385(4) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C64 1.354(5) . ?
C59 C60 1.355(4) . ?
C60 C61 1.393(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.348(6) . ?
C61 H61 0.9500 . ?
C62 C63 1.343(7) . ?
C62 H62 0.9500 . ?
C63 C64 1.388(6) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C65 C66 1.3900 . ?
C65 C70 1.3900 . ?
C66 C67 1.3900 . ?
C66 H66 0.9500 . ?
C67 C68 1.3900 . ?
C67 H67 0.9500 . ?
C68 C69 1.3900 . ?
C68 H68 0.9500 . ?
C69 C70 1.3900 . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C65A C66A 1.3900 . ?
C65A C70A 1.3900 . ?
C66A C67A 1.3900 . ?
C66A H66A 0.9500 . ?
C67A C68A 1.3900 . ?
C67A H67A 0.9500 . ?
C68A C69A 1.3900 . ?
C68A H68A 0.9500 . ?
C69A C70A 1.3900 . ?
C69A H69A 0.9500 . ?
C70A H70A 0.9500 . ?
C71A C72 1.345(10) . ?
C71A O9A 1.46(3) . ?
C71A O9 1.466(8) . ?
C71A C72A 1.82(5) . ?
C71A H71A 0.9900 . ?
C71A H71B 0.9900 . ?
C71A H71C 0.9900 . ?
C71A H71D 0.9900 . ?
O9 C74 1.420(6) . ?
C72 C73 1.566(12) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.433(9) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
O9A C74A 1.53(7) . ?
C72A C73A 1.19(7) . ?
C72A H72C 0.9900 . ?
C72A H72D 0.9900 . ?
C73A C74A 1.35(8) . ?
C73A H73C 0.9900 . ?
C73A H73D 0.9900 . ?
C74A H74C 0.9900 . ?
C74A H74D 0.9900 . ?
O10 C78 1.351(17) . ?
O10 C75 1.405(17) . ?
C75 C76 1.453(17) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.511(15) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.483(18) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
O10A C78A 1.33(3) . ?
O10A C75A 1.44(2) . ?
C75A C76A 1.44(2) . ?
C75A H75C 0.9900 . ?
C75A H75D 0.9900 . ?
C76A C77A 1.51(2) . ?
C76A H76C 0.9900 . ?
C76A H76D 0.9900 . ?
C77A C78A 1.49(3) . ?
C77A H77C 0.9900 . ?
C77A H77D 0.9900 . ?
C78A H78C 0.9900 . ?
C78A H78D 0.9900 . ?
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
C41 O4 P1 O3 -45.4(2) . . . . ?
C41 O4 P1 O5 52.7(2) . . . . ?
C41 O4 P1 Rh1 -170.30(18) . . . . ?
C35 O3 P1 O4 -170.1(2) . . . . ?
C35 O3 P1 O5 85.6(2) . . . . ?
C35 O3 P1 Rh1 -42.7(2) . . . . ?
C47 O5 P1 O4 84.3(7) . . . . ?
C47A O5 P1 O4 73.7(6) . . . . ?
C47 O5 P1 O3 -175.8(7) . . . . ?
C47A O5 P1 O3 173.7(6) . . . . ?
C47 O5 P1 Rh1 -51.6(7) . . . . ?
C47A O5 P1 Rh1 -62.1(6) . . . . ?
C53 O6 P2 O7 -57.4(2) . . . . ?
C53 O6 P2 O8 43.7(2) . . . . ?
C53 O6 P2 Rh2 171.7(2) . . . . ?
C59 O7 P2 O6 -123.9(3) . . . . ?
C59 O7 P2 O8 133.4(3) . . . . ?
C59 O7 P2 Rh2 3.4(4) . . . . ?
C65A O8 P2 O6 -131.5(3) . . . . ?
C65 O8 P2 O6 -110.5(3) . . . . ?
C65A O8 P2 O7 -27.4(4) . . . . ?
C65 O8 P2 O7 -6.3(3) . . . . ?
C65A O8 P2 Rh2 103.5(3) . . . . ?
C65 O8 P2 Rh2 124.5(3) . . . . ?
C26 C1 C2 C9 5.9(3) . . . . ?
Rh1 C1 C2 C9 70.99(15) . . . . ?
C26 C1 C2 C3 173.8(2) . . . . ?
Rh1 C1 C2 C3 -121.0(2) . . . . ?
C26 C1 C2 Rh1 -65.11(17) . . . . ?
C1 C2 C3 C8 -129.0(3) . . . . ?
C9 C2 C3 C8 35.7(4) . . . . ?
Rh1 C2 C3 C8 144.1(2) . . . . ?
C1 C2 C3 C4 45.1(4) . . . . ?
C9 C2 C3 C4 -150.1(3) . . . . ?
Rh1 C2 C3 C4 -41.7(4) . . . . ?
C8 C3 C4 C5 0.1(4) . . . . ?
C2 C3 C4 C5 -174.2(3) . . . . ?
C3 C4 C5 C6 -0.3(5) . . . . ?
C4 C5 C6 C7 -0.2(6) . . . . ?
C5 C6 C7 C8 0.8(6) . . . . ?
C6 C7 C8 C3 -1.0(5) . . . . ?
C4 C3 C8 C7 0.6(4) . . . . ?
C2 C3 C8 C7 174.8(3) . . . . ?
C1 C2 C9 C25 0.1(2) . . . . ?
C3 C2 C9 C25 -166.5(2) . . . . ?
Rh1 C2 C9 C25 64.33(16) . . . . ?
C1 C2 C9 C10 171.9(3) . . . . ?
C3 C2 C9 C10 5.2(5) . . . . ?
Rh1 C2 C9 C10 -123.9(3) . . . . ?
C1 C2 C9 Rh1 -64.19(16) . . . . ?
C3 C2 C9 Rh1 129.2(3) . . . . ?
C1 C2 C9 Rh2 -81.8(3) . . . . ?
C3 C2 C9 Rh2 111.6(3) . . . . ?
Rh1 C2 C9 Rh2 -17.6(2) . . . . ?
C25 C9 C10 C17 9.5(2) . . . . ?
C2 C9 C10 C17 -162.3(3) . . . . ?
Rh1 C9 C10 C17 96.2(2) . . . . ?
Rh2 C9 C10 C17 65.68(15) . . . . ?
C25 C9 C10 C11 174.3(2) . . . . ?
C2 C9 C10 C11 2.6(5) . . . . ?
Rh1 C9 C10 C11 -98.9(3) . . . . ?
Rh2 C9 C10 C11 -129.5(2) . . . . ?
C25 C9 C10 Rh2 -56.19(16) . . . . ?
C2 C9 C10 Rh2 132.1(3) . . . . ?
Rh1 C9 C10 Rh2 30.56(19) . . . . ?
C17 C10 C11 C16 28.3(4) . . . . ?
C9 C10 C11 C16 -133.7(3) . . . . ?
Rh2 C10 C11 C16 116.5(3) . . . . ?
C17 C10 C11 C12 -152.8(2) . . . . ?
C9 C10 C11 C12 45.2(4) . . . . ?
Rh2 C10 C11 C12 -64.6(3) . . . . ?
C16 C11 C12 C13 -0.7(5) . . . . ?
C10 C11 C12 C13 -179.6(3) . . . . ?
C11 C12 C13 C14 -0.4(5) . . . . ?
C12 C13 C14 C15 1.0(7) . . . . ?
C13 C14 C15 C16 -0.5(8) . . . . ?
C14 C15 C16 C11 -0.6(9) . . . . ?
C12 C11 C16 C15 1.2(6) . . . . ?
C10 C11 C16 C15 -179.9(4) . . . . ?
C9 C10 C17 C18 -10.6(3) . . . . ?
C11 C10 C17 C18 -175.6(2) . . . . ?
Rh2 C10 C17 C18 64.99(16) . . . . ?
C9 C10 C17 Rh2 -75.55(15) . . . . ?
C11 C10 C17 Rh2 119.4(2) . . . . ?
C10 C17 C18 C25 7.5(3) . . . . ?
Rh2 C17 C18 C25 72.24(15) . . . . ?
C10 C17 C18 C19 177.8(2) . . . . ?
Rh2 C17 C18 C19 -117.4(2) . . . . ?
C10 C17 C18 Rh2 -64.77(16) . . . . ?
C17 C18 C19 C24 -136.3(3) . . . . ?
C25 C18 C19 C24 31.7(4) . . . . ?
Rh2 C18 C19 C24 137.9(2) . . . . ?
C17 C18 C19 C20 40.5(4) . . . . ?
C25 C18 C19 C20 -151.5(3) . . . . ?
Rh2 C18 C19 C20 -45.4(3) . . . . ?
C24 C19 C20 C21 -1.0(4) . . . . ?
C18 C19 C20 C21 -177.9(3) . . . . ?
C19 C20 C21 C22 -0.5(5) . . . . ?
C20 C21 C22 C23 0.7(5) . . . . ?
C21 C22 C23 C24 0.6(5) . . . . ?
C22 C23 C24 C19 -2.2(4) . . . . ?
C20 C19 C24 C23 2.3(4) . . . . ?
C18 C19 C24 C23 179.2(2) . . . . ?
C10 C9 C25 C26 179.33(18) . . . . ?
C2 C9 C25 C26 -5.9(2) . . . . ?
Rh1 C9 C25 C26 51.69(15) . . . . ?
Rh2 C9 C25 C26 128.24(17) . . . . ?
C10 C9 C25 C18 -5.1(2) . . . . ?
C2 C9 C25 C18 169.67(18) . . . . ?
Rh1 C9 C25 C18 -132.72(17) . . . . ?
Rh2 C9 C25 C18 -56.17(15) . . . . ?
C10 C9 C25 Rh2 51.09(15) . . . . ?
C2 C9 C25 Rh2 -134.16(16) . . . . ?
Rh1 C9 C25 Rh2 -76.54(5) . . . . ?
C10 C9 C25 Rh1 127.63(17) . . . . ?
C2 C9 C25 Rh1 -57.62(15) . . . . ?
Rh2 C9 C25 Rh1 76.54(5) . . . . ?
C17 C18 C25 C9 -1.4(2) . . . . ?
C19 C18 C25 C9 -171.0(2) . . . . ?
Rh2 C18 C25 C9 63.16(16) . . . . ?
C17 C18 C25 C26 171.5(3) . . . . ?
C19 C18 C25 C26 1.9(5) . . . . ?
Rh2 C18 C25 C26 -123.9(3) . . . . ?
C17 C18 C25 Rh2 -64.57(15) . . . . ?
C19 C18 C25 Rh2 125.8(3) . . . . ?
C17 C18 C25 Rh1 -81.6(3) . . . . ?
C19 C18 C25 Rh1 108.8(3) . . . . ?
Rh2 C18 C25 Rh1 -17.0(2) . . . . ?
C2 C1 C26 C25 -9.5(3) . . . . ?
Rh1 C1 C26 C25 -74.59(16) . . . . ?
C2 C1 C26 C27 -171.5(2) . . . . ?
Rh1 C1 C26 C27 123.4(2) . . . . ?
C2 C1 C26 Rh1 65.13(17) . . . . ?
C9 C25 C26 C1 9.3(2) . . . . ?
C18 C25 C26 C1 -163.7(3) . . . . ?
Rh2 C25 C26 C1 95.2(2) . . . . ?
Rh1 C25 C26 C1 65.14(15) . . . . ?
C9 C25 C26 C27 170.3(2) . . . . ?
C18 C25 C26 C27 -2.6(5) . . . . ?
Rh2 C25 C26 C27 -103.7(3) . . . . ?
Rh1 C25 C26 C27 -133.8(3) . . . . ?
C9 C25 C26 Rh1 -55.89(16) . . . . ?
C18 C25 C26 Rh1 131.2(3) . . . . ?
Rh2 C25 C26 Rh1 30.0(2) . . . . ?
C1 C26 C27 C28 -146.3(3) . . . . ?
C25 C26 C27 C28 55.7(4) . . . . ?
Rh1 C26 C27 C28 -57.5(4) . . . . ?
C1 C26 C27 C32 37.2(4) . . . . ?
C25 C26 C27 C32 -120.8(3) . . . . ?
Rh1 C26 C27 C32 126.0(2) . . . . ?
C32 C27 C28 C29 1.0(4) . . . . ?
C26 C27 C28 C29 -175.5(3) . . . . ?
C27 C28 C29 C30 -0.5(5) . . . . ?
C28 C29 C30 C31 -0.3(5) . . . . ?
C29 C30 C31 C32 0.7(5) . . . . ?
C28 C27 C32 C31 -0.6(4) . . . . ?
C26 C27 C32 C31 176.1(3) . . . . ?
C30 C31 C32 C27 -0.2(5) . . . . ?
P1 O3 C35 C40 -61.3(3) . . . . ?
P1 O3 C35 C36 122.6(3) . . . . ?
C40 C35 C36 C37 -0.7(5) . . . . ?
O3 C35 C36 C37 175.3(3) . . . . ?
C35 C36 C37 C38 0.9(5) . . . . ?
C36 C37 C38 C39 -0.1(6) . . . . ?
C37 C38 C39 C40 -0.9(6) . . . . ?
C36 C35 C40 C39 -0.2(5) . . . . ?
O3 C35 C40 C39 -176.1(3) . . . . ?
C38 C39 C40 C35 1.0(5) . . . . ?
P1 O4 C41 C42 86.7(3) . . . . ?
P1 O4 C41 C46 -97.4(3) . . . . ?
C46 C41 C42 C43 -1.3(4) . . . . ?
O4 C41 C42 C43 174.5(3) . . . . ?
C41 C42 C43 C44 0.0(5) . . . . ?
C42 C43 C44 C45 1.2(5) . . . . ?
C43 C44 C45 C46 -1.2(5) . . . . ?
C42 C41 C46 C45 1.3(5) . . . . ?
O4 C41 C46 C45 -174.5(3) . . . . ?
C44 C45 C46 C41 -0.1(5) . . . . ?
P1 O5 C47 C48 158.7(4) . . . . ?
P1 O5 C47 C52 -28.4(9) . . . . ?
O5 C47 C48 C49 173.1(9) . . . . ?
C52 C47 C48 C49 0.0 . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C49 C50 C51 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C47 0.0 . . . . ?
O5 C47 C52 C51 -172.7(10) . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
P1 O5 C47A C48A 152.0(4) . . . . ?
P1 O5 C47A C52A -25.7(8) . . . . ?
C52A C47A C48A C49A 0.0 . . . . ?
O5 C47A C48A C49A -177.8(8) . . . . ?
C47A C48A C49A C50A 0.0 . . . . ?
C48A C49A C50A C51A 0.0 . . . . ?
C49A C50A C51A C52A 0.0 . . . . ?
C50A C51A C52A C47A 0.0 . . . . ?
C48A C47A C52A C51A 0.0 . . . . ?
O5 C47A C52A C51A 177.6(9) . . . . ?
P2 O6 C53 C54 83.2(3) . . . . ?
P2 O6 C53 C58 -101.5(3) . . . . ?
C58 C53 C54 C55 1.4(5) . . . . ?
O6 C53 C54 C55 176.5(3) . . . . ?
C53 C54 C55 C56 -1.1(6) . . . . ?
C54 C55 C56 C57 -0.1(6) . . . . ?
C55 C56 C57 C58 0.9(6) . . . . ?
C54 C53 C58 C57 -0.6(5) . . . . ?
O6 C53 C58 C57 -175.8(3) . . . . ?
C56 C57 C58 C53 -0.6(5) . . . . ?
P2 O7 C59 C64 116.8(4) . . . . ?
P2 O7 C59 C60 -65.3(4) . . . . ?
C64 C59 C60 C61 -0.4(6) . . . . ?
O7 C59 C60 C61 -178.2(3) . . . . ?
C59 C60 C61 C62 0.5(6) . . . . ?
C60 C61 C62 C63 -0.4(7) . . . . ?
C61 C62 C63 C64 0.1(9) . . . . ?
C60 C59 C64 C63 0.1(8) . . . . ?
O7 C59 C64 C63 178.0(5) . . . . ?
C62 C63 C64 C59 0.1(10) . . . . ?
P2 O8 C65 C66 -101.9(4) . . . . ?
P2 O8 C65 C70 84.1(5) . . . . ?
C70 C65 C66 C67 0.0 . . . . ?
O8 C65 C66 C67 -174.2(5) . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C68 C69 C70 C65 0.0 . . . . ?
C66 C65 C70 C69 0.0 . . . . ?
O8 C65 C70 C69 173.7(6) . . . . ?
P2 O8 C65A C66A -49.7(5) . . . . ?
P2 O8 C65A C70A 127.7(3) . . . . ?
O8 C65A C66A C67A 177.4(4) . . . . ?
C70A C65A C66A C67A 0.0 . . . . ?
C65A C66A C67A C68A 0.0 . . . . ?
C66A C67A C68A C69A 0.0 . . . . ?
C67A C68A C69A C70A 0.0 . . . . ?
C68A C69A C70A C65A 0.0 . . . . ?
O8 C65A C70A C69A -177.5(4) . . . . ?
C66A C65A C70A C69A 0.0 . . . . ?
C72 C71A O9 C74 7.8(9) . . . . ?
O9 C71A C72 C73 -26.3(10) . . . . ?
C71A C72 C73 C74 35.7(10) . . . . ?
C71A O9 C74 C73 16.6(8) . . . . ?
C72 C73 C74 O9 -31.3(8) . . . . ?
C72A C71A O9A C74A -37(4) . . . . ?
O9A C71A C72A C73A 25(5) . . . . ?
C71A C72A C73A C74A -2(7) . . . . ?
C72A C73A C74A O9A -22(7) . . . . ?
C71A O9A C74A C73A 45(6) . . . . ?
C78 O10 C75 C76 36.9(19) . . . . ?
O10 C75 C76 C77 -27.1(18) . . . . ?
C75 C76 C77 C78 8.2(17) . . . . ?
C75 O10 C78 C77 -32(2) . . . . ?
C76 C77 C78 O10 14(2) . . . . ?
C78A O10A C75A C76A 34(6) . . . . ?
O10A C75A C76A C77A -36(6) . . . . ?
C75A C76A C77A C78A 24(6) . . . . ?
C75A O10A C78A C77A -18(7) . . . . ?
C76A C77A C78A O10A -4(7) . . . . ?
