#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:22:44 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261710 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/72/1557251.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_1557251
loop_
_publ_author_name
'Peralta, Ricardo A.'
'Huxley, Michael T.'
'Young, Rosemary J.'
'Linder-Patton, Oliver M'
'Evans, Jack D.'
'Doonan, Christian J.'
'Sumby, Christopher J.'
_publ_section_title
;
 MOF matrix isolation: cooperative conformational mobility enables
 reliable single crystal transformations.
;
_journal_issue                   0
_journal_name_full               'Faraday discussions'
_journal_page_first              84
_journal_page_last               99
_journal_paper_doi               10.1039/d0fd00012d
_journal_volume                  225
_journal_year                    2021
_chemical_formula_moiety
'C77 H66 Mn3 N12 O14 Rh, C2 Cl2 O2 Rh, 8(C4 H5)'
_chemical_formula_sum            'C111 H106 Cl2 Mn3 N12 O16 Rh2'
_chemical_formula_weight         2305.61
_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_date             2020-01-15
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-01-15 deposited with the CCDC.	2020-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.10(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.339(3)
_cell_length_b                   33.798(7)
_cell_length_c                   25.762(5)
_cell_measurement_reflns_used    136906
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.149
_cell_measurement_theta_min      0.998
_cell_volume                     10683(4)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'BluIce (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.794
_diffrn_measurement_device_type  'ADSC Quantum 210r'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71092
_diffrn_reflns_av_R_equivalents  0.0904
_diffrn_reflns_av_unetI/netI     0.0611
_diffrn_reflns_Laue_measured_fraction_full 0.926
_diffrn_reflns_Laue_measured_fraction_max 0.794
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            136906
_diffrn_reflns_point_group_measured_fraction_full 0.926
_diffrn_reflns_point_group_measured_fraction_max 0.794
_diffrn_reflns_theta_full        27.000
_diffrn_reflns_theta_max         29.149
_diffrn_reflns_theta_min         0.998
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XDS (Kabsch, 1993)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_description       plate
_exptl_crystal_F_000             4732
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.123
_refine_diff_density_min         -1.361
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1335
_refine_ls_number_reflns         22874
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.1554
_refine_ls_R_factor_gt           0.1033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1891P)²+27.2926P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2994
_refine_ls_wR_factor_ref         0.3403
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12957
_reflns_number_total             22874
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0fd00012d2.cif
_cod_data_source_block           MnMOF-1[Rh(CO)2][RhCl2(CO)2](p-xylene)
_cod_depositor_comments
'Adding full bibliography for 1557244--1557251.cif.'
_cod_database_code               1557251
_shelx_shelxl_version_number     2014/7
_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   0.955
_shelx_estimated_absorpt_t_min   0.631
_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.a Secondary CH2 refined with riding coordinates:
 C1A(H1AA,H1AB), C1B(H1BA,H1BB), C1C(H1CA,H1CB)
2.b Aromatic/amide H refined with riding coordinates:
 C32A(H32A), C32B(H32B), C32C(H32C), C33A(H33A), C33B(H33B), C33C(H33C),
 C35A(H35A), C35B(H35B), C35C(H35C), C36A(H36A), C36B(H36B), C36C(H36C),
 C42A(H42A), C42B(H42B), C42C(H42C), C43A(H43A), C43B(H43B), C43C(H43C),
 C45A(H45A), C45B(H45B), C45C(H45C), C46A(H46A), C46B(H46B), C46C(H46C),
 C72(H72), C73(H73), C75(H75), C76(H76), C82(H82), C83(H83), C85(H85), C86(H86),
  C92(H92), C93(H93), C95(H95), C96(H96), C102(H102), C106(H106), C112(H112),
 C113(H113)
2.c Idealised Me refined as rotating group:
 C117(H11A,H11B,H11C), C16A(H16A,H16B,H16C), C16B(H16D,H16E,H16F), C16C(H16G,
 H16H,H16I), C17A(H17A,H17B,H17C), C17B(H17D,H17E,H17F), C17C(H17G,H17H,H17I),
 C26A(H26A,H26B,H26C), C26B(H26D,H26E,H26F), C26C(H26G,H26H,H26I), C27A(H27A,
 H27B,H27C), C27B(H27D,H27E,H27F), C27C(H27G,H27H,H27I), C77(H77A,H77B,H77C),
 C78(H78A,H78B,H78C), C87(H87A,H87B,H87C), C88(H88A,H88B,H88C), C97(H97A,H97B,
 H97C), C98(H98A,H98B,H98C), C107(H10A,H10B,H10C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Rh01 Rh 1.22348(6) 0.27352(2) 0.83519(3) 0.0674(2) Uani 1 1 d .
Mn1 Mn 0.66071(9) 0.57285(3) 0.79965(4) 0.0483(3) Uani 1 1 d .
Cl1 Cl 1.1435(3) 0.27440(10) 0.69137(12) 0.0951(9) Uani 1 1 d .
C1A C 0.8503(6) 0.6318(2) 0.3782(3) 0.0485(16) Uani 1 1 d .
H1AA H 0.7921 0.6393 0.3505 0.058 Uiso 1 1 calc R
H1AB H 0.8718 0.6557 0.3989 0.058 Uiso 1 1 calc R
C1B C 0.2552(6) 0.3442(2) 1.1405(3) 0.0489(16) Uani 1 1 d .
H1BA H 0.2353 0.3178 1.1257 0.059 Uiso 1 1 calc R
H1BB H 0.3153 0.3406 1.1688 0.059 Uiso 1 1 calc R
C1C C 1.0979(7) 0.2667(2) 0.9334(4) 0.061(2) Uani 1 1 d .
H1CA H 1.0620 0.2646 0.9658 0.073 Uiso 1 1 calc R
H1CB H 1.1775 0.2685 0.9432 0.073 Uiso 1 1 calc R
C117 C 0.8470(14) 0.4340(5) 0.4958(9) 0.163(8) Uani 1 1 d .
H11A H 0.7880 0.4406 0.5169 0.245 Uiso 1 1 calc GR
H11B H 0.8850 0.4103 0.5100 0.245 Uiso 1 1 calc GR
H11C H 0.8165 0.4290 0.4597 0.245 Uiso 1 1 calc GR
Rh2 Rh 1.26752(7) 0.27226(2) 0.62968(4) 0.0825(3) Uani 1 1 d .
Mn2 Mn 0.45508(9) 0.50535(3) 0.74931(4) 0.0475(3) Uani 1 1 d .
Cl2 Cl 1.1246(3) 0.26544(7) 0.56179(10) 0.0851(8) Uani 1 1 d .
Mn3 Mn 0.23642(9) 0.44376(3) 0.69714(4) 0.0472(3) Uani 1 1 d .
N11A N 0.8086(5) 0.60191(19) 0.4122(3) 0.0540(15) Uani 1 1 d .
N11B N 0.2916(5) 0.36956(18) 1.0998(3) 0.0517(15) Uani 1 1 d .
N11C N 1.0608(6) 0.3019(2) 0.9057(3) 0.0582(16) Uani 1 1 d .
N12A N 0.7528(5) 0.57042(19) 0.3896(2) 0.0519(15) Uani 1 1 d .
N12B N 0.3393(5) 0.40491(18) 1.1153(2) 0.0494(14) Uani 1 1 d .
N12C N 1.1020(6) 0.3090(2) 0.8588(3) 0.0618(17) Uani 1 1 d .
C13A C 0.7114(6) 0.5521(2) 0.4289(3) 0.0526(18) Uani 1 1 d .
C13B C 0.3578(6) 0.4231(2) 1.0713(3) 0.0527(18) Uani 1 1 d .
C13C C 1.0448(7) 0.3392(2) 0.8371(4) 0.062(2) Uani 1 1 d .
C14A C 0.7398(7) 0.5709(2) 0.4761(3) 0.0562(19) Uani 1 1 d .
C14B C 0.3221(6) 0.3992(2) 1.0266(3) 0.0509(17) Uani 1 1 d .
C14C C 0.9693(7) 0.3521(2) 0.8704(3) 0.0588(19) Uani 1 1 d .
C15A C 0.8054(6) 0.6030(2) 0.4647(3) 0.0556(19) Uani 1 1 d .
C15B C 0.2814(6) 0.3648(2) 1.0481(3) 0.0513(17) Uani 1 1 d .
C15C C 0.9817(7) 0.3279(2) 0.9136(4) 0.061(2) Uani 1 1 d .
C16A C 0.6438(7) 0.5151(3) 0.4198(3) 0.061(2) Uani 1 1 d .
H16A H 0.5666 0.5222 0.4137 0.091 Uiso 1 1 calc GR
H16B H 0.6556 0.4979 0.4505 0.091 Uiso 1 1 calc GR
H16C H 0.6654 0.5011 0.3892 0.091 Uiso 1 1 calc GR
C16B C 0.4102(8) 0.4630(3) 1.0723(3) 0.064(2) Uani 1 1 d .
H16D H 0.4256 0.4719 1.1085 0.096 Uiso 1 1 calc GR
H16E H 0.3609 0.4818 1.0529 0.096 Uiso 1 1 calc GR
H16F H 0.4784 0.4614 1.0561 0.096 Uiso 1 1 calc GR
C16C C 1.0627(9) 0.3545(3) 0.7843(4) 0.077(3) Uani 1 1 d .
H16G H 1.1245 0.3729 0.7874 0.116 Uiso 1 1 calc GR
H16H H 0.9970 0.3683 0.7691 0.116 Uiso 1 1 calc GR
H16I H 1.0782 0.3323 0.7617 0.116 Uiso 1 1 calc GR
C17A C 0.8624(8) 0.6335(3) 0.4993(3) 0.068(2) Uani 1 1 d .
H17A H 0.9403 0.6273 0.5049 0.102 Uiso 1 1 calc GR
H17B H 0.8320 0.6337 0.5330 0.102 Uiso 1 1 calc GR
H17C H 0.8523 0.6595 0.4829 0.102 Uiso 1 1 calc GR
C17B C 0.2380(8) 0.3287(3) 1.0205(3) 0.065(2) Uani 1 1 d .
H17D H 0.2661 0.3052 1.0398 0.097 Uiso 1 1 calc GR
H17E H 0.2610 0.3282 0.9853 0.097 Uiso 1 1 calc GR
H17F H 0.1582 0.3289 1.0183 0.097 Uiso 1 1 calc GR
C17C C 0.9179(8) 0.3267(3) 0.9586(4) 0.069(2) Uani 1 1 d .
H17G H 0.9126 0.2993 0.9706 0.104 Uiso 1 1 calc GR
H17H H 0.8446 0.3371 0.9484 0.104 Uiso 1 1 calc GR
H17I H 0.9539 0.3429 0.9870 0.104 Uiso 1 1 calc GR
N21A N 0.9428(5) 0.61681(18) 0.3547(2) 0.0495(14) Uani 1 1 d .
N21B N 0.1614(5) 0.36165(18) 1.1617(2) 0.0494(14) Uani 1 1 d .
N21C N 1.0739(6) 0.2317(2) 0.9017(3) 0.0587(16) Uani 1 1 d .
N22A N 0.9242(5) 0.58652(18) 0.3189(2) 0.0467(13) Uani 1 1 d .
N22B N 0.1799(5) 0.39516(19) 1.1913(2) 0.0515(14) Uani 1 1 d .
N22C N 1.1295(6) 0.2268(2) 0.8594(3) 0.0626(18) Uani 1 1 d .
C23A C 1.0241(6) 0.5767(2) 0.3068(3) 0.0516(17) Uani 1 1 d .
C23B C 0.0810(6) 0.4083(2) 1.2002(3) 0.0544(18) Uani 1 1 d .
C23C C 1.0889(8) 0.1940(3) 0.8364(4) 0.070(2) Uani 1 1 d .
C24A C 1.1042(6) 0.6006(2) 0.3335(3) 0.0514(17) Uani 1 1 d .
C24B C -0.0003(6) 0.3826(2) 1.1771(3) 0.0521(17) Uani 1 1 d .
C24C C 1.0065(7) 0.1785(3) 0.8635(3) 0.061(2) Uani 1 1 d .
C25A C 1.0493(6) 0.6259(2) 0.3642(3) 0.0526(18) Uani 1 1 d .
C25B C 0.0546(6) 0.3534(2) 1.1528(3) 0.0508(17) Uani 1 1 d .
C25C C 0.9987(7) 0.2036(2) 0.9056(3) 0.0573(19) Uani 1 1 d .
C26A C 1.0363(7) 0.5450(3) 0.2680(4) 0.063(2) Uani 1 1 d .
H26A H 1.0514 0.5198 0.2862 0.094 Uiso 1 1 calc GR
H26B H 1.0968 0.5515 0.2478 0.094 Uiso 1 1 calc GR
H26C H 0.9688 0.5427 0.2445 0.094 Uiso 1 1 calc GR
C26B C 0.0696(7) 0.4458(3) 1.2284(4) 0.065(2) Uani 1 1 d .
H26D H 0.1305 0.4486 1.2559 0.097 Uiso 1 1 calc GR
H26E H 0.0007 0.4457 1.2442 0.097 Uiso 1 1 calc GR
H26F H 0.0700 0.4680 1.2039 0.097 Uiso 1 1 calc GR
C26C C 1.1254(10) 0.1793(4) 0.7853(5) 0.090(3) Uani 1 1 d .
H26G H 1.1301 0.2017 0.7615 0.134 Uiso 1 1 calc GR
H26H H 1.0727 0.1600 0.7695 0.134 Uiso 1 1 calc GR
H26I H 1.1972 0.1668 0.7921 0.134 Uiso 1 1 calc GR
C27A C 1.0908(7) 0.6564(3) 0.4025(4) 0.063(2) Uani 1 1 d .
H27A H 1.0531 0.6815 0.3941 0.094 Uiso 1 1 calc GR
H27B H 1.1692 0.6599 0.4010 0.094 Uiso 1 1 calc GR
H27C H 1.0775 0.6479 0.4376 0.094 Uiso 1 1 calc GR
C27B C 0.0110(7) 0.3189(2) 1.1205(4) 0.060(2) Uani 1 1 d .
H27D H 0.0395 0.3197 1.0865 0.090 Uiso 1 1 calc GR
H27E H -0.0687 0.3201 1.1156 0.090 Uiso 1 1 calc GR
H27F H 0.0339 0.2942 1.1384 0.090 Uiso 1 1 calc GR
C27C C 0.9246(8) 0.2022(3) 0.9470(3) 0.066(2) Uani 1 1 d .
H27G H 0.9672 0.2041 0.9813 0.099 Uiso 1 1 calc GR
H27H H 0.8840 0.1772 0.9446 0.099 Uiso 1 1 calc GR
H27I H 0.8733 0.2244 0.9426 0.099 Uiso 1 1 calc GR
C31A C 0.7101(6) 0.5610(3) 0.5286(3) 0.0559(19) Uani 1 1 d .
C31B C 0.3215(6) 0.4095(2) 0.9716(3) 0.0517(17) Uani 1 1 d .
C31C C 0.8916(7) 0.3858(2) 0.8597(4) 0.063(2) Uani 1 1 d .
C32A C 0.6016(8) 0.5568(3) 0.5373(3) 0.065(2) Uani 1 1 d .
H32A H 0.5464 0.5578 0.5086 0.078 Uiso 1 1 calc R
C32B C 0.4075(7) 0.4293(3) 0.9526(3) 0.059(2) Uani 1 1 d .
H32B H 0.4723 0.4340 0.9752 0.071 Uiso 1 1 calc R
C32C C 0.9099(7) 0.4218(3) 0.8840(3) 0.060(2) Uani 1 1 d .
H32C H 0.9688 0.4247 0.9106 0.071 Uiso 1 1 calc R
C33A C 0.5730(8) 0.5511(3) 0.5875(4) 0.065(2) Uani 1 1 d .
H33A H 0.4988 0.5470 0.5929 0.078 Uiso 1 1 calc R
C33B C 0.4012(7) 0.4425(2) 0.9015(3) 0.0560(19) Uani 1 1 d .
H33B H 0.4611 0.4562 0.8894 0.067 Uiso 1 1 calc R
C33C C 0.8426(7) 0.4538(2) 0.8700(3) 0.0580(19) Uani 1 1 d .
H33C H 0.8563 0.4785 0.8868 0.070 Uiso 1 1 calc R
C34A C 0.6526(7) 0.5513(3) 0.6299(3) 0.059(2) Uani 1 1 d .
C34B C 0.3073(7) 0.4358(2) 0.8676(3) 0.0552(18) Uani 1 1 d .
C34C C 0.7564(7) 0.4500(2) 0.8319(3) 0.0574(19) Uani 1 1 d .
C35A C 0.7584(7) 0.5524(3) 0.6211(3) 0.064(2) Uani 1 1 d .
H35A H 0.8132 0.5503 0.6499 0.077 Uiso 1 1 calc R
C35B C 0.2226(7) 0.4153(2) 0.8855(3) 0.0557(19) Uani 1 1 d .
H35B H 0.1595 0.4096 0.8623 0.067 Uiso 1 1 calc R
C35C C 0.7366(8) 0.4134(3) 0.8083(4) 0.068(2) Uani 1 1 d .
H35C H 0.6756 0.4102 0.7829 0.081 Uiso 1 1 calc R
C36A C 0.7895(8) 0.5565(3) 0.5708(4) 0.072(2) Uani 1 1 d .
H36A H 0.8645 0.5563 0.5654 0.086 Uiso 1 1 calc R
C36B C 0.2279(7) 0.4031(2) 0.9361(3) 0.059(2) Uani 1 1 d .
H36B H 0.1670 0.3898 0.9477 0.070 Uiso 1 1 calc R
C36C C 0.8040(8) 0.3819(3) 0.8211(4) 0.068(2) Uani 1 1 d .
H36C H 0.7910 0.3573 0.8036 0.082 Uiso 1 1 calc R
C37A C 0.6194(6) 0.5500(3) 0.6846(3) 0.0550(18) Uani 1 1 d .
C37B C 0.3023(6) 0.4515(2) 0.8133(3) 0.0510(17) Uani 1 1 d .
C37C C 0.6867(6) 0.4849(2) 0.8140(3) 0.0524(18) Uani 1 1 d .
O38A O 0.6821(5) 0.5644(2) 0.7204(2) 0.0680(16) Uani 1 1 d .
O38B O 0.3665(5) 0.47890(17) 0.8049(2) 0.0591(13) Uani 1 1 d .
O38C O 0.7246(4) 0.51866(16) 0.8272(2) 0.0569(13) Uani 1 1 d .
O39A O 0.5325(5) 0.53287(18) 0.6899(2) 0.0640(15) Uani 1 1 d .
O39B O 0.2326(4) 0.43684(17) 0.7788(2) 0.0557(13) Uani 1 1 d .
O39C O 0.5993(4) 0.47882(16) 0.7860(2) 0.0598(14) Uani 1 1 d .
C41A C 1.2227(7) 0.5981(2) 0.3293(3) 0.0566(19) Uani 1 1 d .
C41B C -0.1191(6) 0.3869(2) 1.1799(3) 0.0554(18) Uani 1 1 d .
C41C C 0.9470(8) 0.1410(3) 0.8512(4) 0.065(2) Uani 1 1 d .
C42A C 1.2833(6) 0.6310(2) 0.3160(3) 0.0533(18) Uani 1 1 d .
H42A H 1.2497 0.6563 0.3120 0.064 Uiso 1 1 calc R
C42B C -0.1845(6) 0.3555(2) 1.1926(3) 0.0562(19) Uani 1 1 d .
H42B H -0.1539 0.3298 1.1976 0.067 Uiso 1 1 calc R
C42C C 1.0009(8) 0.1056(3) 0.8543(4) 0.071(2) Uani 1 1 d .
H42C H 1.0771 0.1051 0.8646 0.086 Uiso 1 1 calc R
C43A C 1.3933(6) 0.6265(2) 0.3088(3) 0.0541(18) Uani 1 1 d .
H43A H 1.4342 0.6488 0.2999 0.065 Uiso 1 1 calc R
C43B C -0.2923(7) 0.3614(2) 1.1980(3) 0.059(2) Uani 1 1 d .
H43B H -0.3354 0.3395 1.2067 0.071 Uiso 1 1 calc R
C43C C 0.9451(7) 0.0700(3) 0.8424(4) 0.065(2) Uani 1 1 d .
H43C H 0.9833 0.0456 0.8457 0.077 Uiso 1 1 calc R
C44A C 1.4437(6) 0.5896(2) 0.3144(3) 0.0537(18) Uani 1 1 d .
C44B C -0.3418(7) 0.3993(2) 1.1908(3) 0.0514(17) Uani 1 1 d .
C44C C 0.8370(8) 0.0704(3) 0.8261(3) 0.063(2) Uani 1 1 d .
C45A C 1.3836(7) 0.5577(2) 0.3309(4) 0.060(2) Uani 1 1 d .
H45A H 1.4176 0.5327 0.3368 0.072 Uiso 1 1 calc R
C45B C -0.2761(6) 0.4297(2) 1.1758(3) 0.0541(18) Uani 1 1 d .
H45B H -0.3068 0.4552 1.1692 0.065 Uiso 1 1 calc R
C45C C 0.7817(8) 0.1057(3) 0.8219(4) 0.071(2) Uani 1 1 d .
H45C H 0.7062 0.1060 0.8099 0.085 Uiso 1 1 calc R
C46A C 1.2763(7) 0.5623(2) 0.3387(4) 0.061(2) Uani 1 1 d .
H46A H 1.2376 0.5405 0.3509 0.073 Uiso 1 1 calc R
C46B C -0.1670(6) 0.4237(2) 1.1702(3) 0.0536(18) Uani 1 1 d .
H46B H -0.1243 0.4451 1.1597 0.064 Uiso 1 1 calc R
C46C C 0.8364(8) 0.1417(3) 0.8354(4) 0.072(2) Uani 1 1 d .
H46C H 0.7976 0.1660 0.8336 0.086 Uiso 1 1 calc R
C47A C 1.5574(7) 0.5838(2) 0.3045(3) 0.0557(19) Uani 1 1 d .
C47B C -0.4550(6) 0.4061(2) 1.2005(3) 0.0513(17) Uani 1 1 d .
C47C C 0.7769(7) 0.0320(3) 0.8097(3) 0.0557(19) Uani 1 1 d .
O48A O 1.6229(4) 0.61203(16) 0.3020(2) 0.0564(13) Uani 1 1 d .
O48B O -0.4888(4) 0.44235(15) 1.19897(19) 0.0500(12) Uani 1 1 d .
O48C O 0.6830(5) 0.03553(17) 0.7888(2) 0.0624(14) Uani 1 1 d .
O49A O 1.5901(4) 0.54764(16) 0.29956(19) 0.0510(12) Uani 1 1 d .
O49B O -0.5182(4) 0.37867(16) 1.2079(2) 0.0560(13) Uani 1 1 d .
O49C O 0.8285(5) 0.00037(16) 0.8184(2) 0.0595(14) Uani 1 1 d .
C60 C 1.3076(9) 0.3181(4) 0.8184(5) 0.084(3) Uani 1 1 d .
O61 O 1.3597(7) 0.3437(2) 0.8110(4) 0.099(2) Uani 1 1 d .
C62 C 1.3323(10) 0.2414(4) 0.8136(6) 0.094(3) Uani 1 1 d .
O63 O 1.3979(10) 0.2227(3) 0.8000(6) 0.154(5) Uani 1 1 d .
C64 C 1.3690(11) 0.2811(4) 0.6853(7) 0.106(4) Uani 1 1 d .
O65 O 1.4375(9) 0.2878(3) 0.7195(5) 0.120(3) Uani 1 1 d .
C66 C 1.3607(17) 0.2702(5) 0.5832(6) 0.136(7) Uani 1 1 d .
O67 O 1.4328(11) 0.2613(4) 0.5558(6) 0.159(5) Uani 1 1 d .
C71 C 1.5057(14) 0.1454(4) 0.8960(6) 0.112(4) Uani 1 1 d .
C72 C 1.5990(13) 0.1375(5) 0.9277(7) 0.126(5) Uani 1 1 d .
H72 H 1.6642 0.1326 0.9122 0.151 Uiso 1 1 calc R
C73 C 1.6024(13) 0.1364(5) 0.9810(7) 0.122(5) Uani 1 1 d .
H73 H 1.6673 0.1275 1.0006 0.146 Uiso 1 1 calc R
C74 C 1.5180(14) 0.1472(4) 1.0067(6) 0.106(4) Uani 1 1 d .
C75 C 1.4193(14) 0.1588(4) 0.9733(6) 0.115(4) Uani 1 1 d .
H75 H 1.3565 0.1670 0.9889 0.138 Uiso 1 1 calc R
C76 C 1.4165(15) 0.1582(4) 0.9202(6) 0.118(5) Uani 1 1 d .
H76 H 1.3525 0.1667 0.8995 0.141 Uiso 1 1 calc R
C77 C 1.5022(15) 0.1417(5) 0.8389(6) 0.129(5) Uani 1 1 d .
H77A H 1.5516 0.1611 0.8258 0.193 Uiso 1 1 calc GR
H77B H 1.4277 0.1465 0.8229 0.193 Uiso 1 1 calc GR
H77C H 1.5249 0.1150 0.8300 0.193 Uiso 1 1 calc GR
C78 C 1.5174(18) 0.1453(6) 1.0635(7) 0.161(7) Uani 1 1 d .
H78A H 1.5641 0.1235 1.0774 0.242 Uiso 1 1 calc GR
H78B H 1.4428 0.1409 1.0720 0.242 Uiso 1 1 calc GR
H78C H 1.5450 0.1703 1.0791 0.242 Uiso 1 1 calc GR
C81 C 1.7622(12) 0.2524(3) 0.6646(9) 0.127(6) Uani 1 1 d .
C82 C 1.8586(13) 0.2607(3) 0.6956(9) 0.122(5) Uani 1 1 d .
H82 H 1.9228 0.2644 0.6788 0.146 Uiso 1 1 calc R
C83 C 1.8664(11) 0.2637(4) 0.7495(8) 0.111(5) Uani 1 1 d .
H83 H 1.9354 0.2687 0.7684 0.134 Uiso 1 1 calc R
C84 C 1.7798(13) 0.2598(4) 0.7753(9) 0.119(5) Uani 1 1 d .
C85 C 1.6826(13) 0.2512(4) 0.7473(8) 0.116(5) Uani 1 1 d .
H85 H 1.6196 0.2479 0.7651 0.140 Uiso 1 1 calc R
C86 C 1.6742(11) 0.2473(4) 0.6963(10) 0.130(7) Uani 1 1 d .
H86 H 1.6046 0.2407 0.6791 0.156 Uiso 1 1 calc R
C87 C 1.7521(15) 0.2477(5) 0.6052(8) 0.138(6) Uani 1 1 d .
H87A H 1.8232 0.2525 0.5927 0.207 Uiso 1 1 calc GR
H87B H 1.6990 0.2669 0.5892 0.207 Uiso 1 1 calc GR
H87C H 1.7277 0.2209 0.5958 0.207 Uiso 1 1 calc GR
C88 C 1.7857(16) 0.2633(5) 0.8348(9) 0.146(7) Uani 1 1 d .
H88A H 1.8616 0.2607 0.8500 0.219 Uiso 1 1 calc GR
H88B H 1.7419 0.2423 0.8485 0.219 Uiso 1 1 calc GR
H88C H 1.7574 0.2891 0.8441 0.219 Uiso 1 1 calc GR
C91 C -0.3356(11) 0.3807(5) 0.9929(6) 0.103(4) Uani 1 1 d .
C92 C -0.3667(16) 0.3545(7) 1.0273(9) 0.162(8) Uani 1 1 d .
H92 H -0.3486 0.3574 1.0639 0.195 Uiso 1 1 calc R
C93 C -0.429(2) 0.3217(8) 1.0050(10) 0.203(11) Uani 1 1 d .
H93 H -0.4656 0.3049 1.0273 0.243 Uiso 1 1 calc R
C94 C -0.4382(16) 0.3140(8) 0.9525(8) 0.170(9) Uani 1 1 d .
C95 C -0.4017(14) 0.3407(6) 0.9221(8) 0.135(6) Uani 1 1 d .
H95 H -0.4087 0.3357 0.8856 0.162 Uiso 1 1 calc R
C96 C -0.3538(12) 0.3754(5) 0.9399(7) 0.116(5) Uani 1 1 d .
H96 H -0.3341 0.3952 0.9163 0.140 Uiso 1 1 calc R
C97 C -0.2786(15) 0.4178(5) 1.0143(8) 0.147(6) Uani 1 1 d .
H97A H -0.3224 0.4305 1.0391 0.220 Uiso 1 1 calc GR
H97B H -0.2695 0.4361 0.9855 0.220 Uiso 1 1 calc GR
H97C H -0.2069 0.4109 1.0320 0.220 Uiso 1 1 calc GR
C98 C -0.479(2) 0.2733(7) 0.9331(12) 0.217(12) Uani 1 1 d .
H98A H -0.4837 0.2725 0.8949 0.326 Uiso 1 1 calc GR
H98B H -0.5519 0.2686 0.9441 0.326 Uiso 1 1 calc GR
H98C H -0.4291 0.2528 0.9478 0.326 Uiso 1 1 calc GR
C101 C 0.0248(9) 0.4664(3) 1.0312(4) 0.073(2) Uani 1 1 d .
C102 C 0.0942(9) 0.4799(3) 0.9969(4) 0.078(3) Uani 1 1 d .
H102 H 0.1600 0.4660 0.9935 0.094 Uiso 1 1 calc R
C106 C -0.0702(9) 0.4868(3) 1.0327(5) 0.085(3) Uani 1 1 d .
H106 H -0.1216 0.4777 1.0549 0.102 Uiso 1 1 calc R
C107 C 0.0535(10) 0.4309(3) 1.0637(5) 0.095(4) Uani 1 1 d .
H10A H 0.0858 0.4392 1.0984 0.143 Uiso 1 1 calc GR
H10B H 0.1060 0.4147 1.0471 0.143 Uiso 1 1 calc GR
H10C H -0.0124 0.4153 1.0671 0.143 Uiso 1 1 calc GR
C111 C 0.9260(9) 0.4680(4) 0.4969(6) 0.090(3) Uani 1 1 d .
C112 C 0.9335(10) 0.4931(4) 0.4563(5) 0.094(4) Uani 1 1 d .
H112 H 0.8865 0.4890 0.4252 0.112 Uiso 1 1 calc R
C113 C 1.0063(11) 0.5246(4) 0.4579(5) 0.098(4) Uani 1 1 d .
H113 H 1.0094 0.5409 0.4281 0.118 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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'
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
N12C Rh01 N22C 84.7(3) . .
C60 Rh01 N12C 92.2(4) . .
C60 Rh01 N22C 175.4(4) . .
C62 Rh01 N12C 179.6(5) . .
C62 Rh01 N22C 95.1(4) . .
C62 Rh01 C60 88.0(5) . .
N12B Mn1 C47B 79.5(2) 3_667 3_567
N12B Mn1 O49B 77.4(2) 3_667 3_567
N22B Mn1 N12B 80.3(2) 3_667 3_667
N22B Mn1 C47B 134.9(2) 3_667 3_567
N22B Mn1 O49B 107.9(2) 3_667 3_567
O38A Mn1 N12B 166.8(2) . 3_667
O38A Mn1 N22B 88.1(2) . 3_667
O38A Mn1 C47B 104.8(2) . 3_567
O38A Mn1 O48B 101.9(2) . 3_567
O38A Mn1 O49B 100.4(2) . 3_567
O38C Mn1 N12B 90.1(2) . 3_667
O38C Mn1 N22B 95.3(2) . 3_667
O38C Mn1 O38A 97.4(2) . .
O38C Mn1 C47B 124.5(2) . 3_567
O38C Mn1 O48B 96.9(2) . 3_567
O38C Mn1 O49B 151.0(2) . 3_567
O48B Mn1 N12B 87.9(2) 3_567 3_667
O48B Mn1 N22B 163.0(2) 3_567 3_667
O48B Mn1 C47B 29.3(2) 3_567 3_567
O48B Mn1 O49B 57.14(19) 3_567 3_567
O49B Mn1 C47B 28.0(2) 3_567 3_567
H1AA C1A H1AB 108.1 . .
N11A C1A H1AA 109.5 . .
N11A C1A H1AB 109.5 . .
N21A C1A H1AA 109.5 . .
N21A C1A H1AB 109.5 . .
N21A C1A N11A 110.7(6) . .
H1BA C1B H1BB 108.1 . .
N11B C1B H1BA 109.6 . .
N11B C1B H1BB 109.6 . .
N21B C1B H1BA 109.6 . .
N21B C1B H1BB 109.6 . .
N21B C1B N11B 110.3(6) . .
H1CA C1C H1CB 108.0 . .
N11C C1C H1CA 109.4 . .
N11C C1C H1CB 109.4 . .
N11C C1C N21C 111.2(7) . .
N21C C1C H1CA 109.4 . .
N21C C1C H1CB 109.4 . .
H11A C117 H11B 109.5 . .
H11A C117 H11C 109.5 . .
H11B C117 H11C 109.5 . .
C111 C117 H11A 109.5 . .
C111 C117 H11B 109.5 . .
C111 C117 H11C 109.5 . .
Cl1 Rh2 Cl2 90.90(11) . .
C64 Rh2 Cl1 84.5(5) . .
C64 Rh2 Cl2 174.1(5) . .
C66 Rh2 Cl1 179.4(5) . .
C66 Rh2 Cl2 89.0(6) . .
C66 Rh2 C64 95.7(8) . .
O38B Mn2 O39A 175.5(2) . .
O38B Mn2 O39C 89.4(2) . .
O38B Mn2 O48B 90.4(2) . 3_567
O38B Mn2 O48C 94.0(2) . 2_656
O38B Mn2 O49A 85.7(2) . 3_766
O39A Mn2 O39C 95.0(2) . .
O39A Mn2 O48B 90.8(2) . 3_567
O39A Mn2 O48C 81.7(2) . 2_656
O39A Mn2 O49A 92.9(2) . 3_766
O39C Mn2 O48B 88.5(2) . 3_567
O39C Mn2 O48C 175.9(2) . 2_656
O39C Mn2 O49A 93.4(2) . 3_766
O48C Mn2 O48B 89.2(2) 2_656 3_567
O48C Mn2 O49A 89.1(2) 2_656 3_766
O49A Mn2 O48B 175.66(19) 3_766 3_567
N22A Mn3 N12A 82.3(2) 3_666 3_666
O39B Mn3 N12A 161.5(2) . 3_666
O39B Mn3 N22A 91.1(2) . 3_666
O39B Mn3 O49A 95.9(2) . 3_766
O49A Mn3 N12A 84.7(2) 3_766 3_666
O49A Mn3 N22A 158.4(2) 3_766 3_666
O49C Mn3 N12A 93.8(2) 2_656 3_666
O49C Mn3 N22A 94.0(2) 2_656 3_666
O49C Mn3 O39B 104.0(2) 2_656 .
O49C Mn3 O49A 104.0(2) 2_656 3_766
N12A N11A C1A 118.4(6) . .
C15A N11A C1A 128.8(7) . .
C15A N11A N12A 112.3(6) . .
N12B N11B C1B 117.2(6) . .
C15B N11B C1B 129.9(7) . .
C15B N11B N12B 112.8(6) . .
N12C N11C C1C 116.7(7) . .
C15C N11C C1C 131.6(7) . .
C15C N11C N12C 111.1(7) . .
N11A N12A Mn3 119.9(5) . 3_666
C13A N12A Mn3 135.0(5) . 3_666
C13A N12A N11A 104.7(6) . .
N11B N12B Mn1 121.0(4) . 3_667
C13B N12B Mn1 132.3(5) . 3_667
C13B N12B N11B 105.2(6) . .
N11C N12C Rh01 120.3(5) . .
C13C N12C Rh01 133.7(6) . .
C13C N12C N11C 105.9(7) . .
N12A C13A C14A 112.0(7) . .
N12A C13A C16A 121.1(7) . .
C14A C13A C16A 126.9(7) . .
N12B C13B C14B 110.9(7) . .
N12B C13B C16B 121.0(7) . .
C14B C13B C16B 128.0(7) . .
N12C C13C C14C 109.7(8) . .
N12C C13C C16C 121.8(8) . .
C14C C13C C16C 128.5(8) . .
C13A C14A C15A 105.5(7) . .
C13A C14A C31A 129.6(7) . .
C15A C14A C31A 124.9(8) . .
C13B C14B C31B 127.9(7) . .
C15B C14B C13B 104.0(7) . .
C15B C14B C31B 128.0(7) . .
C13C C14C C31C 125.3(8) . .
C15C C14C C13C 106.6(8) . .
C15C C14C C31C 128.1(8) . .
N11A C15A C14A 105.5(7) . .
N11A C15A C17A 123.6(7) . .
C14A C15A C17A 131.0(8) . .
N11B C15B C14B 107.1(7) . .
N11B C15B C17B 124.6(7) . .
C14B C15B C17B 128.3(7) . .
N11C C15C C14C 106.6(8) . .
N11C C15C C17C 124.0(8) . .
C14C C15C C17C 129.2(8) . .
C13A C16A H16A 109.5 . .
C13A C16A H16B 109.5 . .
C13A C16A H16C 109.5 . .
H16A C16A H16B 109.5 . .
H16A C16A H16C 109.5 . .
H16B C16A H16C 109.5 . .
C13B C16B H16D 109.5 . .
C13B C16B H16E 109.5 . .
C13B C16B H16F 109.5 . .
H16D C16B H16E 109.5 . .
H16D C16B H16F 109.5 . .
H16E C16B H16F 109.5 . .
C13C C16C H16G 109.5 . .
C13C C16C H16H 109.5 . .
C13C C16C H16I 109.5 . .
H16G C16C H16H 109.5 . .
H16G C16C H16I 109.5 . .
H16H C16C H16I 109.5 . .
C15A C17A H17A 109.5 . .
C15A C17A H17B 109.5 . .
C15A C17A H17C 109.5 . .
H17A C17A H17B 109.5 . .
H17A C17A H17C 109.5 . .
H17B C17A H17C 109.5 . .
C15B C17B H17D 109.5 . .
C15B C17B H17E 109.5 . .
C15B C17B H17F 109.5 . .
H17D C17B H17E 109.5 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.5 . .
C15C C17C H17G 109.5 . .
C15C C17C H17H 109.5 . .
C15C C17C H17I 109.5 . .
H17G C17C H17H 109.5 . .
H17G C17C H17I 109.5 . .
H17H C17C H17I 109.5 . .
N22A N21A C1A 117.3(6) . .
C25A N21A C1A 130.3(7) . .
C25A N21A N22A 112.3(6) . .
N22B N21B C1B 116.8(6) . .
C25B N21B C1B 131.0(6) . .
C25B N21B N22B 111.7(6) . .
N22C N21C C1C 117.4(7) . .
C25C N21C C1C 129.7(7) . .
C25C N21C N22C 112.7(7) . .
N21A N22A Mn3 123.0(4) . 3_666
C23A N22A Mn3 131.5(5) . 3_666
C23A N22A N21A 104.3(6) . .
N21B N22B Mn1 123.5(4) . 3_667
C23B N22B Mn1 128.9(5) . 3_667
C23B N22B N21B 105.5(6) . .
N21C N22C Rh01 119.3(5) . .
C23C N22C Rh01 133.8(6) . .
C23C N22C N21C 105.1(7) . .
N22A C23A C24A 111.1(7) . .
N22A C23A C26A 119.7(7) . .
C24A C23A C26A 129.1(7) . .
N22B C23B C24B 110.1(7) . .
N22B C23B C26B 120.3(7) . .
C24B C23B C26B 129.5(7) . .
N22C C23C C24C 110.5(8) . .
N22C C23C C26C 121.7(9) . .
C24C C23C C26C 127.6(9) . .
C23A C24A C41A 125.6(7) . .
C25A C24A C23A 105.9(7) . .
C25A C24A C41A 128.5(7) . .
C23B C24B C41B 125.6(7) . .
C25B C24B C23B 105.7(7) . .
C25B C24B C41B 128.7(7) . .
C23C C24C C41C 125.7(8) . .
C25C C24C C23C 106.1(8) . .
C25C C24C C41C 128.1(8) . .
N21A C25A C24A 106.4(7) . .
N21A C25A C27A 122.8(7) . .
C24A C25A C27A 130.7(7) . .
N21B C25B C24B 107.1(7) . .
N21B C25B C27B 122.9(7) . .
C24B C25B C27B 130.0(7) . .
N21C C25C C24C 105.6(7) . .
N21C C25C C27C 124.3(8) . .
C24C C25C C27C 130.1(8) . .
C23A C26A H26A 109.5 . .
C23A C26A H26B 109.5 . .
C23A C26A H26C 109.5 . .
H26A C26A H26B 109.5 . .
H26A C26A H26C 109.5 . .
H26B C26A H26C 109.5 . .
C23B C26B H26D 109.5 . .
C23B C26B H26E 109.5 . .
C23B C26B H26F 109.5 . .
H26D C26B H26E 109.5 . .
H26D C26B H26F 109.5 . .
H26E C26B H26F 109.5 . .
C23C C26C H26G 109.5 . .
C23C C26C H26H 109.5 . .
C23C C26C H26I 109.5 . .
H26G C26C H26H 109.5 . .
H26G C26C H26I 109.5 . .
H26H C26C H26I 109.5 . .
C25A C27A H27A 109.5 . .
C25A C27A H27B 109.5 . .
C25A C27A H27C 109.5 . .
H27A C27A H27B 109.5 . .
H27A C27A H27C 109.5 . .
H27B C27A H27C 109.5 . .
C25B C27B H27D 109.5 . .
C25B C27B H27E 109.5 . .
C25B C27B H27F 109.5 . .
H27D C27B H27E 109.5 . .
H27D C27B H27F 109.5 . .
H27E C27B H27F 109.5 . .
C25C C27C H27G 109.5 . .
C25C C27C H27H 109.5 . .
C25C C27C H27I 109.5 . .
H27G C27C H27H 109.5 . .
H27G C27C H27I 109.5 . .
H27H C27C H27I 109.5 . .
C32A C31A C14A 120.5(8) . .
C32A C31A C36A 118.4(8) . .
C36A C31A C14A 121.1(7) . .
C32B C31B C14B 122.1(7) . .
C32B C31B C36B 116.7(7) . .
C36B C31B C14B 120.9(7) . .
C32C C31C C14C 121.2(8) . .
C32C C31C C36C 119.1(8) . .
C36C C31C C14C 119.5(8) . .
C31A C32A H32A 119.7 . .
C31A C32A C33A 120.5(9) . .
C33A C32A H32A 119.7 . .
C31B C32B H32B 119.3 . .
C33B C32B C31B 121.5(8) . .
C33B C32B H32B 119.3 . .
C31C C32C H32C 119.8 . .
C31C C32C C33C 120.3(8) . .
C33C C32C H32C 119.8 . .
C32A C33A H33A 119.9 . .
C34A C33A C32A 120.2(8) . .
C34A C33A H33A 119.9 . .
C32B C33B H33B 119.9 . .
C32B C33B C34B 120.1(7) . .
C34B C33B H33B 119.9 . .
C32C C33C H33C 119.7 . .
C34C C33C C32C 120.7(8) . .
C34C C33C H33C 119.7 . .
C33A C34A C37A 119.6(7) . .
C35A C34A C33A 119.0(8) . .
C35A C34A C37A 121.4(8) . .
C33B C34B C37B 118.5(7) . .
C35B C34B C33B 119.0(8) . .
C35B C34B C37B 122.5(8) . .
C33C C34C C35C 118.9(8) . .
C33C C34C C37C 121.3(7) . .
C35C C34C C37C 119.7(8) . .
C34A C35A H35A 119.2 . .
C34A C35A C36A 121.6(8) . .
C36A C35A H35A 119.2 . .
C34B C35B H35B 119.6 . .
C36B C35B C34B 120.9(8) . .
C36B C35B H35B 119.6 . .
C34C C35C H35C 119.5 . .
C36C C35C C34C 120.9(9) . .
C36C C35C H35C 119.5 . .
C31A C36A C35A 119.7(8) . .
C31A C36A H36A 120.2 . .
C35A C36A H36A 120.2 . .
C31B C36B H36B 119.1 . .
C35B C36B C31B 121.7(8) . .
C35B C36B H36B 119.1 . .
C31C C36C H36C 119.9 . .
C35C C36C C31C 120.1(9) . .
C35C C36C H36C 119.9 . .
O38A C37A C34A 118.2(7) . .
O39A C37A C34A 116.1(7) . .
O39A C37A O38A 125.7(7) . .
O38B C37B C34B 117.5(7) . .
O38B C37B O39B 124.2(7) . .
O39B C37B C34B 118.3(7) . .
O38C C37C C34C 116.3(7) . .
O39C C37C C34C 118.7(7) . .
O39C C37C O38C 125.0(7) . .
C37A O38A Mn1 129.9(5) . .
C37B O38B Mn2 145.1(5) . .
C37C O38C Mn1 125.8(5) . .
C37A O39A Mn2 138.6(6) . .
C37B O39B Mn3 124.5(5) . .
C37C O39C Mn2 145.0(5) . .
C42A C41A C24A 121.9(7) . .
C46A C41A C24A 119.6(7) . .
C46A C41A C42A 118.6(7) . .
C42B C41B C24B 122.5(7) . .
C46B C41B C24B 118.9(7) . .
C46B C41B C42B 118.6(7) . .
C42C C41C C24C 120.6(8) . .
C42C C41C C46C 119.3(9) . .
C46C C41C C24C 120.1(8) . .
C41A C42A H42A 120.2 . .
C43A C42A C41A 119.7(7) . .
C43A C42A H42A 120.2 . .
C41B C42B H42B 119.7 . .
C43B C42B C41B 120.6(8) . .
C43B C42B H42B 119.7 . .
C41C C42C H42C 119.5 . .
C41C C42C C43C 120.9(9) . .
C43C C42C H42C 119.5 . .
C42A C43A H43A 119.6 . .
C44A C43A C42A 120.9(7) . .
C44A C43A H43A 119.6 . .
C42B C43B H43B 119.1 . .
C42B C43B C44B 121.7(8) . .
C44B C43B H43B 119.1 . .
C42C C43C H43C 119.9 . .
C44C C43C C42C 120.2(9) . .
C44C C43C H43C 119.9 . .
C43A C44A C45A 118.4(7) . .
C43A C44A C47A 121.8(7) . .
C45A C44A C47A 119.8(7) . .
C43B C44B C47B 121.6(7) . .
C45B C44B C43B 116.6(7) . .
C45B C44B C47B 121.8(7) . .
C43C C44C C45C 119.8(8) . .
C43C C44C C47C 120.7(8) . .
C45C C44C C47C 119.5(8) . .
C44A C45A H45A 119.7 . .
C46A C45A C44A 120.6(8) . .
C46A C45A H45A 119.7 . .
C44B C45B H45B 119.2 . .
C46B C45B C44B 121.5(8) . .
C46B C45B H45B 119.2 . .
C44C C45C H45C 119.8 . .
C44C C45C C46C 120.5(9) . .
C46C C45C H45C 119.8 . .
C41A C46A H46A 119.2 . .
C45A C46A C41A 121.5(8) . .
C45A C46A H46A 119.2 . .
C41B C46B H46B 119.6 . .
C45B C46B C41B 120.9(7) . .
C45B C46B H46B 119.6 . .
C41C C46C C45C 119.3(9) . .
C41C C46C H46C 120.3 . .
C45C C46C H46C 120.3 . .
O48A C47A C44A 122.8(8) . .
O48A C47A O49A 120.0(8) . .
O49A C47A C44A 117.2(7) . .
C44B C47B Mn1 168.3(6) . 3_567
O48B C47B Mn1 55.8(4) . 3_567
O48B C47B C44B 117.0(7) . .
O49B C47B Mn1 65.2(4) . 3_567
O49B C47B C44B 122.5(7) . .
O49B C47B O48B 120.5(7) . .
O48C C47C C44C 116.5(8) . .
O48C C47C O49C 126.6(8) . .
O49C C47C C44C 116.8(8) . .
Mn1 O48B Mn2 107.3(2) 3_567 3_567
C47B O48B Mn1 95.0(4) . 3_567
C47B O48B Mn2 134.1(5) . 3_567
C47C O48C Mn2 145.5(6) . 2_646
Mn3 O49A Mn2 108.6(2) 3_766 3_766
C47A O49A Mn2 138.7(5) . 3_766
C47A O49A Mn3 100.8(5) . 3_766
C47B O49B Mn1 86.8(5) . 3_567
C47C O49C Mn3 124.7(5) . 2_646
O61 C60 Rh01 176.4(12) . .
O63 C62 Rh01 178.7(12) . .
O65 C64 Rh2 176.7(14) . .
O67 C66 Rh2 166.3(18) . .
C72 C71 C76 116.7(15) . .
C72 C71 C77 120.9(15) . .
C76 C71 C77 122.3(16) . .
C71 C72 H72 118.7 . .
C71 C72 C73 122.6(15) . .
C73 C72 H72 118.7 . .
C72 C73 H73 118.5 . .
C74 C73 C72 123.0(15) . .
C74 C73 H73 118.5 . .
C73 C74 C75 114.9(14) . .
C73 C74 C78 124.6(17) . .
C78 C74 C75 120.3(16) . .
C74 C75 H75 119.5 . .
C76 C75 C74 121.0(16) . .
C76 C75 H75 119.5 . .
C71 C76 H76 119.4 . .
C75 C76 C71 121.1(17) . .
C75 C76 H76 119.4 . .
C71 C77 H77A 109.5 . .
C71 C77 H77B 109.5 . .
C71 C77 H77C 109.5 . .
H77A C77 H77B 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C74 C78 H78A 109.5 . .
C74 C78 H78B 109.5 . .
C74 C78 H78C 109.5 . .
H78A C78 H78B 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C82 C81 C86 111(2) . .
C82 C81 C87 124.7(19) . .
C86 C81 C87 124.7(15) . .
C81 C82 H82 118.2 . .
C83 C82 C81 123.7(19) . .
C83 C82 H82 118.2 . .
C82 C83 H83 119.3 . .
C84 C83 C82 121.4(16) . .
C84 C83 H83 119.3 . .
C83 C84 C85 118(2) . .
C83 C84 C88 122.6(16) . .
C85 C84 C88 119.4(18) . .
C84 C85 H85 119.3 . .
C86 C85 C84 121.5(19) . .
C86 C85 H85 119.3 . .
C81 C86 H86 117.6 . .
C85 C86 C81 124.8(15) . .
C85 C86 H86 117.6 . .
C81 C87 H87A 109.5 . .
C81 C87 H87B 109.5 . .
C81 C87 H87C 109.5 . .
H87A C87 H87B 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C84 C88 H88A 109.5 . .
C84 C88 H88B 109.5 . .
C84 C88 H88C 109.5 . .
H88A C88 H88B 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C92 C91 C96 123.1(18) . .
C92 C91 C97 117.6(18) . .
C96 C91 C97 119.3(16) . .
C91 C92 H92 122.4 . .
C91 C92 C93 115(2) . .
C93 C92 H92 122.4 . .
C92 C93 H93 119.2 . .
C94 C93 C92 122(2) . .
C94 C93 H93 119.2 . .
C93 C94 C98 119(2) . .
C95 C94 C93 118(2) . .
C95 C94 C98 123(2) . .
C94 C95 H95 118.1 . .
C94 C95 C96 124(2) . .
C96 C95 H95 118.1 . .
C91 C96 H96 121.3 . .
C95 C96 C91 117.4(16) . .
C95 C96 H96 121.3 . .
C91 C97 H97A 109.5 . .
C91 C97 H97B 109.5 . .
C91 C97 H97C 109.5 . .
H97A C97 H97B 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C94 C98 H98A 109.5 . .
C94 C98 H98B 109.5 . .
C94 C98 H98C 109.5 . .
H98A C98 H98B 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C102 C101 C107 120.3(9) . .
C106 C101 C102 116.5(9) . .
C106 C101 C107 123.2(10) . .
C101 C102 H102 119.4 . .
C106 C102 C101 121.1(10) 3_567 .
C106 C102 H102 119.4 3_567 .
C101 C106 C102 122.3(10) . 3_567
C101 C106 H106 118.8 . .
C102 C106 H106 118.8 3_567 .
C101 C107 H10A 109.5 . .
C101 C107 H10B 109.5 . .
C101 C107 H10C 109.5 . .
H10A C107 H10B 109.5 . .
H10A C107 H10C 109.5 . .
H10B C107 H10C 109.5 . .
C112 C111 C117 124.0(14) . .
C112 C111 C113 116.8(12) . 3_766
C113 C111 C117 119.2(14) 3_766 .
C111 C112 H112 118.2 . .
C111 C112 C113 123.5(12) . .
C113 C112 H112 118.2 . .
C111 C113 C112 119.7(12) 3_766 .
C111 C113 H113 120.2 3_766 .
C112 C113 H113 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh01 N12C 2.061(7) .
Rh01 N22C 2.093(7) .
Rh01 C60 1.904(12) .
Rh01 C62 1.858(13) .
Mn1 N12B 2.315(6) 3_667
Mn1 N22B 2.234(6) 3_667
Mn1 O38A 2.105(6) .
Mn1 O38C 2.088(5) .
Mn1 C47B 2.636(8) 3_567
Mn1 O48B 2.187(5) 3_567
Mn1 O49B 2.396(6) 3_567
Cl1 Rh2 2.321(3) .
C1A H1AA 0.9900 .
C1A H1AB 0.9900 .
C1A N11A 1.465(9) .
C1A N21A 1.439(9) .
C1B H1BA 0.9900 .
C1B H1BB 0.9900 .
C1B N11B 1.461(10) .
C1B N21B 1.457(9) .
C1C H1CA 0.9900 .
C1C H1CB 0.9900 .
C1C N11C 1.436(11) .
C1C N21C 1.451(11) .
C117 H11A 0.9800 .
C117 H11B 0.9800 .
C117 H11C 0.9800 .
C117 C111 1.505(19) .
Rh2 Cl2 2.359(3) .
Rh2 C64 1.825(17) .
Rh2 C66 1.748(17) .
Mn2 O38B 2.092(6) .
Mn2 O39A 2.106(6) .
Mn2 O39C 2.122(6) .
Mn2 O48B 2.226(5) 3_567
Mn2 O48C 2.134(6) 2_656
Mn2 O49A 2.226(5) 3_766
Mn3 N12A 2.302(6) 3_666
Mn3 N22A 2.230(6) 3_666
Mn3 O39B 2.121(5) .
Mn3 O49A 2.152(5) 3_766
Mn3 O49C 2.096(6) 2_656
N11A N12A 1.365(9) .
N11A C15A 1.358(10) .
N11B N12B 1.372(9) .
N11B C15B 1.336(10) .
N11C N12C 1.380(10) .
N11C C15C 1.345(11) .
N12A Mn3 2.302(6) 3_666
N12A C13A 1.334(10) .
N12B Mn1 2.315(6) 3_667
N12B C13B 1.333(10) .
N12C C13C 1.331(11) .
C13A C14A 1.384(12) .
C13A C16A 1.508(11) .
C13B C14B 1.436(11) .
C13B C16B 1.492(12) .
C13C C14C 1.403(12) .
C13C C16C 1.492(13) .
C14A C15A 1.403(11) .
C14A C31A 1.477(11) .
C14B C15B 1.404(11) .
C14B C31B 1.458(11) .
C14C C15C 1.377(12) .
C14C C31C 1.495(12) .
C15A C17A 1.489(12) .
C15B C17B 1.482(11) .
C15C C17C 1.469(13) .
C16A H16A 0.9800 .
C16A H16B 0.9800 .
C16A H16C 0.9800 .
C16B H16D 0.9800 .
C16B H16E 0.9800 .
C16B H16F 0.9800 .
C16C H16G 0.9800 .
C16C H16H 0.9800 .
C16C H16I 0.9800 .
C17A H17A 0.9800 .
C17A H17B 0.9800 .
C17A H17C 0.9800 .
C17B H17D 0.9800 .
C17B H17E 0.9800 .
C17B H17F 0.9800 .
C17C H17G 0.9800 .
C17C H17H 0.9800 .
C17C H17I 0.9800 .
N21A N22A 1.382(9) .
N21A C25A 1.346(10) .
N21B N22B 1.370(9) .
N21B C25B 1.343(10) .
N21C N22C 1.359(10) .
N21C C25C 1.339(10) .
N22A Mn3 2.230(6) 3_666
N22A C23A 1.344(9) .
N22B Mn1 2.234(6) 3_667
N22B C23B 1.342(9) .
N22C C23C 1.328(11) .
C23A C24A 1.400(11) .
C23A C26A 1.483(12) .
C23B C24B 1.410(11) .
C23B C26B 1.476(12) .
C23C C24C 1.395(13) .
C23C C26C 1.519(14) .
C24A C25A 1.389(11) .
C24A C41A 1.480(11) .
C24B C25B 1.383(11) .
C24B C41B 1.482(11) .
C24C C25C 1.388(12) .
C24C C41C 1.482(12) .
C25A C27A 1.479(11) .
C25B C27B 1.500(11) .
C25C C27C 1.478(12) .
C26A H26A 0.9800 .
C26A H26B 0.9800 .
C26A H26C 0.9800 .
C26B H26D 0.9800 .
C26B H26E 0.9800 .
C26B H26F 0.9800 .
C26C H26G 0.9800 .
C26C H26H 0.9800 .
C26C H26I 0.9800 .
C27A H27A 0.9800 .
C27A H27B 0.9800 .
C27A H27C 0.9800 .
C27B H27D 0.9800 .
C27B H27E 0.9800 .
C27B H27F 0.9800 .
C27C H27G 0.9800 .
C27C H27H 0.9800 .
C27C H27I 0.9800 .
C31A C32A 1.387(12) .
C31A C36A 1.393(13) .
C31B C32B 1.387(11) .
C31B C36B 1.412(12) .
C31C C32C 1.374(12) .
C31C C36C 1.396(13) .
C32A H32A 0.9500 .
C32A C33A 1.392(12) .
C32B H32B 0.9500 .
C32B C33B 1.386(12) .
C32C H32C 0.9500 .
C32C C33C 1.388(12) .
C33A H33A 0.9500 .
C33A C34A 1.389(13) .
C33B H33B 0.9500 .
C33B C34B 1.393(12) .
C33C H33C 0.9500 .
C33C C34C 1.374(12) .
C34A C35A 1.349(12) .
C34A C37A 1.511(11) .
C34B C35B 1.373(11) .
C34B C37B 1.493(11) .
C34C C35C 1.387(12) .
C34C C37C 1.503(11) .
C35A H35A 0.9500 .
C35A C36A 1.397(13) .
C35B H35B 0.9500 .
C35B C36B 1.361(11) .
C35C H35C 0.9500 .
C35C C36C 1.369(13) .
C36A H36A 0.9500 .
C36B H36B 0.9500 .
C36C H36C 0.9500 .
C37A O38A 1.240(10) .
C37A O39A 1.237(9) .
C37B O38B 1.251(9) .
C37B O39B 1.270(10) .
C37C O38C 1.267(9) .
C37C O39C 1.250(10) .
C41A C42A 1.403(11) .
C41A C46A 1.388(12) .
C41B C42B 1.393(11) .
C41B C46B 1.389(11) .
C41C C42C 1.367(13) .
C41C C46C 1.382(13) .
C42A H42A 0.9500 .
C42A C43A 1.398(11) .
C42B H42B 0.9500 .
C42B C43B 1.366(11) .
C42C H42C 0.9500 .
C42C C43C 1.405(12) .
C43A H43A 0.9500 .
C43A C44A 1.393(11) .
C43B H43B 0.9500 .
C43B C44B 1.423(11) .
C43C H43C 0.9500 .
C43C C44C 1.355(13) .
C44A C45A 1.400(11) .
C44A C47A 1.465(11) .
C44B C45B 1.390(11) .
C44B C47B 1.463(11) .
C44C C45C 1.375(13) .
C44C C47C 1.530(12) .
C45A H45A 0.9500 .
C45A C46A 1.369(11) .
C45B H45B 0.9500 .
C45B C46B 1.384(11) .
C45C H45C 0.9500 .
C45C C46C 1.414(13) .
C46A H46A 0.9500 .
C46B H46B 0.9500 .
C46C H46C 0.9500 .
C47A O48A 1.255(9) .
C47A O49A 1.299(10) .
C47B Mn1 2.636(8) 3_567
C47B O48B 1.294(10) .
C47B O49B 1.239(9) .
C47C O48C 1.229(10) .
C47C O49C 1.254(10) .
O48B Mn1 2.187(5) 3_567
O48B Mn2 2.226(5) 3_567
O48C Mn2 2.134(6) 2_646
O49A Mn2 2.226(5) 3_766
O49A Mn3 2.152(5) 3_766
O49B Mn1 2.396(6) 3_567
O49C Mn3 2.096(6) 2_646
C60 O61 1.108(13) .
C62 O63 1.113(14) .
C64 O65 1.177(17) .
C66 O67 1.230(19) .
C71 C72 1.37(2) .
C71 C76 1.39(2) .
C71 C77 1.47(2) .
C72 H72 0.9500 .
C72 C73 1.37(2) .
C73 H73 0.9500 .
C73 C74 1.34(2) .
C74 C75 1.47(2) .
C74 C78 1.47(2) .
C75 H75 0.9500 .
C75 C76 1.36(2) .
C76 H76 0.9500 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C81 C82 1.39(2) .
C81 C86 1.44(3) .
C81 C87 1.53(3) .
C82 H82 0.9500 .
C82 C83 1.39(2) .
C83 H83 0.9500 .
C83 C84 1.32(2) .
C84 C85 1.36(2) .
C84 C88 1.53(3) .
C85 H85 0.9500 .
C85 C86 1.31(2) .
C86 H86 0.9500 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C91 C92 1.34(2) .
C91 C96 1.37(2) .
C91 C97 1.51(2) .
C92 H92 0.9500 .
C92 C93 1.44(3) .
C93 H93 0.9500 .
C93 C94 1.37(3) .
C94 C95 1.30(2) .
C94 C98 1.53(3) .
C95 H95 0.9500 .
C95 C96 1.37(2) .
C96 H96 0.9500 .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C101 C102 1.373(14) .
C101 C106 1.364(14) .
C101 C107 1.486(14) .
C102 H102 0.9500 .
C102 C106 1.372(15) 3_567
C106 C102 1.372(14) 3_567
C106 H106 0.9500 .
C107 H10A 0.9800 .
C107 H10B 0.9800 .
C107 H10C 0.9800 .
C111 C112 1.357(18) .
C111 C113 1.381(18) 3_766
C112 H112 0.9500 .
C112 C113 1.389(19) .
C113 C111 1.381(18) 3_766
C113 H113 0.9500 .
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_4
Rh01 N12C C13C C14C 178.7(6) . .
Rh01 N12C C13C C16C -0.2(14) . .
Rh01 N22C C23C C24C -162.7(7) . .
Rh01 N22C C23C C26C 12.8(15) . .
Mn1 N12B C13B C14B -165.7(5) 3_667 .
Mn1 N12B C13B C16B 14.8(12) 3_667 .
Mn1 N22B C23B C24B 164.9(5) 3_667 .
Mn1 N22B C23B C26B -12.3(12) 3_667 .
Mn1 C47B O48B Mn2 119.9(6) 3_567 3_567
C1A N11A N12A Mn3 15.8(9) . 3_666
C1A N11A N12A C13A -170.8(6) . .
C1A N11A C15A C14A 169.2(7) . .
C1A N11A C15A C17A -10.5(13) . .
C1A N21A N22A Mn3 -6.7(8) . 3_666
C1A N21A N22A C23A -175.5(6) . .
C1A N21A C25A C24A 175.5(7) . .
C1A N21A C25A C27A -2.2(13) . .
C1B N11B N12B Mn1 -8.6(8) . 3_667
C1B N11B N12B C13B -176.0(6) . .
C1B N11B C15B C14B 175.2(7) . .
C1B N11B C15B C17B -6.6(13) . .
C1B N21B N22B Mn1 7.1(9) . 3_667
C1B N21B N22B C23B 172.1(6) . .
C1B N21B C25B C24B -171.3(7) . .
C1B N21B C25B C27B 7.0(13) . .
C1C N11C N12C Rh01 -6.7(9) . .
C1C N11C N12C C13C 170.9(7) . .
C1C N11C C15C C14C -170.0(8) . .
C1C N11C C15C C17C 5.3(15) . .
C1C N21C N22C Rh01 -10.7(10) . .
C1C N21C N22C C23C -177.2(8) . .
C1C N21C C25C C24C 176.3(8) . .
C1C N21C C25C C27C -2.8(14) . .
C117 C111 C112 C113 179.5(14) . .
Cl2 Rh2 C66 O67 -114(6) . .
Mn3 N12A C13A C14A 171.5(6) 3_666 .
Mn3 N12A C13A C16A -7.7(12) 3_666 .
Mn3 N22A C23A C24A -168.5(5) 3_666 .
Mn3 N22A C23A C26A 13.5(11) 3_666 .
N11A C1A N21A N22A 67.6(8) . .
N11A C1A N21A C25A -107.8(9) . .
N11A N12A C13A C14A -0.4(9) . .
N11A N12A C13A C16A -179.6(7) . .
N11B C1B N21B N22B -69.7(8) . .
N11B C1B N21B C25B 101.5(9) . .
N11B N12B C13B C14B -0.2(8) . .
N11B N12B C13B C16B -179.7(7) . .
N11C C1C N21C N22C 68.6(10) . .
N11C C1C N21C C25C -106.8(10) . .
N11C N12C C13C C14C 1.5(9) . .
N11C N12C C13C C16C -177.3(8) . .
N12A N11A C15A C14A -2.3(9) . .
N12A N11A C15A C17A 178.0(8) . .
N12A C13A C14A C15A -0.9(10) . .
N12A C13A C14A C31A 178.8(8) . .
N12B N11B C15B C14B -1.4(9) . .
N12B N11B C15B C17B 176.8(7) . .
N12B C13B C14B C15B -0.6(9) . .
N12B C13B C14B C31B 175.6(7) . .
N12C N11C C15C C14C 1.1(9) . .
N12C N11C C15C C17C 176.5(8) . .
N12C C13C C14C C15C -0.9(10) . .
N12C C13C C14C C31C 179.2(8) . .
C13A C14A C15A N11A 1.9(9) . .
C13A C14A C15A C17A -178.5(9) . .
C13A C14A C31A C32A -54.2(13) . .
C13A C14A C31A C36A 127.3(10) . .
C13B C14B C15B N11B 1.2(8) . .
C13B C14B C15B C17B -177.0(8) . .
C13B C14B C31B C32B 42.1(12) . .
C13B C14B C31B C36B -131.8(9) . .
C13C C14C C15C N11C -0.2(9) . .
C13C C14C C15C C17C -175.2(9) . .
C13C C14C C31C C32C -103.9(11) . .
C13C C14C C31C C36C 70.6(12) . .
C14A C31A C32A C33A -174.0(8) . .
C14A C31A C36A C35A 171.5(9) . .
C14B C31B C32B C33B -173.3(8) . .
C14B C31B C36B C35B 174.8(8) . .
C14C C31C C32C C33C 173.9(8) . .
C14C C31C C36C C35C -175.4(9) . .
C15A N11A N12A Mn3 -171.7(5) . 3_666
C15A N11A N12A C13A 1.7(9) . .
C15A C14A C31A C32A 125.5(10) . .
C15A C14A C31A C36A -53.1(13) . .
C15B N11B N12B Mn1 168.5(5) . 3_667
C15B N11B N12B C13B 1.0(8) . .
C15B C14B C31B C32B -142.6(9) . .
C15B C14B C31B C36B 43.5(12) . .
C15C N11C N12C Rh01 -179.3(6) . .
C15C N11C N12C C13C -1.7(9) . .
C15C C14C C31C C32C 76.2(12) . .
C15C C14C C31C C36C -109.3(11) . .
C16A C13A C14A C15A 178.2(8) . .
C16A C13A C14A C31A -2.1(15) . .
C16B C13B C14B C15B 178.9(8) . .
C16B C13B C14B C31B -4.9(14) . .
C16C C13C C14C C15C 177.8(9) . .
C16C C13C C14C C31C -2.1(15) . .
N21A C1A N11A N12A -73.4(8) . .
N21A C1A N11A C15A 115.6(8) . .
N21A N22A C23A C24A -1.1(8) . .
N21A N22A C23A C26A -179.1(7) . .
N21B C1B N11B N12B 69.8(8) . .
N21B C1B N11B C15B -106.7(8) . .
N21B N22B C23B C24B 1.1(9) . .
N21B N22B C23B C26B -176.0(8) . .
N21C C1C N11C N12C -58.0(10) . .
N21C C1C N11C C15C 112.8(10) . .
N21C N22C C23C C24C 1.0(10) . .
N21C N22C C23C C26C 176.5(9) . .
N22A N21A C25A C24A -0.1(9) . .
N22A N21A C25A C27A -177.8(7) . .
N22A C23A C24A C25A 1.0(9) . .
N22A C23A C24A C41A -179.7(7) . .
N22B N21B C25B C24B 0.2(9) . .
N22B N21B C25B C27B 178.6(7) . .
N22B C23B C24B C25B -1.0(9) . .
N22B C23B C24B C41B 178.4(7) . .
N22C N21C C25C C24C 0.7(10) . .
N22C N21C C25C C27C -178.4(8) . .
N22C C23C C24C C25C -0.6(11) . .
N22C C23C C24C C41C -176.3(9) . .
C23A C24A C25A N21A -0.5(9) . .
C23A C24A C25A C27A 176.9(8) . .
C23A C24A C41A C42A 125.2(9) . .
C23A C24A C41A C46A -55.0(12) . .
C23B C24B C25B N21B 0.4(9) . .
C23B C24B C25B C27B -177.8(8) . .
C23B C24B C41B C42B -132.2(9) . .
C23B C24B C41B C46B 46.7(12) . .
C23C C24C C25C N21C 0.0(10) . .
C23C C24C C25C C27C 178.9(9) . .
C23C C24C C41C C42C 63.2(14) . .
C23C C24C C41C C46C -115.6(11) . .
C24A C41A C42A C43A -175.3(7) . .
C24A C41A C46A C45A 174.3(8) . .
C24B C41B C42B C43B 175.8(8) . .
C24B C41B C46B C45B -175.6(7) . .
C24C C41C C42C C43C -179.7(9) . .
C24C C41C C46C C45C 177.8(9) . .
C25A N21A N22A Mn3 169.5(5) . 3_666
C25A N21A N22A C23A 0.7(8) . .
C25A C24A C41A C42A -55.7(12) . .
C25A C24A C41A C46A 124.1(9) . .
C25B N21B N22B Mn1 -165.7(5) . 3_667
C25B N21B N22B C23B -0.8(8) . .
C25B C24B C41B C42B 47.0(13) . .
C25B C24B C41B C46B -134.1(9) . .
C25C N21C N22C Rh01 165.5(6) . .
C25C N21C N22C C23C -1.0(10) . .
C25C C24C C41C C42C -111.6(11) . .
C25C C24C C41C C46C 69.6(13) . .
C26A C23A C24A C25A 178.8(8) . .
C26A C23A C24A C41A -1.9(14) . .
C26B C23B C24B C25B 175.8(9) . .
C26B C23B C24B C41B -4.8(15) . .
C26C C23C C24C C25C -175.8(10) . .
C26C C23C C24C C41C 8.4(17) . .
C31A C14A C15A N11A -177.8(8) . .
C31A C14A C15A C17A 1.8(15) . .
C31A C32A C33A C34A 2.9(14) . .
C31B C14B C15B N11B -175.0(7) . .
C31B C14B C15B C17B 6.8(14) . .
C31B C32B C33B C34B -0.4(13) . .
C31C C14C C15C N11C 179.7(8) . .
C31C C14C C15C C17C 4.7(15) . .
C31C C32C C33C C34C 0.6(13) . .
C32A C31A C36A C35A -7.1(14) . .
C32A C33A C34A C35A -7.9(13) . .
C32A C33A C34A C37A 172.8(8) . .
C32B C31B C36B C35B 0.6(12) . .
C32B C33B C34B C35B -1.3(12) . .
C32B C33B C34B C37B 178.1(7) . .
C32C C31C C36C C35C -0.8(14) . .
C32C C33C C34C C35C 0.9(13) . .
C32C C33C C34C C37C -176.3(8) . .
C33A C34A C35A C36A 5.4(14) . .
C33A C34A C37A O38A -153.8(8) . .
C33A C34A C37A O39A 28.9(12) . .
C33B C34B C35B C36B 2.7(13) . .
C33B C34B C37B O38B -19.9(11) . .
C33B C34B C37B O39B 161.1(7) . .
C33C C34C C35C C36C -2.4(14) . .
C33C C34C C37C O38C 14.5(11) . .
C33C C34C C37C O39C -168.2(8) . .
C34A C35A C36A C31A 2.1(15) . .
C34A C37A O38A Mn1 174.1(6) . .
C34A C37A O39A Mn2 158.3(6) . .
C34B C35B C36B C31B -2.3(13) . .
C34B C37B O38B Mn2 150.8(7) . .
C34B C37B O39B Mn3 -163.9(5) . .
C34C C35C C36C C31C 2.3(15) . .
C34C C37C O38C Mn1 170.2(5) . .
C34C C37C O39C Mn2 174.1(7) . .
C35A C34A C37A O38A 27.0(13) . .
C35A C34A C37A O39A -150.4(9) . .
C35B C34B C37B O38B 159.5(8) . .
C35B C34B C37B O39B -19.6(11) . .
C35C C34C C37C O38C -162.7(8) . .
C35C C34C C37C O39C 14.6(12) . .
C36A C31A C32A C33A 4.5(14) . .
C36B C31B C32B C33B 0.8(12) . .
C36C C31C C32C C33C -0.6(13) . .
C37A C34A C35A C36A -175.3(8) . .
C37B C34B C35B C36B -176.7(8) . .
C37C C34C C35C C36C 174.9(9) . .
O38A C37A O39A Mn2 -18.8(15) . .
O38B C37B O39B Mn3 17.1(11) . .
O38C C37C O39C Mn2 -8.8(15) . .
O39A C37A O38A Mn1 -8.8(14) . .
O39B C37B O38B Mn2 -30.2(14) . .
O39C C37C O38C Mn1 -6.9(11) . .
C41A C24A C25A N21A -179.7(8) . .
C41A C24A C25A C27A -2.3(15) . .
C41A C42A C43A C44A 0.1(12) . .
C41B C24B C25B N21B -178.9(8) . .
C41B C24B C25B C27B 2.9(14) . .
C41B C42B C43B C44B 0.0(13) . .
C41C C24C C25C N21C 175.6(9) . .
C41C C24C C25C C27C -5.5(16) . .
C41C C42C C43C C44C 1.9(15) . .
C42A C41A C46A C45A -5.9(13) . .
C42A C43A C44A C45A -4.2(12) . .
C42A C43A C44A C47A 177.0(7) . .
C42B C41B C46B C45B 3.3(12) . .
C42B C43B C44B C45B 2.9(12) . .
C42B C43B C44B C47B -175.3(8) . .
C42C C41C C46C C45C -1.1(15) . .
C42C C43C C44C C45C -0.8(15) . .
C42C C43C C44C C47C 176.1(8) . .
C43A C44A C45A C46A 3.3(13) . .
C43A C44A C47A O48A 16.3(12) . .
C43A C44A C47A O49A -165.4(7) . .
C43B C44B C45B C46B -2.7(12) . .
C43B C44B C47B Mn1 -139(3) . 3_567
C43B C44B C47B O48B 172.0(7) . .
C43B C44B C47B O49B -10.6(12) . .
C43C C44C C45C C46C -1.1(15) . .
C43C C44C C47C O48C -170.4(8) . .
C43C C44C C47C O49C 8.9(12) . .
C44A C45A C46A C41A 1.8(14) . .
C44A C47A O49A Mn2 56.4(10) . 3_766
C44A C47A O49A Mn3 -168.3(6) . 3_766
C44B C45B C46B C41B -0.3(12) . .
C44B C47B O48B Mn1 169.3(6) . 3_567
C44B C47B O48B Mn2 -70.8(8) . 3_567
C44B C47B O49B Mn1 -169.9(7) . 3_567
C44C C45C C46C C41C 2.1(15) . .
C44C C47C O48C Mn2 174.5(7) . 2_646
C44C C47C O49C Mn3 177.2(5) . 2_646
C45A C44A C47A O48A -162.5(8) . .
C45A C44A C47A O49A 15.9(11) . .
C45B C44B C47B Mn1 43(3) . 3_567
C45B C44B C47B O48B -6.1(11) . .
C45B C44B C47B O49B 171.4(7) . .
C45C C44C C47C O48C 6.5(12) . .
C45C C44C C47C O49C -174.2(8) . .
C46A C41A C42A C43A 4.9(12) . .
C46B C41B C42B C43B -3.1(12) . .
C46C C41C C42C C43C -0.9(15) . .
C47A C44A C45A C46A -177.9(8) . .
C47B C44B C45B C46B 175.5(7) . .
C47C C44C C45C C46C -178.1(9) . .
O48A C47A O49A Mn2 -125.2(7) . 3_766
O48A C47A O49A Mn3 10.1(8) . 3_766
O48B C47B O49B Mn1 7.5(7) . 3_567
O48C C47C O49C Mn3 -3.7(12) . 2_646
O49B C47B O48B Mn1 -8.2(7) . 3_567
O49B C47B O48B Mn2 111.7(7) . 3_567
O49C C47C O48C Mn2 -4.7(16) . 2_646
C64 Rh2 C66 O67 69(6) . .
C71 C72 C73 C74 -8(3) . .
C72 C71 C76 C75 -7(2) . .
C72 C73 C74 C75 2(2) . .
C72 C73 C74 C78 178.2(18) . .
C73 C74 C75 C76 0(2) . .
C74 C75 C76 C71 2(2) . .
C76 C71 C72 C73 9(3) . .
C77 C71 C72 C73 -172.6(16) . .
C77 C71 C76 C75 175.5(14) . .
C78 C74 C75 C76 -175.7(15) . .
C81 C82 C83 C84 -2(2) . .
C82 C81 C86 C85 2(2) . .
C82 C83 C84 C85 2(2) . .
C82 C83 C84 C88 -179.5(12) . .
C83 C84 C85 C86 -1(2) . .
C84 C85 C86 C81 -2(2) . .
C86 C81 C82 C83 -0.5(17) . .
C87 C81 C82 C83 -178.2(13) . .
C87 C81 C86 C85 179.8(14) . .
C88 C84 C85 C86 -179.0(14) . .
C91 C92 C93 C94 12(4) . .
C92 C91 C96 C95 -3(2) . .
C92 C93 C94 C95 -10(4) . .
C92 C93 C94 C98 164(2) . .
C93 C94 C95 C96 1(4) . .
C94 C95 C96 C91 6(3) . .
C96 C91 C92 C93 -5(3) . .
C97 C91 C92 C93 174(2) . .
C97 C91 C96 C95 177.4(14) . .
C98 C94 C95 C96 -173(2) . .
C102 C101 C106 C102 -2.6(19) . 3_567
C106 C101 C102 C106 2.6(19) . 3_567
C107 C101 C102 C106 -178.6(12) . 3_567
C107 C101 C106 C102 178.6(12) . 3_567
C111 C112 C113 C111 -2(2) . 3_766
C113 C111 C112 C113 1(2) 3_766 .
