#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:43:29 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180274 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/60/7116029.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_7116029
loop_
_publ_author_name
'Amineh Aghabali'
'Marilyn M. Olmstead'
'Alan L. Balch'
_publ_section_title
;
 Zipping up fullerenes into polymers using rhodium(II) acetate dimer and
 N(CH2CH2)2NC60 as building blocks
;
_journal_name_full               Chem.Commun.
_journal_page_first              15152
_journal_paper_doi               10.1039/C4cc06995A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C72 H20 N2 O8 Rh2, C60, 2(C S2)'
_chemical_formula_sum            'C134 H20 N2 O8 Rh2 S4'
_chemical_formula_weight         2119.58
_chemical_name_common            {Rh2(O2CCH3)4N(CH2CH2)2NC60}n.nC60.2nCS2
_chemical_name_systematic        (2)
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2432(8)
_cell_length_b                   19.6828(8)
_cell_length_c                   19.9173(9)
_cell_measurement_reflns_used    9850
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      68.32
_cell_measurement_theta_min      4.44
_cell_volume                     7543.9(6)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker ApexDUO'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            64991
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.414
_diffrn_reflns_theta_min         3.193
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.266
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6223
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_description       block
_exptl_crystal_F_000             4224
_exptl_crystal_size_max          0.136
_exptl_crystal_size_mid          0.117
_exptl_crystal_size_min          0.039
_refine_diff_density_max         1.678
_refine_diff_density_min         -1.588
_refine_diff_density_rms         0.147
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         7122
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0603
_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)+(0.1013P)²+45.6733P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1748
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6611
_reflns_number_total             7122
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4cc06995a2.cif
_cod_data_source_block           (2)
_cod_database_code               7116029
#BEGIN Tags that were not found in dictionaries:
_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   0.534
_shelx_estimated_absorpt_t_max   0.821
_shelxl_version_number           2012-9
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0923(2) 0.7087(2) 0.9373(2) 0.0145(8) Uani 1 1 d . . . . .
C2 C 0.0953(2) 0.6775(2) 0.8663(2) 0.0176(9) Uani 1 1 d . . . . .
C3 C 0.0851(2) 0.7126(2) 0.8082(2) 0.0194(9) Uani 1 1 d . . . . .
C4 C 0.1182(3) 0.6905(3) 0.7465(2) 0.0254(10) Uani 1 1 d . . . . .
C5 C 0.1380(4) 0.7500 0.7089(3) 0.0285(15) Uani 1 2 d S T P . .
C6 C 0.1998(4) 0.7500 0.6722(3) 0.0316(16) Uani 1 2 d S T P . .
C7 C 0.2441(3) 0.6904(3) 0.6722(2) 0.0335(12) Uani 1 1 d . . . . .
C8 C 0.3156(3) 0.7128(3) 0.6724(3) 0.0339(12) Uani 1 1 d . . . . .
C9 C 0.3652(3) 0.6782(3) 0.7097(3) 0.0356(13) Uani 1 1 d . . . . .
C10 C 0.4166(3) 0.7146(3) 0.7484(3) 0.0361(12) Uani 1 1 d . . . . .
C11 C 0.4279(3) 0.6780(3) 0.8104(3) 0.0356(12) Uani 1 1 d . . . . .
C12 C 0.4390(2) 0.7132(3) 0.8697(3) 0.0355(12) Uani 1 1 d . . . . .
C13 C 0.4061(3) 0.6907(3) 0.9319(3) 0.0342(12) Uani 1 1 d . . . . .
C14 C 0.3857(4) 0.7500 0.9690(4) 0.0348(17) Uani 1 2 d S T P . .
C15 C 0.3225(4) 0.7500 1.0050(4) 0.0292(16) Uani 1 2 d S T P . .
C16 C 0.2785(3) 0.6907(3) 1.0046(2) 0.0264(11) Uani 1 1 d . . . . .
C17 C 0.2073(3) 0.7125(2) 1.0036(2) 0.0201(9) Uani 1 1 d . . . . .
C18 C 0.1582(2) 0.6774(2) 0.9676(2) 0.0173(8) Uani 1 1 d . . . . .
C19 C 0.1797(2) 0.6198(2) 0.9286(2) 0.0207(9) Uani 1 1 d . . . . .
C20 C 0.1413(2) 0.6201(2) 0.8668(2) 0.0215(9) Uani 1 1 d . . . . .
C21 C 0.1724(3) 0.5968(2) 0.8074(3) 0.0257(10) Uani 1 1 d . . . . .
C22 C 0.1602(3) 0.6329(3) 0.7464(2) 0.0280(11) Uani 1 1 d . . . . .
C23 C 0.2251(3) 0.6325(3) 0.7082(3) 0.0317(11) Uani 1 1 d . . . . .
C24 C 0.2760(3) 0.5961(3) 0.7463(3) 0.0320(12) Uani 1 1 d . . . . .
C25 C 0.3450(3) 0.6174(3) 0.7473(3) 0.0335(12) Uani 1 1 d . . . . .
C26 C 0.3840(3) 0.6177(3) 0.8095(3) 0.0351(12) Uani 1 1 d . . . . .
C27 C 0.3525(3) 0.5964(3) 0.8688(3) 0.0329(12) Uani 1 1 d . . . . .
C28 C 0.3639(3) 0.6329(3) 0.9309(3) 0.0336(12) Uani 1 1 d . . . . .
C29 C 0.2990(3) 0.6328(3) 0.9684(3) 0.0289(11) Uani 1 1 d . . . . .
C30 C 0.2483(3) 0.5967(2) 0.9298(3) 0.0265(10) Uani 1 1 d . . . . .
C31 C 0.2801(3) 0.5737(2) 0.8673(3) 0.0310(12) Uani 1 1 d . . . . .
C32 C 0.2433(3) 0.5738(2) 0.8086(3) 0.0307(12) Uani 1 1 d . . . . .
C33 C -0.0341(2) 0.7105(2) 0.9397(2) 0.0161(8) Uani 1 1 d . . . . .
H33A H -0.0762 0.6938 0.9630 0.019 Uiso 1 1 calc R U . . .
H33B H -0.0354 0.6938 0.8929 0.019 Uiso 1 1 calc R U . . .
C34 C 0.0302(2) 0.7107(2) 1.0433(2) 0.0158(8) Uani 1 1 d . . . . .
H34A H 0.0723 0.6940 1.0666 0.019 Uiso 1 1 calc R U . . .
H34B H -0.0109 0.6940 1.0683 0.019 Uiso 1 1 calc R U . . .
C35 C 0.0331(2) 0.4764(2) 0.8756(2) 0.0205(9) Uani 1 1 d . . . . .
C36 C 0.0487(3) 0.4654(3) 0.8021(2) 0.0281(10) Uani 1 1 d . . . . .
H36A H 0.0466 0.4168 0.7918 0.042 Uiso 1 1 calc R U . . .
H36B H 0.0953 0.4828 0.7918 0.042 Uiso 1 1 calc R U . . .
H36C H 0.0143 0.4897 0.7748 0.042 Uiso 1 1 calc R U . . .
C37 C 0.1265(2) 0.4870(2) 1.0461(2) 0.0201(9) Uani 1 1 d . . . . .
C38 C 0.1967(3) 0.4831(2) 1.0782(2) 0.0250(10) Uani 1 1 d . . . . .
H38A H 0.2081 0.4356 1.0878 0.037 Uiso 1 1 calc R U . . .
H38B H 0.1965 0.5092 1.1201 0.037 Uiso 1 1 calc R U . . .
H38C H 0.2316 0.5021 1.0476 0.037 Uiso 1 1 calc R U . . .
C39 C -0.0011(4) 0.7161(6) 0.3847(7) 0.086(3) Uani 1 1 d . . . . .
C40 C 0.0089(5) 0.6773(6) 0.3215(8) 0.094(4) Uani 1 1 d D . . . .
C41 C 0.0173(6) 0.7103(7) 0.2644(8) 0.112(5) Uani 1 1 d D . . . .
C42 C 0.0653(7) 0.6895(5) 0.2166(5) 0.087(3) Uani 1 1 d . . . . .
C43 C 0.0947(8) 0.7500 0.1880(6) 0.080(4) Uani 1 2 d S TU P . .
C44 C 0.1618(8) 0.7500 0.1695(6) 0.071(3) Uani 1 2 d S TU P . .
C45 C 0.2133(7) 0.6935(6) 0.1807(6) 0.103(3) Uani 1 1 d D U . . .
C46 C 0.2787(5) 0.7131(6) 0.2031(5) 0.092(3) Uani 1 1 d . U . . .
C47 C 0.3161(5) 0.6779(5) 0.2557(5) 0.076(3) Uani 1 1 d . . . . .
C48 C 0.3505(4) 0.7169(5) 0.3075(6) 0.087(3) Uani 1 1 d . . . . .
C49 C 0.3409(4) 0.6777(6) 0.3717(6) 0.094(3) Uani 1 1 d D . . . .
C50 C 0.3318(5) 0.7115(5) 0.4285(6) 0.084(3) Uani 1 1 d D U . . .
C51 C 0.2820(6) 0.6904(6) 0.4761(6) 0.090(3) Uani 1 1 d . U . . .
C52 C 0.2533(9) 0.7500 0.5050(6) 0.074(3) Uani 1 2 d S TU P . .
C53 C 0.1840(11) 0.7500 0.5217(5) 0.088(5) Uani 1 2 d S T P . .
C54 C 0.1372(8) 0.6915(7) 0.5091(5) 0.106(4) Uani 1 1 d D . . . .
C55 C 0.0699(5) 0.7141(5) 0.4880(4) 0.076(3) Uani 1 1 d . . . . .
C56 C 0.0334(5) 0.6784(4) 0.4351(5) 0.072(3) Uani 1 1 d . . . . .
C57 C 0.0645(6) 0.6201(5) 0.4039(6) 0.091(3) Uani 1 1 d . . . . .
C58 C 0.0528(4) 0.6162(4) 0.3334(5) 0.065(2) Uani 1 1 d . . . . .
C59 C 0.1019(4) 0.5973(3) 0.2863(4) 0.062(2) Uani 1 1 d . . . . .
C60 C 0.1075(5) 0.6361(4) 0.2254(4) 0.064(2) Uani 1 1 d . . . . .
C61 C 0.1866(7) 0.6377(5) 0.2084(5) 0.088(3) Uani 1 1 d D U . . .
C62 C 0.2196(5) 0.5953(4) 0.2644(5) 0.081(3) Uani 1 1 d . . . . .
C63 C 0.2842(6) 0.6173(5) 0.2878(6) 0.090(3) Uani 1 1 d . U . . .
C64 C 0.2960(5) 0.6163(4) 0.3567(5) 0.070(2) Uani 1 1 d . U . . .
C65 C 0.2460(5) 0.5956(4) 0.4042(5) 0.074(3) Uani 1 1 d . . . . .
C66 C 0.2419(6) 0.6355(5) 0.4648(5) 0.076(3) Uani 1 1 d . . . . .
C67 C 0.1620(8) 0.6355(5) 0.4814(4) 0.098(4) Uani 1 1 d D . . . .
C68 C 0.1295(6) 0.5969(4) 0.4265(5) 0.078(3) Uani 1 1 d . U . . .
C69 C 0.1793(5) 0.5743(4) 0.3806(5) 0.065(2) Uani 1 1 d . U . . .
C70 C 0.1673(5) 0.5747(3) 0.3098(5) 0.068(2) Uani 1 1 d . . . . .
Rh1 Rh 0.00902(2) 0.56006(2) 0.99149(2) 0.01672(15) Uani 1 1 d . . . . .
N1 N 0.02860(18) 0.68332(18) 0.97376(18) 0.0141(7) Uani 1 1 d . . . . .
O1 O 0.03380(17) 0.53728(16) 0.89514(15) 0.0220(7) Uani 1 1 d . . . . .
O2 O 0.02081(18) 0.42492(17) 0.91092(17) 0.0229(7) Uani 1 1 d . . . . .
O3 O 0.10699(17) 0.54587(16) 1.02747(16) 0.0208(6) Uani 1 1 d . . . . .
O4 O 0.09116(17) 0.43285(15) 1.04094(17) 0.0227(7) Uani 1 1 d . . . . .
S1A S 0.0411(3) 0.5629(2) 0.6147(3) 0.0661(11) Uiso 0.5 1 d . . P A 1
S2A S 0.1299(2) 0.4321(2) 0.6201(2) 0.0483(10) Uiso 0.5 1 d . . P A 1
C71A C 0.0875(11) 0.4967(8) 0.6154(14) 0.060(11) Uiso 0.5 1 d . . P A 1
S1B S 0.0270(3) 0.5489(3) 0.5832(3) 0.0794(13) Uiso 0.5 1 d G . P B 2
S2B S 0.1386(3) 0.4487(3) 0.6350(3) 0.0705(15) Uiso 0.5 1 d G . P B 2
C71B C 0.0825(2) 0.4984(2) 0.6081(2) 0.058(12) Uiso 0.5 1 d G . P B 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'
N N 0.0311 0.0180 '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'
S S 0.3331 0.5567 '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
N1 C1 C18 110.4(3) . .
N1 C1 C2 109.8(3) . .
C18 C1 C2 99.8(3) . .
N1 C1 C1 109.3(2) . 7_575
C18 C1 C1 113.7(2) . 7_575
C2 C1 C1 113.5(2) . 7_575
C3 C2 C20 119.6(4) . .
C3 C2 C1 124.8(4) . .
C20 C2 C1 109.3(4) . .
C2 C3 C4 120.3(4) . .
C2 C3 C3 120.5(3) . 7_575
C4 C3 C3 107.5(3) . 7_575
C22 C4 C5 120.5(5) . .
C22 C4 C3 120.0(4) . .
C5 C4 C3 108.2(4) . .
C6 C5 C4 119.8(4) . 7_575
C6 C5 C4 119.8(4) . .
C4 C5 C4 108.7(6) 7_575 .
C5 C6 C7 120.0(4) . .
C5 C6 C7 120.0(4) . 7_575
C7 C6 C7 108.1(7) . 7_575
C23 C7 C8 119.8(5) . .
C23 C7 C6 120.5(5) . .
C8 C7 C6 108.2(5) . .
C9 C8 C7 120.5(5) . .
C9 C8 C8 119.3(3) . 7_575
C7 C8 C8 107.7(3) . 7_575
C8 C9 C10 121.0(5) . .
C8 C9 C25 119.5(5) . .
C10 C9 C25 108.2(5) . .
C10 C10 C11 119.9(3) 7_575 .
C10 C10 C9 119.7(3) 7_575 .
C11 C10 C9 108.2(5) . .
C12 C11 C10 120.1(5) . .
C12 C11 C26 120.4(5) . .
C10 C11 C26 107.9(5) . .
C11 C12 C12 120.0(3) . 7_575
C11 C12 C13 120.4(5) . .
C12 C12 C13 107.7(3) 7_575 .
C28 C13 C14 120.6(5) . .
C28 C13 C12 119.1(5) . .
C14 C13 C12 107.9(5) . .
C15 C14 C13 119.8(4) . 7_575
C15 C14 C13 119.8(4) . .
C13 C14 C13 108.8(7) 7_575 .
C14 C15 C16 120.2(4) . 7_575
C14 C15 C16 120.2(4) . .
C16 C15 C16 108.1(6) 7_575 .
C29 C16 C17 120.2(5) . .
C29 C16 C15 119.7(5) . .
C17 C16 C15 108.6(5) . .
C18 C17 C16 120.9(4) . .
C18 C17 C17 120.2(3) . 7_575
C16 C17 C17 107.4(3) . 7_575
C17 C18 C19 118.8(4) . .
C17 C18 C1 124.9(4) . .
C19 C18 C1 110.1(4) . .
C30 C19 C18 121.4(4) . .
C30 C19 C20 120.2(4) . .
C18 C19 C20 108.1(4) . .
C21 C20 C2 121.0(4) . .
C21 C20 C19 120.0(4) . .
C2 C20 C19 109.1(4) . .
C20 C21 C22 118.9(4) . .
C20 C21 C32 119.7(5) . .
C22 C21 C32 109.1(4) . .
C4 C22 C21 120.1(4) . .
C4 C22 C23 120.0(5) . .
C21 C22 C23 107.4(5) . .
C7 C23 C24 120.1(5) . .
C7 C23 C22 119.2(5) . .
C24 C23 C22 108.1(5) . .
C25 C24 C23 120.6(5) . .
C25 C24 C32 119.3(5) . .
C23 C24 C32 107.8(5) . .
C24 C25 C26 120.5(5) . .
C24 C25 C9 119.4(5) . .
C26 C25 C9 107.3(5) . .
C27 C26 C25 119.9(5) . .
C27 C26 C11 119.2(5) . .
C25 C26 C11 108.3(5) . .
C26 C27 C28 120.7(5) . .
C26 C27 C31 119.3(5) . .
C28 C27 C31 108.2(4) . .
C13 C28 C27 120.3(5) . .
C13 C28 C29 119.5(5) . .
C27 C28 C29 108.0(5) . .
C16 C29 C30 119.1(4) . .
C16 C29 C28 120.2(5) . .
C30 C29 C28 108.0(5) . .
C19 C30 C29 119.5(4) . .
C19 C30 C31 118.9(5) . .
C29 C30 C31 109.0(4) . .
C32 C31 C30 120.7(5) . .
C32 C31 C27 120.7(5) . .
C30 C31 C27 106.7(5) . .
C31 C32 C21 120.4(5) . .
C31 C32 C24 120.3(5) . .
C21 C32 C24 107.6(5) . .
N1 C33 C33 111.1(2) . 7_575
N1 C33 H33A 109.4 . .
C33 C33 H33A 109.4 7_575 .
N1 C33 H33B 109.4 . .
C33 C33 H33B 109.4 7_575 .
H33A C33 H33B 108.0 . .
N1 C34 C34 111.3(2) . 7_575
N1 C34 H34A 109.4 . .
C34 C34 H34A 109.4 7_575 .
N1 C34 H34B 109.4 . .
C34 C34 H34B 109.4 7_575 .
H34A C34 H34B 108.0 . .
O2 C35 O1 126.6(4) . .
O2 C35 C36 117.7(4) . .
O1 C35 C36 115.7(4) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O4 C37 O3 125.7(4) . .
O4 C37 C38 118.5(4) . .
O3 C37 C38 115.8(4) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C39 C39 C56 121.7(6) 7_575 .
C39 C39 C40 121.0(8) 7_575 .
C56 C39 C40 105.7(10) . .
C41 C40 C39 119.6(13) . .
C41 C40 C58 117.7(12) . .
C39 C40 C58 110.7(11) . .
C40 C41 C42 121.9(12) . .
C40 C41 C41 119.4(8) . 7_575
C42 C41 C41 107.1(7) . 7_575
C60 C42 C41 123.0(11) . .
C60 C42 C43 117.6(12) . .
C41 C42 C43 106.9(11) . .
C44 C43 C42 119.2(8) . 7_575
C44 C43 C42 119.2(8) . .
C42 C43 C42 111.9(15) 7_575 .
C43 C44 C45 126.3(7) . 7_575
C43 C44 C45 126.3(7) . .
C45 C44 C45 95.2(13) 7_575 .
C61 C45 C46 116.4(13) . .
C61 C45 C44 114.6(11) . .
C46 C45 C44 116.0(11) . .
C45 C46 C47 123.4(11) . .
C45 C46 C46 106.1(8) . 7_575
C47 C46 C46 118.6(6) . 7_575
C48 C47 C46 119.3(9) . .
C48 C47 C63 108.0(9) . .
C46 C47 C63 119.3(10) . .
C48 C48 C47 122.0(6) 7_575 .
C48 C48 C49 120.8(6) 7_575 .
C47 C48 C49 106.2(9) . .
C50 C49 C48 119.0(11) . .
C50 C49 C64 119.5(10) . .
C48 C49 C64 108.1(9) . .
C49 C50 C51 121.2(11) . .
C49 C50 C50 120.2(7) . 7_575
C51 C50 C50 107.1(7) . 7_575
C66 C51 C50 120.8(11) . .
C66 C51 C52 120.6(11) . .
C50 C51 C52 107.2(11) . .
C53 C52 C51 118.5(8) . .
C53 C52 C51 118.5(8) . 7_575
C51 C52 C51 111.5(15) . 7_575
C52 C53 C54 123.2(9) . 7_575
C52 C53 C54 123.2(9) . .
C54 C53 C54 101.8(16) 7_575 .
C67 C54 C55 117.5(14) . .
C67 C54 C53 119.9(14) . .
C55 C54 C53 111.0(11) . .
C55 C55 C54 108.1(7) 7_575 .
C55 C55 C56 119.0(6) 7_575 .
C54 C55 C56 120.1(10) . .
C39 C56 C57 108.0(9) . .
C39 C56 C55 119.3(8) . .
C57 C56 C55 120.1(10) . .
C68 C57 C58 115.9(10) . .
C68 C57 C56 119.5(11) . .
C58 C57 C56 113.9(10) . .
C59 C58 C57 125.3(9) . .
C59 C58 C40 119.8(9) . .
C57 C58 C40 101.6(9) . .
C58 C59 C70 117.9(8) . .
C58 C59 C60 118.8(8) . .
C70 C59 C60 112.2(8) . .
C42 C60 C59 118.7(9) . .
C42 C60 C61 123.2(9) . .
C59 C60 C61 105.6(8) . .
C45 C61 C62 126.2(12) . .
C45 C61 C60 118.9(11) . .
C62 C61 C60 103.6(8) . .
C63 C62 C70 120.7(10) . .
C63 C62 C61 116.3(10) . .
C70 C62 C61 109.1(8) . .
C64 C63 C62 118.1(11) . .
C64 C63 C47 111.6(10) . .
C62 C63 C47 118.3(10) . .
C63 C64 C65 123.7(10) . .
C63 C64 C49 106.1(9) . .
C65 C64 C49 119.2(9) . .
C64 C65 C69 118.4(8) . .
C64 C65 C66 116.2(9) . .
C69 C65 C66 112.7(9) . .
C51 C66 C65 123.1(11) . .
C51 C66 C67 121.6(10) . .
C65 C66 C67 103.3(9) . .
C54 C67 C68 126.0(14) . .
C54 C67 C66 116.2(12) . .
C68 C67 C66 105.0(9) . .
C69 C68 C57 120.3(9) . .
C69 C68 C67 111.2(10) . .
C57 C68 C67 116.6(11) . .
C68 C69 C70 122.3(8) . .
C68 C69 C65 107.8(9) . .
C70 C69 C65 117.9(9) . .
C62 C70 C59 109.4(8) . .
C62 C70 C69 121.2(9) . .
C59 C70 C69 118.2(9) . .
O1 Rh1 O3 94.87(13) . .
O1 Rh1 O4 86.42(14) . 5_567
O3 Rh1 O4 175.43(12) . 5_567
O1 Rh1 O2 174.89(13) . 5_567
O3 Rh1 O2 86.87(14) . 5_567
O4 Rh1 O2 91.48(14) 5_567 5_567
O1 Rh1 Rh1 87.14(9) . 5_567
O3 Rh1 Rh1 87.10(9) . 5_567
O4 Rh1 Rh1 88.60(9) 5_567 5_567
O2 Rh1 Rh1 88.15(9) 5_567 5_567
O1 Rh1 N1 92.63(12) . .
O3 Rh1 N1 92.50(12) . .
O4 Rh1 N1 91.81(12) 5_567 .
O2 Rh1 N1 92.10(12) 5_567 .
Rh1 Rh1 N1 179.52(9) 5_567 .
C33 N1 C34 108.1(3) . .
C33 N1 C1 108.7(3) . .
C34 N1 C1 108.1(3) . .
C33 N1 Rh1 107.1(2) . .
C34 N1 Rh1 103.0(2) . .
C1 N1 Rh1 121.1(2) . .
C35 O1 Rh1 120.0(3) . .
C35 O2 Rh1 117.9(3) . 5_567
C37 O3 Rh1 120.0(3) . .
C37 O4 Rh1 118.4(3) . 5_567
S2A C71A S1A 176.5(16) . .
S1B C71B S2B 178.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.511(5) .
C1 C18 1.533(6) .
C1 C2 1.542(6) .
C1 C1 1.624(8) 7_575
C2 C3 1.362(6) .
C2 C20 1.435(6) .
C3 C4 1.452(6) .
C3 C3 1.471(9) 7_575
C4 C22 1.392(7) .
C4 C5 1.441(6) .
C5 C6 1.396(10) .
C5 C4 1.441(6) 7_575
C6 C7 1.449(7) .
C6 C7 1.449(7) 7_575
C7 C23 1.395(8) .
C7 C8 1.445(8) .
C8 C9 1.388(9) .
C8 C8 1.466(12) 7_575
C9 C10 1.445(9) .
C9 C25 1.466(8) .
C10 C10 1.395(11) 7_575
C10 C11 1.445(8) .
C11 C12 1.387(9) .
C11 C26 1.458(8) .
C12 C12 1.450(12) 7_575
C12 C13 1.460(8) .
C13 C28 1.398(8) .
C13 C14 1.436(7) .
C14 C15 1.412(11) .
C14 C13 1.436(7) 7_575
C15 C16 1.441(7) 7_575
C15 C16 1.441(7) .
C16 C29 1.406(7) .
C16 C17 1.435(7) .
C17 C18 1.374(7) .
C17 C17 1.476(9) 7_575
C18 C19 1.435(6) .
C19 C30 1.396(7) .
C19 C20 1.436(7) .
C20 C21 1.404(6) .
C21 C22 1.427(7) .
C21 C32 1.438(7) .
C22 C23 1.462(7) .
C23 C24 1.433(8) .
C24 C25 1.393(8) .
C24 C32 1.457(7) .
C25 C26 1.447(9) .
C26 C27 1.393(8) .
C27 C28 1.447(8) .
C27 C31 1.463(8) .
C28 C29 1.455(7) .
C29 C30 1.432(8) .
C30 C31 1.459(7) .
C31 C32 1.368(8) .
C33 N1 1.484(5) .
C33 C33 1.555(8) 7_575
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 N1 1.487(5) .
C34 C34 1.546(8) 7_575
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 O2 1.256(6) .
C35 O1 1.260(6) .
C35 C36 1.511(6) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 O4 1.268(6) .
C37 O3 1.274(6) .
C37 C38 1.497(6) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C39 1.33(2) 7_575
C39 C56 1.415(15) .
C39 C40 1.484(16) .
C40 C41 1.319(14) .
C40 C58 1.491(15) .
C41 C42 1.387(18) .
C41 C41 1.56(3) 7_575
C42 C60 1.341(13) .
C42 C43 1.436(14) .
C43 C44 1.34(2) .
C43 C42 1.436(14) 7_575
C44 C45 1.505(16) 7_575
C44 C45 1.505(16) .
C45 C61 1.332(13) .
C45 C46 1.391(16) .
C46 C47 1.447(15) .
C46 C46 1.45(2) 7_575
C47 C48 1.444(15) .
C47 C63 1.486(14) .
C48 C48 1.30(2) 7_575
C48 C49 1.505(15) .
C49 C50 1.324(12) .
C49 C64 1.515(14) .
C50 C51 1.410(16) .
C50 C50 1.52(2) 7_575
C51 C66 1.348(14) .
C51 C52 1.418(15) .
C52 C53 1.37(2) .
C52 C51 1.418(15) 7_575
C53 C54 1.483(18) 7_575
C53 C54 1.483(18) .
C54 C67 1.321(13) .
C54 C55 1.432(17) .
C55 C55 1.41(2) 7_575
C55 C56 1.448(14) .
C56 C57 1.433(14) .
C57 C68 1.406(15) .
C57 C58 1.425(14) .
C58 C59 1.382(12) .
C59 C70 1.416(12) .
C59 C60 1.437(12) .
C60 C61 1.558(14) .
C61 C62 1.532(14) .
C62 C63 1.395(14) .
C62 C70 1.412(14) .
C63 C64 1.391(14) .
C64 C65 1.409(13) .
C65 C69 1.431(13) .
C65 C66 1.442(13) .
C66 C67 1.574(17) .
C67 C68 1.471(15) .
C68 C69 1.398(14) .
C69 C70 1.428(13) .
Rh1 O1 2.028(3) .
Rh1 O3 2.036(3) .
Rh1 O4 2.038(3) 5_567
Rh1 O2 2.048(3) 5_567
Rh1 Rh1 2.4137(6) 5_567
Rh1 N1 2.480(3) .
O2 Rh1 2.048(3) 5_567
O4 Rh1 2.038(3) 5_567
S1A C71A 1.58(2) .
S2A C71A 1.52(2) .
S1B C71B 1.5411 .
S2B C71B 1.5514 .
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
N1 C1 C2 C3 110.2(5) . .
C18 C1 C2 C3 -133.8(4) . .
C1 C1 C2 C3 -12.4(5) 7_575 .
N1 C1 C2 C20 -98.1(4) . .
C18 C1 C2 C20 17.9(4) . .
C1 C1 C2 C20 139.2(3) 7_575 .
C20 C2 C3 C4 2.7(7) . .
C1 C2 C3 C4 151.6(4) . .
C20 C2 C3 C3 -135.7(3) . 7_575
C1 C2 C3 C3 13.3(5) . 7_575
C2 C3 C4 C22 0.4(7) . .
C3 C3 C4 C22 143.5(4) 7_575 .
C2 C3 C4 C5 -143.4(5) . .
C3 C3 C4 C5 -0.2(5) 7_575 .
C22 C4 C5 C6 -0.1(8) . .
C3 C4 C5 C6 143.4(6) . .
C22 C4 C5 C4 -143.1(4) . 7_575
C3 C4 C5 C4 0.4(7) . 7_575
C4 C5 C6 C7 138.7(5) 7_575 .
C4 C5 C6 C7 -0.3(9) . .
C4 C5 C6 C7 0.3(9) 7_575 7_575
C4 C5 C6 C7 -138.7(5) . 7_575
C5 C6 C7 C23 0.6(9) . .
C7 C6 C7 C23 143.4(4) 7_575 .
C5 C6 C7 C8 -142.6(6) . .
C7 C6 C7 C8 0.1(7) 7_575 .
C23 C7 C8 C9 -1.8(7) . .
C6 C7 C8 C9 141.7(5) . .
C23 C7 C8 C8 -143.6(4) . 7_575
C6 C7 C8 C8 -0.1(4) . 7_575
C7 C8 C9 C10 -137.3(5) . .
C8 C8 C9 C10 0.1(6) 7_575 .
C7 C8 C9 C25 1.9(8) . .
C8 C8 C9 C25 139.4(4) 7_575 .
C8 C9 C10 C10 -0.1(6) . 7_575
C25 C9 C10 C10 -143.4(3) . 7_575
C8 C9 C10 C11 142.2(5) . .
C25 C9 C10 C11 -1.0(6) . .
C10 C10 C11 C12 -0.2(6) 7_575 .
C9 C10 C11 C12 -142.5(5) . .
C10 C10 C11 C26 143.3(3) 7_575 .
C9 C10 C11 C26 1.0(6) . .
C10 C11 C12 C12 0.2(6) . 7_575
C26 C11 C12 C12 -138.8(4) . 7_575
C10 C11 C12 C13 138.2(5) . .
C26 C11 C12 C13 -0.7(8) . .
C11 C12 C13 C28 0.5(7) . .
C12 C12 C13 C28 143.1(4) 7_575 .
C11 C12 C13 C14 -141.9(5) . .
C12 C12 C13 C14 0.6(5) 7_575 .
C28 C13 C14 C15 0.3(9) . .
C12 C13 C14 C15 142.1(6) . .
C28 C13 C14 C13 -142.8(4) . 7_575
C12 C13 C14 C13 -1.0(8) . 7_575
C13 C14 C15 C16 0.1(10) 7_575 7_575
C13 C14 C15 C16 -139.0(6) . 7_575
C13 C14 C15 C16 139.0(6) 7_575 .
C13 C14 C15 C16 -0.1(10) . .
C14 C15 C16 C29 0.4(9) . .
C16 C15 C16 C29 143.7(4) 7_575 .
C14 C15 C16 C17 -143.1(6) . .
C16 C15 C16 C17 0.2(7) 7_575 .
C29 C16 C17 C18 0.0(7) . .
C15 C16 C17 C18 143.2(5) . .
C29 C16 C17 C17 -143.3(4) . 7_575
C15 C16 C17 C17 -0.1(4) . 7_575
C16 C17 C18 C19 -2.4(6) . .
C17 C17 C18 C19 136.3(3) 7_575 .
C16 C17 C18 C1 -151.8(4) . .
C17 C17 C18 C1 -13.1(5) 7_575 .
N1 C1 C18 C17 -111.0(5) . .
C2 C1 C18 C17 133.6(4) . .
C1 C1 C18 C17 12.4(5) 7_575 .
N1 C1 C18 C19 97.4(4) . .
C2 C1 C18 C19 -18.1(4) . .
C1 C1 C18 C19 -139.3(3) 7_575 .
C17 C18 C19 C30 3.7(6) . .
C1 C18 C19 C30 157.4(4) . .
C17 C18 C19 C20 -141.3(4) . .
C1 C18 C19 C20 12.3(5) . .
C3 C2 C20 C21 -4.3(7) . .
C1 C2 C20 C21 -157.7(4) . .
C3 C2 C20 C19 141.4(4) . .
C1 C2 C20 C19 -11.9(5) . .
C30 C19 C20 C21 0.4(7) . .
C18 C19 C20 C21 146.0(4) . .
C30 C19 C20 C2 -145.7(4) . .
C18 C19 C20 C2 -0.2(5) . .
C2 C20 C21 C22 2.7(7) . .
C19 C20 C21 C22 -139.3(5) . .
C2 C20 C21 C32 140.9(5) . .
C19 C20 C21 C32 -1.2(7) . .
C5 C4 C22 C21 137.4(5) . .
C3 C4 C22 C21 -1.9(7) . .
C5 C4 C22 C23 0.2(7) . .
C3 C4 C22 C23 -139.1(5) . .
C20 C21 C22 C4 0.3(7) . .
C32 C21 C22 C4 -141.8(5) . .
C20 C21 C22 C23 142.3(5) . .
C32 C21 C22 C23 0.1(5) . .
C8 C7 C23 C24 1.2(7) . .
C6 C7 C23 C24 -137.9(6) . .
C8 C7 C23 C22 138.5(5) . .
C6 C7 C23 C22 -0.5(8) . .
C4 C22 C23 C7 0.1(7) . .
C21 C22 C23 C7 -141.9(5) . .
C4 C22 C23 C24 142.1(5) . .
C21 C22 C23 C24 0.1(6) . .
C7 C23 C24 C25 -0.7(7) . .
C22 C23 C24 C25 -142.2(5) . .
C7 C23 C24 C32 141.3(5) . .
C22 C23 C24 C32 -0.2(6) . .
C23 C24 C25 C26 137.6(5) . .
C32 C24 C25 C26 -0.1(7) . .
C23 C24 C25 C9 0.8(7) . .
C32 C24 C25 C9 -136.9(5) . .
C8 C9 C25 C24 -1.4(7) . .
C10 C9 C25 C24 142.5(5) . .
C8 C9 C25 C26 -143.3(5) . .
C10 C9 C25 C26 0.6(5) . .
C24 C25 C26 C27 0.1(8) . .
C9 C25 C26 C27 141.5(5) . .
C24 C25 C26 C11 -141.4(5) . .
C9 C25 C26 C11 0.0(5) . .
C12 C11 C26 C27 0.9(8) . .
C10 C11 C26 C27 -142.5(5) . .
C12 C11 C26 C25 142.7(5) . .
C10 C11 C26 C25 -0.6(5) . .
C25 C26 C27 C28 -138.3(5) . .
C11 C26 C27 C28 -0.8(7) . .
C25 C26 C27 C31 0.2(7) . .
C11 C26 C27 C31 137.6(5) . .
C14 C13 C28 C27 137.2(6) . .
C12 C13 C28 C27 -0.5(7) . .
C14 C13 C28 C29 -0.8(8) . .
C12 C13 C28 C29 -138.4(5) . .
C26 C27 C28 C13 0.7(7) . .
C31 C27 C28 C13 -141.8(5) . .
C26 C27 C28 C29 142.9(5) . .
C31 C27 C28 C29 0.4(6) . .
C17 C16 C29 C30 1.2(7) . .
C15 C16 C29 C30 -138.0(5) . .
C17 C16 C29 C28 138.4(5) . .
C15 C16 C29 C28 -0.8(7) . .
C13 C28 C29 C16 1.0(7) . .
C27 C28 C29 C16 -141.5(5) . .
C13 C28 C29 C30 142.4(5) . .
C27 C28 C29 C30 -0.2(6) . .
C18 C19 C30 C29 -2.6(7) . .
C20 C19 C30 C29 138.4(5) . .
C18 C19 C30 C31 -140.4(5) . .
C20 C19 C30 C31 0.5(7) . .
C16 C29 C30 C19 0.1(7) . .
C28 C29 C30 C19 -141.7(5) . .
C16 C29 C30 C31 141.7(5) . .
C28 C29 C30 C31 -0.1(5) . .
C19 C30 C31 C32 -0.8(7) . .
C29 C30 C31 C32 -142.6(5) . .
C19 C30 C31 C27 142.2(5) . .
C29 C30 C31 C27 0.4(5) . .
C26 C27 C31 C32 -0.5(7) . .
C28 C27 C31 C32 142.5(5) . .
C26 C27 C31 C30 -143.5(5) . .
C28 C27 C31 C30 -0.5(6) . .
C30 C31 C32 C21 0.0(7) . .
C27 C31 C32 C21 -137.8(5) . .
C30 C31 C32 C24 138.4(5) . .
C27 C31 C32 C24 0.6(7) . .
C20 C21 C32 C31 0.9(7) . .
C22 C21 C32 C31 142.8(5) . .
C20 C21 C32 C24 -142.1(5) . .
C22 C21 C32 C24 -0.2(5) . .
C25 C24 C32 C31 -0.2(7) . .
C23 C24 C32 C31 -142.8(5) . .
C25 C24 C32 C21 142.9(5) . .
C23 C24 C32 C21 0.3(6) . .
C39 C39 C40 C41 -0.5(12) 7_575 .
C56 C39 C40 C41 -144.1(10) . .
C39 C39 C40 C58 141.3(6) 7_575 .
C56 C39 C40 C58 -2.4(10) . .
C39 C40 C41 C42 139.1(10) . .
C58 C40 C41 C42 -0.1(14) . .
C39 C40 C41 C41 0.5(12) . 7_575
C58 C40 C41 C41 -138.7(7) . 7_575
C40 C41 C42 C60 -1.8(15) . .
C41 C41 C42 C60 141.2(7) 7_575 .
C40 C41 C42 C43 -142.5(11) . .
C41 C41 C42 C43 0.4(8) 7_575 .
C60 C42 C43 C44 2.0(14) . .
C41 C42 C43 C44 145.3(11) . .
C60 C42 C43 C42 -143.9(9) . 7_575
C41 C42 C43 C42 -0.7(14) . 7_575
C42 C43 C44 C45 5.4(17) 7_575 7_575
C42 C43 C44 C45 -138.1(10) . 7_575
C42 C43 C44 C45 138.1(10) 7_575 .
C42 C43 C44 C45 -5.4(17) . .
C43 C44 C45 C61 4.0(17) . .
C45 C44 C45 C61 147.5(7) 7_575 .
C43 C44 C45 C46 -136.2(12) . .
C45 C44 C45 C46 7.3(15) 7_575 .
C61 C45 C46 C47 -2.7(15) . .
C44 C45 C46 C47 136.8(11) . .
C61 C45 C46 C46 -144.6(8) . 7_575
C44 C45 C46 C46 -5.1(11) . 7_575
C45 C46 C47 C48 -135.7(10) . .
C46 C46 C47 C48 1.7(9) 7_575 .
C45 C46 C47 C63 0.5(14) . .
C46 C46 C47 C63 137.9(6) 7_575 .
C46 C47 C48 C48 -1.8(9) . 7_575
C63 C47 C48 C48 -142.4(5) . 7_575
C46 C47 C48 C49 142.4(8) . .
C63 C47 C48 C49 1.8(9) . .
C48 C48 C49 C50 0.7(10) 7_575 .
C47 C48 C49 C50 -144.0(9) . .
C48 C48 C49 C64 141.4(5) 7_575 .
C47 C48 C49 C64 -3.3(9) . .
C48 C49 C50 C51 137.8(10) . .
C64 C49 C50 C51 1.6(13) . .
C48 C49 C50 C50 -0.7(10) . 7_575
C64 C49 C50 C50 -136.9(7) . 7_575
C49 C50 C51 C66 -0.6(14) . .
C50 C50 C51 C66 142.6(7) 7_575 .
C49 C50 C51 C52 -144.0(10) . .
C50 C50 C51 C52 -0.8(8) 7_575 .
C66 C51 C52 C53 0.7(15) . .
C50 C51 C52 C53 144.2(10) . .
C66 C51 C52 C51 -142.1(9) . 7_575
C50 C51 C52 C51 1.4(14) . 7_575
C51 C52 C53 C54 -138.2(9) . 7_575
C51 C52 C53 C54 2.0(15) 7_575 7_575
C51 C52 C53 C54 -2.0(15) . .
C51 C52 C53 C54 138.2(9) 7_575 .
C52 C53 C54 C67 1.1(15) . .
C54 C53 C54 C67 144.8(9) 7_575 .
C52 C53 C54 C55 -141.3(10) . .
C54 C53 C54 C55 2.5(13) 7_575 .
C67 C54 C55 C55 -145.0(8) . 7_575
C53 C54 C55 C55 -1.6(9) . 7_575
C67 C54 C55 C56 -3.8(13) . .
C53 C54 C55 C56 139.5(10) . .
C39 C39 C56 C57 -141.9(5) 7_575 .
C40 C39 C56 C57 1.4(9) . .
C39 C39 C56 C55 -0.2(9) 7_575 .
C40 C39 C56 C55 143.1(8) . .
C55 C55 C56 C39 0.2(9) 7_575 .
C54 C55 C56 C39 -136.8(9) . .
C55 C55 C56 C57 137.3(6) 7_575 .
C54 C55 C56 C57 0.3(12) . .
C39 C56 C57 C68 143.3(9) . .
C55 C56 C57 C68 1.8(12) . .
C39 C56 C57 C58 0.1(10) . .
C55 C56 C57 C58 -141.3(8) . .
C68 C57 C58 C59 -5.9(12) . .
C56 C57 C58 C59 138.6(9) . .
C68 C57 C58 C40 -146.0(8) . .
C56 C57 C58 C40 -1.5(9) . .
C41 C40 C58 C59 2.1(12) . .
C39 C40 C58 C59 -140.5(8) . .
C41 C40 C58 C57 144.9(9) . .
C39 C40 C58 C57 2.3(9) . .
C57 C58 C59 C70 5.5(12) . .
C40 C58 C59 C70 139.1(8) . .
C57 C58 C59 C60 -135.7(9) . .
C40 C58 C59 C60 -2.2(10) . .
C41 C42 C60 C59 1.6(12) . .
C43 C42 C60 C59 138.6(9) . .
C41 C42 C60 C61 -134.8(10) . .
C43 C42 C60 C61 2.2(12) . .
C58 C59 C60 C42 0.4(10) . .
C70 C59 C60 C42 -142.9(7) . .
C58 C59 C60 C61 143.6(7) . .
C70 C59 C60 C61 0.3(8) . .
C46 C45 C61 C62 2.9(16) . .
C44 C45 C61 C62 -137.2(10) . .
C46 C45 C61 C60 140.4(10) . .
C44 C45 C61 C60 0.4(14) . .
C42 C60 C61 C45 -3.5(13) . .
C59 C60 C61 C45 -144.6(9) . .
C42 C60 C61 C62 142.5(8) . .
C59 C60 C61 C62 1.4(7) . .
C45 C61 C62 C63 -0.6(14) . .
C60 C61 C62 C63 -143.2(8) . .
C45 C61 C62 C70 139.9(10) . .
C60 C61 C62 C70 -2.7(8) . .
C70 C62 C63 C64 2.0(12) . .
C61 C62 C63 C64 137.7(9) . .
C70 C62 C63 C47 -137.5(9) . .
C61 C62 C63 C47 -1.8(12) . .
C48 C47 C63 C64 0.5(10) . .
C46 C47 C63 C64 -140.1(9) . .
C48 C47 C63 C62 142.5(8) . .
C46 C47 C63 C62 1.9(12) . .
C62 C63 C64 C65 -1.3(13) . .
C47 C63 C64 C65 140.8(9) . .
C62 C63 C64 C49 -144.7(8) . .
C47 C63 C64 C49 -2.6(9) . .
C50 C49 C64 C63 144.1(9) . .
C48 C49 C64 C63 3.7(9) . .
C50 C49 C64 C65 -1.2(12) . .
C48 C49 C64 C65 -141.7(8) . .
C63 C64 C65 C69 0.0(12) . .
C49 C64 C65 C69 138.9(8) . .
C63 C64 C65 C66 -139.1(9) . .
C49 C64 C65 C66 -0.2(10) . .
C50 C51 C66 C65 -0.9(13) . .
C52 C51 C66 C65 137.7(10) . .
C50 C51 C66 C67 -137.2(9) . .
C52 C51 C66 C67 1.4(14) . .
C64 C65 C66 C51 1.2(11) . .
C69 C65 C66 C51 -140.2(9) . .
C64 C65 C66 C67 144.0(7) . .
C69 C65 C66 C67 2.6(8) . .
C55 C54 C67 C68 5.5(15) . .
C53 C54 C67 C68 -134.5(12) . .
C55 C54 C67 C66 141.0(9) . .
C53 C54 C67 C66 1.0(12) . .
C51 C66 C67 C54 -2.2(12) . .
C65 C66 C67 C54 -145.7(8) . .
C51 C66 C67 C68 141.8(8) . .
C65 C66 C67 C68 -1.7(8) . .
C58 C57 C68 C69 2.4(12) . .
C56 C57 C68 C69 -140.0(9) . .
C58 C57 C68 C67 141.9(8) . .
C56 C57 C68 C67 -0.5(12) . .
C54 C67 C68 C69 139.6(11) . .
C66 C67 C68 C69 0.2(9) . .
C54 C67 C68 C57 -3.4(14) . .
C66 C67 C68 C57 -142.8(8) . .
C57 C68 C69 C70 1.1(13) . .
C67 C68 C69 C70 -140.3(8) . .
C57 C68 C69 C65 142.8(8) . .
C67 C68 C69 C65 1.3(9) . .
C64 C65 C69 C68 -143.0(8) . .
C66 C65 C69 C68 -2.6(9) . .
C64 C65 C69 C70 0.6(11) . .
C66 C65 C69 C70 141.0(7) . .
C63 C62 C70 C59 141.5(8) . .
C61 C62 C70 C59 3.0(9) . .
C63 C62 C70 C69 -1.5(12) . .
C61 C62 C70 C69 -140.0(7) . .
C58 C59 C70 C62 -145.7(7) . .
C60 C59 C70 C62 -2.1(8) . .
C58 C59 C70 C69 -1.5(10) . .
C60 C59 C70 C69 142.2(7) . .
C68 C69 C70 C62 138.2(9) . .
C65 C69 C70 C62 0.2(11) . .
C68 C69 C70 C59 -1.7(12) . .
C65 C69 C70 C59 -139.7(8) . .
C33 C33 N1 C34 57.6(3) 7_575 .
C33 C33 N1 C1 -59.6(3) 7_575 .
C33 C33 N1 Rh1 168.01(8) 7_575 .
C34 C34 N1 C33 -57.7(3) 7_575 .
C34 C34 N1 C1 59.9(3) 7_575 .
C34 C34 N1 Rh1 -170.85(7) 7_575 .
C18 C1 N1 C33 -175.6(3) . .
C2 C1 N1 C33 -66.6(4) . .
C1 C1 N1 C33 58.5(3) 7_575 .
C18 C1 N1 C34 67.2(4) . .
C2 C1 N1 C34 176.2(3) . .
C1 C1 N1 C34 -58.7(3) 7_575 .
C18 C1 N1 Rh1 -51.1(4) . .
C2 C1 N1 Rh1 57.9(4) . .
C1 C1 N1 Rh1 -176.98(14) 7_575 .
O2 C35 O1 Rh1 -2.9(7) . .
C36 C35 O1 Rh1 176.9(3) . .
O1 C35 O2 Rh1 5.3(6) . 5_567
C36 C35 O2 Rh1 -174.5(3) . 5_567
O4 C37 O3 Rh1 4.5(6) . .
C38 C37 O3 Rh1 -174.1(3) . .
O3 C37 O4 Rh1 -6.3(6) . 5_567
C38 C37 O4 Rh1 172.2(3) . 5_567
