#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:04:53 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178767 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/21/4102115.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_4102115
loop_
_publ_author_name
'Satoshi Takamizawa'
'Ei-ichi Nataka'
'Takamasa Akatsuka'
'Ryosuke Miyake'
'Yoshiki Kakizaki'
'Hirotoshi Takeuchi'
'Goro Maruta'
'Sadamu Takeda'
_publ_section_title
;
 Crystal Transformation and Host Molecular Motions in CO2 Adsorption
 Process of a Metal Benzoate Pyrazine (MII= Rh, Cu)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3783
_journal_page_last               3792
_journal_paper_doi               10.1021/ja9091598
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C36 H28 N2 O12 Rh2'
_chemical_formula_weight         886.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.748(7)
_cell_angle_beta                 99.360(7)
_cell_angle_gamma                90.288(7)
_cell_formula_units_Z            2
_cell_length_a                   10.453(3)
_cell_length_b                   10.896(4)
_cell_length_c                   15.659(5)
_cell_measurement_temperature    90
_cell_volume                     1738.5(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1195
_diffrn_reflns_av_sigmaI/netI    0.2182
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6305
_diffrn_reflns_theta_full        20.81
_diffrn_reflns_theta_max         20.81
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.017
_exptl_absorpt_correction_T_max  0.9051
_exptl_absorpt_correction_T_min  0.5805
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; sheldrick, 1996
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.755
_refine_diff_density_min         -2.672
_refine_diff_density_rms         0.293
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         3616
_refine_ls_number_restraints     750
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.1706
_refine_ls_R_factor_gt           0.1037
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1668P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2456
_refine_ls_wR_factor_ref         0.2757
_reflns_number_gt                1901
_reflns_number_total             3616
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9091598_si_001_16.cif
_cod_data_source_block           305181_3a_2CO2
_cod_original_cell_volume        1738.4(10)
_cod_database_code               4102115
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.792(2) 1.0974(19) 0.5586(15) 0.013(3) Uani 1 1 d U . .
C2 C 0.680(2) 1.1517(19) 0.5911(15) 0.016(3) Uani 1 1 d U . .
C3 C 0.5619(19) 1.1523(18) 0.5375(16) 0.015(4) Uani 1 1 d U . .
H3 H 0.5510 1.1112 0.4786 0.018 Uiso 1 1 calc R . .
C4 C 0.461(2) 1.2112(19) 0.5683(16) 0.019(4) Uani 1 1 d U . .
H4 H 0.3824 1.2144 0.5290 0.023 Uiso 1 1 calc R . .
C5 C 0.468(2) 1.2654(19) 0.6522(15) 0.019(4) Uani 1 1 d U . .
H5 H 0.3947 1.3055 0.6716 0.023 Uiso 1 1 calc R . .
C6 C 0.583(2) 1.2613(19) 0.7099(16) 0.021(4) Uani 1 1 d U . .
H6 H 0.5906 1.2999 0.7692 0.025 Uiso 1 1 calc R . .
C7 C 0.688(2) 1.2009(19) 0.6805(16) 0.018(4) Uani 1 1 d U . .
H7 H 0.7653 1.1927 0.7205 0.021 Uiso 1 1 calc R . .
C8 C 0.951(2) 0.791(2) 0.5544(16) 0.022(3) Uani 1 1 d U . .
C9 C 0.924(2) 0.679(2) 0.5870(17) 0.028(4) Uani 1 1 d U . .
C10 C 0.945(2) 0.669(2) 0.6770(18) 0.034(4) Uani 1 1 d U . .
H10 H 0.9789 0.7387 0.7185 0.041 Uiso 1 1 calc R . .
C11 C 0.919(3) 0.562(2) 0.706(2) 0.041(5) Uani 1 1 d U . .
H11 H 0.9370 0.5565 0.7666 0.049 Uiso 1 1 calc R . .
C12 C 0.866(3) 0.461(3) 0.645(2) 0.044(5) Uani 1 1 d U . .
H12 H 0.8479 0.3860 0.6651 0.053 Uiso 1 1 calc R . .
C13 C 0.840(3) 0.468(2) 0.5607(19) 0.042(5) Uani 1 1 d U . .
H13 H 0.8049 0.3977 0.5202 0.050 Uiso 1 1 calc R . .
C14 C 0.864(2) 0.575(2) 0.5319(19) 0.036(5) Uani 1 1 d U . .
H14 H 0.8380 0.5801 0.4715 0.043 Uiso 1 1 calc R . .
C15 C 0.449(2) 0.3782(19) 0.1219(16) 0.016(3) Uani 1 1 d U . .
C16 C 0.416(2) 0.3088(19) 0.1903(16) 0.019(4) Uani 1 1 d U . .
C17 C 0.435(2) 0.362(2) 0.2790(16) 0.024(4) Uani 1 1 d U . .
H17 H 0.4727 0.4431 0.2957 0.029 Uiso 1 1 calc R . .
C18 C 0.403(2) 0.300(2) 0.3421(18) 0.032(4) Uani 1 1 d U . .
H18 H 0.4201 0.3355 0.4021 0.038 Uiso 1 1 calc R . .
C19 C 0.343(2) 0.183(2) 0.3166(18) 0.030(4) Uani 1 1 d U . .
H19 H 0.3181 0.1390 0.3591 0.036 Uiso 1 1 calc R . .
C20 C 0.321(2) 0.132(2) 0.2297(17) 0.026(4) Uani 1 1 d U . .
H20 H 0.2823 0.0515 0.2133 0.032 Uiso 1 1 calc R . .
C21 C 0.353(2) 0.193(2) 0.1668(17) 0.023(4) Uani 1 1 d U . .
H21 H 0.3317 0.1570 0.1069 0.028 Uiso 1 1 calc R . .
C22 C 0.280(2) 0.607(2) 0.0117(16) 0.019(3) Uani 1 1 d U . .
C23 C 0.153(2) 0.665(2) 0.0173(17) 0.026(4) Uani 1 1 d U . .
C24 C 0.040(2) 0.617(2) -0.0382(18) 0.031(4) Uani 1 1 d U . .
H24 H 0.0431 0.5448 -0.0805 0.038 Uiso 1 1 calc R . .
C25 C -0.077(3) 0.675(2) -0.0313(19) 0.035(5) Uani 1 1 d U . .
H25 H -0.1507 0.6498 -0.0749 0.043 Uiso 1 1 calc R . .
C26 C -0.089(3) 0.763(2) 0.0333(19) 0.041(5) Uani 1 1 d U . .
H26 H -0.1710 0.7962 0.0393 0.050 Uiso 1 1 calc R . .
C27 C 0.023(3) 0.808(2) 0.0946(19) 0.040(5) Uani 1 1 d U . .
H27 H 0.0185 0.8731 0.1418 0.048 Uiso 1 1 calc R . .
C28 C 0.141(3) 0.753(2) 0.0826(18) 0.035(4) Uani 1 1 d U . .
H28 H 0.2163 0.7808 0.1239 0.042 Uiso 1 1 calc R . .
C29 C 0.843(2) 0.758(2) 0.2756(17) 0.022(4) Uani 1 1 d U . .
H29 H 0.9178 0.7257 0.3064 0.027 Uiso 1 1 calc R . .
C30 C 0.769(2) 0.680(2) 0.2075(15) 0.016(4) Uani 1 1 d U . .
H30 H 0.7887 0.5946 0.1964 0.019 Uiso 1 1 calc R . .
C31 C 0.644(2) 0.8469(18) 0.1783(15) 0.016(4) Uani 1 1 d U . .
C32 C 0.714(2) 0.9214(19) 0.2505(15) 0.016(4) Uani 1 1 d U . .
C33 C 0.533(2) 0.899(2) 0.1225(16) 0.026(6) Uani 1 1 d U . .
H33A H 0.5070 0.8405 0.0681 0.039 Uiso 1 1 calc R . .
H33B H 0.5600 0.9786 0.1087 0.039 Uiso 1 1 calc R . .
H33C H 0.4596 0.9105 0.1543 0.039 Uiso 1 1 calc R . .
C34 C 0.682(2) 1.0524(18) 0.2775(16) 0.022(6) Uani 1 1 d U . .
H34A H 0.6023 1.0547 0.3029 0.034 Uiso 1 1 calc R . .
H34B H 0.6694 1.0953 0.2263 0.034 Uiso 1 1 calc R . .
H34C H 0.7533 1.0937 0.3211 0.034 Uiso 1 1 calc R . .
C1S C 0.849(3) 0.086(4) 0.081(3) 0.107(9) Uani 1 1 d DU . .
C2S C 0.751(3) 0.370(2) 0.2572(15) 0.044(6) Uani 1 1 d DU . .
N1 N 0.8158(18) 0.8742(16) 0.3005(13) 0.021(4) Uani 1 1 d U . .
N2 N 0.6693(18) 0.7254(16) 0.1565(13) 0.021(4) Uani 1 1 d U . .
O1 O 0.7815(13) 1.0380(12) 0.4810(10) 0.0143(10) Uani 1 1 d U . .
O2 O 0.9033(13) 1.1087(11) 0.6117(10) 0.0141(12) Uani 1 1 d U . .
O3 O 1.0242(14) 0.8729(12) 0.6077(10) 0.0150(12) Uani 1 1 d U . .
O4 O 0.9001(14) 0.8025(12) 0.4758(10) 0.0148(10) Uani 1 1 d U . .
O5 O 0.5191(13) 0.4785(12) 0.1475(10) 0.0144(10) Uani 1 1 d U . .
O6 O 0.4167(13) 0.3277(12) 0.0439(10) 0.0142(12) Uani 1 1 d U . .
O7 O 0.2778(13) 0.5105(12) -0.0464(10) 0.0142(12) Uani 1 1 d U . .
O8 O 0.3784(13) 0.6582(12) 0.0598(10) 0.0144(10) Uani 1 1 d U . .
O1S O 0.750(3) 0.059(2) 0.038(2) 0.109(6) Uani 1 1 d DU . .
O2S O 0.950(3) 0.106(2) 0.124(2) 0.109(6) Uani 1 1 d DU . .
O3S O 0.755(2) 0.3087(17) 0.1914(14) 0.058(4) Uani 1 1 d DU . .
O4S O 0.742(2) 0.4310(17) 0.3234(14) 0.059(4) Uani 1 1 d DU . .
Rh1 Rh 0.93451(17) 0.96199(15) 0.43043(13) 0.0148(6) Uani 1 1 d U . .
Rh2 Rh 0.55480(17) 0.58032(17) 0.05499(13) 0.0150(6) Uani 1 1 d U . .
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'
Rh Rh -1.1178 0.9187 '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
O1 C1 O2 121(2) . . ?
O1 C1 C2 120.5(19) . . ?
O2 C1 C2 118(2) . . ?
C3 C2 C7 118(2) . . ?
C3 C2 C1 122(2) . . ?
C7 C2 C1 120(2) . . ?
C4 C3 C2 120(2) . . ?
C5 C4 C3 123(2) . . ?
C4 C5 C6 119(2) . . ?
C7 C6 C5 120(2) . . ?
C6 C7 C2 120(2) . . ?
O3 C8 O4 125(2) . . ?
O3 C8 C9 116(2) . . ?
O4 C8 C9 119(2) . . ?
C14 C9 C10 115(2) . . ?
C14 C9 C8 122(2) . . ?
C10 C9 C8 123(2) . . ?
C11 C10 C9 122(3) . . ?
C10 C11 C12 119(3) . . ?
C13 C12 C11 121(3) . . ?
C12 C13 C14 120(3) . . ?
C13 C14 C9 123(3) . . ?
O6 C15 O5 125(2) . . ?
O6 C15 C16 116.7(18) . . ?
O5 C15 C16 118(2) . . ?
C21 C16 C17 118(2) . . ?
C21 C16 C15 120(2) . . ?
C17 C16 C15 121.7(19) . . ?
C18 C17 C16 122(2) . . ?
C17 C18 C19 118(3) . . ?
C20 C19 C18 120(3) . . ?
C21 C20 C19 122(2) . . ?
C20 C21 C16 120(2) . . ?
O8 C22 O7 126(2) . . ?
O8 C22 C23 119(2) . . ?
O7 C22 C23 115(2) . . ?
C28 C23 C24 117(2) . . ?
C28 C23 C22 120(2) . . ?
C24 C23 C22 122(2) . . ?
C23 C24 C25 120(2) . . ?
C26 C25 C24 122(3) . . ?
C25 C26 C27 119(3) . . ?
C28 C27 C26 117(3) . . ?
C23 C28 C27 124(3) . . ?
N1 C29 C30 124(2) . . ?
N2 C30 C29 120(2) . . ?
N2 C31 C32 122.2(19) . . ?
N2 C31 C33 117(2) . . ?
C32 C31 C33 120.4(18) . . ?
N1 C32 C31 120.2(19) . . ?
N1 C32 C34 118(2) . . ?
C31 C32 C34 122.2(19) . . ?
O2S C1S O1S 176(5) . . ?
O3S C2S O4S 177(3) . . ?
C29 N1 C32 117(2) . . ?
C29 N1 Rh1 114.0(15) . . ?
C32 N1 Rh1 129.0(14) . . ?
C30 N2 C31 117(2) . . ?
C30 N2 Rh2 114.0(14) . . ?
C31 N2 Rh2 128.9(14) . . ?
C1 O1 Rh1 122.8(14) . . ?
C1 O2 Rh1 120.2(14) . 2_776 ?
C8 O3 Rh1 119.5(14) . 2_776 ?
C8 O4 Rh1 118.6(14) . . ?
C15 O5 Rh2 117.8(15) . . ?
C15 O6 Rh2 120.0(13) . 2_665 ?
C22 O7 Rh2 118.5(14) . 2_665 ?
C22 O8 Rh2 119.8(14) . . ?
O1 Rh1 O4 89.5(6) . . ?
O1 Rh1 O2 175.7(6) . 2_776 ?
O4 Rh1 O2 90.7(6) . 2_776 ?
O1 Rh1 O3 90.2(6) . 2_776 ?
O4 Rh1 O3 176.4(6) . 2_776 ?
O2 Rh1 O3 89.3(5) 2_776 2_776 ?
O1 Rh1 N1 95.2(6) . . ?
O4 Rh1 N1 87.0(6) . . ?
O2 Rh1 N1 89.1(6) 2_776 . ?
O3 Rh1 N1 96.6(6) 2_776 . ?
O1 Rh1 Rh1 87.2(4) . 2_776 ?
O4 Rh1 Rh1 89.0(4) . 2_776 ?
O2 Rh1 Rh1 88.5(4) 2_776 2_776 ?
O3 Rh1 Rh1 87.4(4) 2_776 2_776 ?
N1 Rh1 Rh1 175.3(4) . 2_776 ?
O6 Rh2 O7 90.5(6) 2_665 2_665 ?
O6 Rh2 O5 175.9(6) 2_665 . ?
O7 Rh2 O5 89.5(6) 2_665 . ?
O6 Rh2 O8 91.2(6) 2_665 . ?
O7 Rh2 O8 175.3(6) 2_665 . ?
O5 Rh2 O8 88.5(6) . . ?
O6 Rh2 N2 92.2(6) 2_665 . ?
O7 Rh2 N2 88.1(6) 2_665 . ?
O5 Rh2 N2 91.9(6) . . ?
O8 Rh2 N2 96.2(6) . . ?
O6 Rh2 Rh2 87.4(4) 2_665 2_665 ?
O7 Rh2 Rh2 88.4(4) 2_665 2_665 ?
O5 Rh2 Rh2 88.5(4) . 2_665 ?
O8 Rh2 Rh2 87.3(4) . 2_665 ?
N2 Rh2 Rh2 176.4(5) . 2_665 ?
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
C1 O1 1.27(2) . ?
C1 O2 1.31(2) . ?
C1 C2 1.45(3) . ?
C2 C3 1.38(3) . ?
C2 C7 1.41(3) . ?
C3 C4 1.35(3) . ?
C4 C5 1.35(3) . ?
C5 C6 1.39(3) . ?
C6 C7 1.39(3) . ?
C8 O3 1.28(3) . ?
C8 O4 1.28(3) . ?
C8 C9 1.44(3) . ?
C9 C14 1.39(3) . ?
C9 C10 1.41(4) . ?
C10 C11 1.35(3) . ?
C11 C12 1.38(4) . ?
C12 C13 1.32(4) . ?
C13 C14 1.35(3) . ?
C15 O6 1.25(2) . ?
C15 O5 1.28(2) . ?
C15 C16 1.48(3) . ?
C16 C21 1.39(3) . ?
C16 C17 1.40(3) . ?
C17 C18 1.36(3) . ?
C18 C19 1.38(3) . ?
C19 C20 1.37(3) . ?
C20 C21 1.35(3) . ?
C22 O8 1.25(2) . ?
C22 O7 1.28(2) . ?
C22 C23 1.48(3) . ?
C23 C28 1.32(3) . ?
C23 C24 1.40(3) . ?
C24 C25 1.40(3) . ?
C25 C26 1.30(3) . ?
C26 C27 1.42(4) . ?
C27 C28 1.40(3) . ?
C29 N1 1.31(3) . ?
C29 C30 1.38(3) . ?
C30 N2 1.35(3) . ?
C31 N2 1.35(3) . ?
C31 C32 1.39(3) . ?
C31 C33 1.50(3) . ?
C32 N1 1.36(3) . ?
C32 C34 1.48(3) . ?
C1S O2S 1.155(18) . ?
C1S O1S 1.156(18) . ?
C2S O3S 1.149(16) . ?
C2S O4S 1.158(16) . ?
N1 Rh1 2.274(19) . ?
N2 Rh2 2.248(18) . ?
O1 Rh1 2.024(14) . ?
O2 Rh1 2.031(14) 2_776 ?
O3 Rh1 2.045(13) 2_776 ?
O4 Rh1 2.026(14) . ?
O5 Rh2 2.032(14) . ?
O6 Rh2 2.028(14) 2_665 ?
O7 Rh2 2.028(14) 2_665 ?
O8 Rh2 2.041(14) . ?
Rh1 O2 2.031(14) 2_776 ?
Rh1 O3 2.045(13) 2_776 ?
Rh1 Rh1 2.404(4) 2_776 ?
Rh2 O6 2.028(14) 2_665 ?
Rh2 O7 2.028(14) 2_665 ?
Rh2 Rh2 2.401(4) 2_665 ?
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
O1 C1 C2 C3 -7(3) . . . . ?
O2 C1 C2 C3 174.9(19) . . . . ?
O1 C1 C2 C7 170.5(19) . . . . ?
O2 C1 C2 C7 -8(3) . . . . ?
C7 C2 C3 C4 7(3) . . . . ?
C1 C2 C3 C4 -176(2) . . . . ?
C2 C3 C4 C5 -4(3) . . . . ?
C3 C4 C5 C6 0(3) . . . . ?
C4 C5 C6 C7 -1(3) . . . . ?
C5 C6 C7 C2 5(3) . . . . ?
C3 C2 C7 C6 -8(3) . . . . ?
C1 C2 C7 C6 175(2) . . . . ?
O3 C8 C9 C14 -169(2) . . . . ?
O4 C8 C9 C14 11(4) . . . . ?
O3 C8 C9 C10 17(4) . . . . ?
O4 C8 C9 C10 -163(2) . . . . ?
C14 C9 C10 C11 6(4) . . . . ?
C8 C9 C10 C11 180(2) . . . . ?
C9 C10 C11 C12 -2(4) . . . . ?
C10 C11 C12 C13 0(4) . . . . ?
C11 C12 C13 C14 -1(5) . . . . ?
C12 C13 C14 C9 5(4) . . . . ?
C10 C9 C14 C13 -7(4) . . . . ?
C8 C9 C14 C13 179(2) . . . . ?
O6 C15 C16 C21 0(3) . . . . ?
O5 C15 C16 C21 -173(2) . . . . ?
O6 C15 C16 C17 -173(2) . . . . ?
O5 C15 C16 C17 13(3) . . . . ?
C21 C16 C17 C18 5(3) . . . . ?
C15 C16 C17 C18 179(2) . . . . ?
C16 C17 C18 C19 -3(4) . . . . ?
C17 C18 C19 C20 1(4) . . . . ?
C18 C19 C20 C21 -2(4) . . . . ?
C19 C20 C21 C16 3(4) . . . . ?
C17 C16 C21 C20 -5(3) . . . . ?
C15 C16 C21 C20 -179(2) . . . . ?
O8 C22 C23 C28 -13(4) . . . . ?
O7 C22 C23 C28 170(2) . . . . ?
O8 C22 C23 C24 176(2) . . . . ?
O7 C22 C23 C24 -1(4) . . . . ?
C28 C23 C24 C25 10(4) . . . . ?
C22 C23 C24 C25 -179(2) . . . . ?
C23 C24 C25 C26 -10(4) . . . . ?
C24 C25 C26 C27 5(4) . . . . ?
C25 C26 C27 C28 -1(4) . . . . ?
C24 C23 C28 C27 -6(4) . . . . ?
C22 C23 C28 C27 -177(2) . . . . ?
C26 C27 C28 C23 1(4) . . . . ?
N1 C29 C30 N2 6(4) . . . . ?
N2 C31 C32 N1 2(4) . . . . ?
C33 C31 C32 N1 -179(2) . . . . ?
N2 C31 C32 C34 -176(2) . . . . ?
C33 C31 C32 C34 2(4) . . . . ?
C30 C29 N1 C32 -6(4) . . . . ?
C30 C29 N1 Rh1 168.6(19) . . . . ?
C31 C32 N1 C29 1(3) . . . . ?
C34 C32 N1 C29 180(2) . . . . ?
C31 C32 N1 Rh1 -171.9(17) . . . . ?
C34 C32 N1 Rh1 7(3) . . . . ?
C29 C30 N2 C31 -3(3) . . . . ?
C29 C30 N2 Rh2 -176.4(17) . . . . ?
C32 C31 N2 C30 -2(3) . . . . ?
C33 C31 N2 C30 -180(2) . . . . ?
C32 C31 N2 Rh2 171.2(17) . . . . ?
C33 C31 N2 Rh2 -7(3) . . . . ?
O2 C1 O1 Rh1 -3(3) . . . . ?
C2 C1 O1 Rh1 179.0(14) . . . . ?
O1 C1 O2 Rh1 3(3) . . . 2_776 ?
C2 C1 O2 Rh1 -178.7(14) . . . 2_776 ?
O4 C8 O3 Rh1 1(3) . . . 2_776 ?
C9 C8 O3 Rh1 -178.6(15) . . . 2_776 ?
O3 C8 O4 Rh1 -1(3) . . . . ?
C9 C8 O4 Rh1 178.8(16) . . . . ?
O6 C15 O5 Rh2 11(3) . . . . ?
C16 C15 O5 Rh2 -175.9(14) . . . . ?
O5 C15 O6 Rh2 -11(3) . . . 2_665 ?
C16 C15 O6 Rh2 175.5(13) . . . 2_665 ?
O8 C22 O7 Rh2 6(3) . . . 2_665 ?
C23 C22 O7 Rh2 -176.8(15) . . . 2_665 ?
O7 C22 O8 Rh2 -4(3) . . . . ?
C23 C22 O8 Rh2 179.2(16) . . . . ?
C1 O1 Rh1 O4 90.1(15) . . . . ?
C1 O1 Rh1 O2 -3(8) . . . 2_776 ?
C1 O1 Rh1 O3 -86.3(15) . . . 2_776 ?
C1 O1 Rh1 N1 177.0(15) . . . . ?
C1 O1 Rh1 Rh1 1.0(14) . . . 2_776 ?
C8 O4 Rh1 O1 -86.9(17) . . . . ?
C8 O4 Rh1 O2 88.7(16) . . . 2_776 ?
C8 O4 Rh1 O3 -2(10) . . . 2_776 ?
C8 O4 Rh1 N1 177.8(17) . . . . ?
C8 O4 Rh1 Rh1 0.3(16) . . . 2_776 ?
C29 N1 Rh1 O1 -133.3(18) . . . . ?
C32 N1 Rh1 O1 40(2) . . . . ?
C29 N1 Rh1 O4 -44.1(18) . . . . ?
C32 N1 Rh1 O4 129(2) . . . . ?
C29 N1 Rh1 O2 46.7(18) . . . 2_776 ?
C32 N1 Rh1 O2 -140(2) . . . 2_776 ?
C29 N1 Rh1 O3 135.9(18) . . . 2_776 ?
C32 N1 Rh1 O3 -51(2) . . . 2_776 ?
C29 N1 Rh1 Rh1 -12(8) . . . 2_776 ?
C32 N1 Rh1 Rh1 161(5) . . . 2_776 ?
C15 O5 Rh2 O6 -3(8) . . . 2_665 ?
C15 O5 Rh2 O7 -93.2(15) . . . 2_665 ?
C15 O5 Rh2 O8 82.6(14) . . . . ?
C15 O5 Rh2 N2 178.7(15) . . . . ?
C15 O5 Rh2 Rh2 -4.8(14) . . . 2_665 ?
C22 O8 Rh2 O6 87.5(17) . . . 2_665 ?
C22 O8 Rh2 O7 -24(8) . . . 2_665 ?
C22 O8 Rh2 O5 -88.4(17) . . . . ?
C22 O8 Rh2 N2 179.8(17) . . . . ?
C22 O8 Rh2 Rh2 0.2(16) . . . 2_665 ?
C30 N2 Rh2 O6 -123.9(16) . . . 2_665 ?
C31 N2 Rh2 O6 63(2) . . . 2_665 ?
C30 N2 Rh2 O7 -33.5(16) . . . 2_665 ?
C31 N2 Rh2 O7 154(2) . . . 2_665 ?
C30 N2 Rh2 O5 56.0(17) . . . . ?
C31 N2 Rh2 O5 -117(2) . . . . ?
C30 N2 Rh2 O8 144.7(16) . . . . ?
C31 N2 Rh2 O8 -28(2) . . . . ?
C30 N2 Rh2 Rh2 -41(9) . . . 2_665 ?
C31 N2 Rh2 Rh2 146(7) . . . 2_665 ?
