# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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data_(2)
#  Compound (2) at 90 K 
_audit_creation_method           SHELXL-2012
_chemical_name_systematic        (2)
_chemical_name_common            {Rh2(O2CCH3)4N(CH2CH2)2NC60}n.nC60.2nCS2
_chemical_melting_point          ?
_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

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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.
;

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'

_cell_length_a                   19.2432(8)
_cell_length_b                   19.6828(8)
_cell_length_c                   19.9173(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7543.9(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9850
_cell_measurement_theta_min      4.44
_cell_measurement_theta_max      68.32

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_F_000             4224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.136
_exptl_crystal_size_mid          0.117
_exptl_crystal_size_min          0.039
_exptl_absorpt_coefficient_mu    5.266
_shelx_estimated_absorpt_T_min   0.534
_shelx_estimated_absorpt_T_max   0.821
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6223
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker ApexDUO'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            64991
_diffrn_reflns_av_unetI/netI     0.0240
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.193
_diffrn_reflns_theta_max         68.414
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7122
_reflns_number_gt                6611
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1013P)²+45.6733P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     .
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7122
_refine_ls_number_parameters     685
_refine_ls_number_restraints     76
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0603
_refine_ls_wR_factor_ref         0.1748
_refine_ls_wR_factor_gt          0.1720
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 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_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
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_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
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 ?

_refine_diff_density_max         1.678
_refine_diff_density_min         -1.588
_refine_diff_density_rms         0.147

_shelxl_version_number           2012-9



_database_code_depnum_ccdc_archive 'CCDC 1016153'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_(2)at180k
# Compound (2) at 180 K
_audit_creation_method           SHELXL-2012
_chemical_name_systematic        '(2) at 180K'
_chemical_name_common            {Rh2(O2CCH3)4N(CH2CH2)2NC60}nnC602nCS2
_chemical_melting_point          ?
_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

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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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.
;

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'

_cell_length_a                   19.3103(8)
_cell_length_b                   19.7315(8)
_cell_length_c                   19.9656(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7607.3(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    6818
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      20.66

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_F_000             4224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.035
_exptl_absorpt_coefficient_mu    0.629
_shelx_estimated_absorpt_T_min   0.879
_shelx_estimated_absorpt_T_max   0.978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6684
_exptl_absorpt_correction_T_max  0.6684
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            84489
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_av_R_equivalents  0.1018
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.297
_diffrn_reflns_theta_max         27.506
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8972
_reflns_number_gt                6112
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 The free fullerene showed two different orientations at this temprature (T=180 K). This unit is refined isotropically to avoid a large increase
in number of parameters. The solvent molecule gets more disordered at higher tempratures and was refined isotropically. RESI was used to model
two different orientation of free C60 fullerene.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1383P)²+34.6816P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8972
_refine_ls_number_parameters     535
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_gt           0.0837
_refine_ls_wR_factor_ref         0.2605
_refine_ls_wR_factor_gt          0.2316
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.0921(3) 0.7086(3) 0.9374(3) 0.0234(11) Uani 1 1 d . . . . .
C2 C 0.0955(3) 0.6776(3) 0.8668(3) 0.0274(12) Uani 1 1 d . . . . .
C3 C 0.0857(3) 0.7127(3) 0.8086(3) 0.0307(12) Uani 1 1 d . . . . .
C4 C 0.1185(3) 0.6908(4) 0.7471(3) 0.0404(16) Uani 1 1 d . . . . .
C5 C 0.1389(5) 0.7500 0.7099(5) 0.043(2) Uani 1 2 d S T P . .
C6 C 0.1996(6) 0.7500 0.6725(5) 0.046(2) Uani 1 2 d S T P . .
C7 C 0.2441(4) 0.6911(4) 0.6727(3) 0.0487(19) Uani 1 1 d . . . . .
C8 C 0.3149(4) 0.7135(4) 0.6730(4) 0.0500(19) Uani 1 1 d . . . . .
C9 C 0.3648(4) 0.6781(4) 0.7108(4) 0.0520(19) Uani 1 1 d . . . . .
C10 C 0.4152(4) 0.7152(4) 0.7488(4) 0.0479(18) Uani 1 1 d . . . . .
C11 C 0.4279(4) 0.6785(4) 0.8120(4) 0.0513(19) Uani 1 1 d . . . . .
C12 C 0.4380(3) 0.7134(4) 0.8711(4) 0.0512(19) Uani 1 1 d . . . . .
C13 C 0.4051(3) 0.6904(4) 0.9319(4) 0.0498(19) Uani 1 1 d . . . . .
C14 C 0.3853(5) 0.7500 0.9704(5) 0.050(3) Uani 1 2 d S T P . .
C15 C 0.3221(5) 0.7500 1.0057(5) 0.044(2) Uani 1 2 d S T P . .
C16 C 0.2772(4) 0.6908(4) 1.0049(3) 0.0395(16) Uani 1 1 d . . . . .
C17 C 0.2067(3) 0.7124(3) 1.0035(3) 0.0307(13) Uani 1 1 d . . . . .
C18 C 0.1578(3) 0.6780(3) 0.9681(3) 0.0273(11) Uani 1 1 d . . . . .
C19 C 0.1794(3) 0.6198(3) 0.9289(3) 0.0338(13) Uani 1 1 d . . . . .
C20 C 0.1413(3) 0.6206(3) 0.8669(3) 0.0330(13) Uani 1 1 d . . . . .
C21 C 0.1728(4) 0.5969(3) 0.8079(3) 0.0402(16) Uani 1 1 d . . . . .
C22 C 0.1611(4) 0.6331(4) 0.7475(4) 0.0444(17) Uani 1 1 d . . . . .
C23 C 0.2253(4) 0.6327(4) 0.7089(4) 0.0504(19) Uani 1 1 d . . . . .
C24 C 0.2765(4) 0.5971(4) 0.7471(4) 0.0487(19) Uani 1 1 d . . . . .
C25 C 0.3445(4) 0.6180(4) 0.7479(4) 0.0508(19) Uani 1 1 d . . . . .
C26 C 0.3833(4) 0.6183(4) 0.8103(4) 0.0503(19) Uani 1 1 d . . . . .
C27 C 0.3514(4) 0.5971(4) 0.8688(4) 0.0473(18) Uani 1 1 d . . . . .
C28 C 0.3629(4) 0.6334(4) 0.9312(4) 0.0495(19) Uani 1 1 d . . . . .
C29 C 0.2984(4) 0.6334(4) 0.9688(4) 0.0440(17) Uani 1 1 d . . . . .
C30 C 0.2472(3) 0.5970(3) 0.9304(4) 0.0401(15) Uani 1 1 d . . . . .
C31 C 0.2786(4) 0.5743(4) 0.8675(4) 0.0483(19) Uani 1 1 d . . . . .
C32 C 0.2426(4) 0.5742(3) 0.8087(4) 0.0461(18) Uani 1 1 d . . . . .
C33 C -0.0336(3) 0.7107(3) 0.9393(3) 0.0267(11) Uani 1 1 d . . . . .
H33A H -0.0757 0.6940 0.9624 0.032 Uiso 1 1 calc R U . . .
H33B H -0.0348 0.6940 0.8926 0.032 Uiso 1 1 calc R U . . .
C34 C 0.0300(3) 0.7109(3) 1.0428(3) 0.0248(11) Uani 1 1 d . . . . .
H34A H 0.0719 0.6943 1.0663 0.030 Uiso 1 1 calc R U . . .
H34B H -0.0111 0.6943 1.0675 0.030 Uiso 1 1 calc R U . . .
C35 C 0.0332(3) 0.4767(3) 0.8755(3) 0.0321(13) Uani 1 1 d . . . . .
C36 C 0.0481(4) 0.4663(4) 0.8026(3) 0.0454(17) Uani 1 1 d . . . . .
H36A H 0.0473 0.4178 0.7923 0.068 Uiso 1 1 calc R U . . .
H36B H 0.0939 0.4848 0.7920 0.068 Uiso 1 1 calc R U . . .
H36C H 0.0129 0.4897 0.7758 0.068 Uiso 1 1 calc R U . . .
C37 C 0.1260(3) 0.4870(3) 1.0462(3) 0.0318(13) Uani 1 1 d . . . . .
C38 C 0.1959(3) 0.4836(3) 1.0789(3) 0.0396(15) Uani 1 1 d . . . . .
H38A H 0.2075 0.4363 1.0884 0.059 Uiso 1 1 calc R U . . .
H38B H 0.1950 0.5094 1.1208 0.059 Uiso 1 1 calc R U . . .
H38C H 0.2307 0.5030 1.0488 0.059 Uiso 1 1 calc R U . . .
N1 N 0.0290(2) 0.6834(2) 0.9737(2) 0.0220(9) Uani 1 1 d . . . . .
O1 O 0.0340(2) 0.5376(2) 0.8957(2) 0.0348(9) Uani 1 1 d . . . . .
O2 O 0.0211(2) 0.4253(2) 0.9112(2) 0.0362(10) Uani 1 1 d . . . . .
O3 O 0.1065(2) 0.5457(2) 1.0276(2) 0.0326(9) Uani 1 1 d . . . . .
O4 O 0.0905(2) 0.4332(2) 1.0409(2) 0.0364(10) Uani 1 1 d . . . . .
Rh1 Rh 0.00886(2) 0.55995(2) 0.99165(2) 0.02728(18) Uani 1 1 d . . . . .
C39_1 C 0.6362(4) 0.5903(3) 1.0823(3) 0.062(6) Uiso 0.290(5) 1 d G . P A -1
C40_1 C 0.6881(4) 0.5729(3) 1.1332(3) 0.044(6) Uiso 0.290(5) 1 d G . P A -1
C41_1 C 0.7557(4) 0.5952(3) 1.1098(3) 0.049(6) Uiso 0.290(5) 1 d G . P A -1
C42_1 C 0.7446(3) 0.6273(4) 1.0436(3) 0.060(9) Uiso 0.290(5) 1 d G . P A -1
C43_1 C 0.6716(4) 0.6243(3) 1.0286(3) 0.089(12) Uiso 0.290(5) 1 d G . P A -1
C44_1 C 0.6399(3) 0.6778(4) 0.9965(2) 0.076(11) Uiso 0.290(5) 1 d G . P A -1
C45_1 C 0.5712(3) 0.7009(4) 1.0166(3) 0.051(6) Uiso 0.290(5) 1 d G . P A -1
C46_1 C 0.5376(3) 0.6679(4) 1.0698(3) 0.079(13) Uiso 0.290(5) 1 d G . P A -1
C47_1 C 0.5711(3) 0.6120(3) 1.1041(3) 0.046(6) Uiso 0.290(5) 1 d G . P A -1
C48_1 C 0.5539(3) 0.6166(3) 1.1731(3) 0.026(4) Uiso 0.290(5) 1 d G . P A -1
C49_1 C 0.6041(4) 0.5996(3) 1.2216(3) 0.025(5) Uiso 0.290(5) 1 d G . P A -1
C50_1 C 0.6719(4) 0.5771(3) 1.2006(3) 0.042(9) Uiso 0.290(5) 1 d G . P A -1
C51_1 C 0.7227(4) 0.6054(3) 1.2471(3) 0.036(5) Uiso 0.290(5) 1 d G . P A -1
C52_1 C 0.7871(3) 0.6270(3) 1.2235(3) 0.085(11) Uiso 0.290(5) 1 d G . P A -1
C53_1 C 0.8031(3) 0.6222(4) 1.1528(3) 0.069(10) Uiso 0.290(5) 1 d G . P A -1
C54_1 C 0.8431(2) 0.6816(4) 1.1354(3) 0.070(13) Uiso 0.290(5) 1 d G . P A -1
C55_1 C 0.8331(2) 0.7118(4) 1.0739(3) 0.19(5) Uiso 0.290(5) 1 d G . P A -1
C56_1 C 0.7832(3) 0.6844(4) 1.0272(3) 0.065(10) Uiso 0.290(5) 1 d G . P A -1
C57_1 C 0.7499(3) 0.7461(4) 0.9935(2) 0.060(6) Uiso 0.290(5) 1 d G . P A -1
C58_1 C 0.6795(3) 0.7373(4) 0.9779(2) 0.08(2) Uiso 0.290(5) 1 d G . P A -1
C59_1 C 0.6367(3) 0.7963(4) 0.9882(2) 0.054(7) Uiso 0.290(5) 1 d G . P A -1
C60_1 C 0.5687(3) 0.7736(4) 1.0119(3) 0.046(8) Uiso 0.290(5) 1 d G . P A -1
C61_1 C 0.5335(3) 0.8117(4) 1.0593(3) 0.036(5) Uiso 0.290(5) 1 d G . P A -1
C62_1 C 0.4982(2) 0.7767(4) 1.1137(3) 0.061(10) Uiso 0.290(5) 1 d G . P A -1
C63_1 C 0.5006(2) 0.7075(4) 1.1186(3) 0.088(9) Uiso 0.290(5) 1 d G . P A -1
C64_1 C 0.5112(2) 0.6757(4) 1.1835(3) 0.055(10) Uiso 0.290(5) 1 d G . P A -1
C65_1 C 0.5189(2) 0.7155(4) 1.2409(3) 0.052(9) Uiso 0.290(5) 1 d G . P A -1
C66_1 C 0.5710(3) 0.6979(4) 1.2903(3) 0.066(9) Uiso 0.290(5) 1 d G . P A -1
C67_1 C 0.6128(3) 0.6414(4) 1.2812(3) 0.039(5) Uiso 0.290(5) 1 d G . P A -1
C68_1 C 0.6858(3) 0.6445(3) 1.2969(3) 0.039(5) Uiso 0.290(5) 1 d G . P A -1
C69_1 C 0.7148(3) 0.7039(4) 1.3215(2) 0.069(9) Uiso 0.290(5) 1 d G . P A -1
C70_1 C 0.7810(3) 0.7272(4) 1.2971(3) 0.069(16) Uiso 0.290(5) 1 d G . P A -1
C71_1 C 0.8165(3) 0.6892(4) 1.2493(3) 0.034(5) Uiso 0.290(5) 1 d G . P A -1
C72_1 C 0.8513(2) 0.7226(4) 1.1947(3) 0.072(14) Uiso 0.290(5) 1 d G . P A -1
C73_1 C 0.8501(2) 0.7936(4) 1.1899(3) 0.083(19) Uiso 0.290(5) 1 d G . P A -1
C74_1 C 0.8395(2) 0.8250(4) 1.1254(3) 0.058(10) Uiso 0.290(5) 1 d G . P A -1
C75_1 C 0.8321(2) 0.7858(4) 1.0685(3) 0.050(9) Uiso 0.290(5) 1 d G . P A -1
C76_1 C 0.7798(3) 0.8028(4) 1.0182(3) 0.067(10) Uiso 0.290(5) 1 d G . P A -1
C77_1 C 0.7380(3) 0.8602(4) 1.0280(3) 0.054(7) Uiso 0.290(5) 1 d G . P A -1
C78_1 C 0.6644(4) 0.8562(4) 1.0118(3) 0.039(5) Uiso 0.290(5) 1 d G . P A -1
C79_1 C 0.6278(4) 0.8960(3) 1.0627(3) 0.044(6) Uiso 0.290(5) 1 d G . P A -1
C80_1 C 0.5632(3) 0.8737(3) 1.0844(3) 0.057(7) Uiso 0.290(5) 1 d G . P A -1
C81_1 C 0.5469(3) 0.8781(3) 1.1556(3) 0.14(3) Uiso 0.290(5) 1 d G . P A -1
C82_1 C 0.5066(2) 0.8190(4) 1.1733(3) 0.069(12) Uiso 0.290(5) 1 d G . P A -1
C83_1 C 0.5162(2) 0.7881(4) 1.2359(3) 0.19(5) Uiso 0.290(5) 1 d G . P A -1
C84_1 C 0.5673(3) 0.8166(4) 1.2817(3) 0.042(6) Uiso 0.290(5) 1 d G . P A -1
C85_1 C 0.6009(3) 0.7603(4) 1.3166(2) 0.074(8) Uiso 0.290(5) 1 d G . P A -1
C86_1 C 0.6703(3) 0.7638(4) 1.3312(2) 0.10(3) Uiso 0.290(5) 1 d G . P A -1
C87_1 C 0.7106(3) 0.8227(3) 1.3131(2) 0.13(2) Uiso 0.290(5) 1 d G . P A -1
C88_1 C 0.7798(3) 0.8008(4) 1.2923(3) 0.052(7) Uiso 0.290(5) 1 d G . P A -1
C89_1 C 0.8123(3) 0.8330(4) 1.2392(3) 0.16(2) Uiso 0.290(5) 1 d G . P A -1
C90_1 C 0.7794(3) 0.8889(3) 1.2065(3) 0.046(6) Uiso 0.290(5) 1 d G . P A -1
C91_1 C 0.7955(3) 0.8840(4) 1.1351(4) 0.037(5) Uiso 0.290(5) 1 d G . P A -1
C92_1 C 0.7469(4) 0.9011(3) 1.0873(3) 0.043(9) Uiso 0.290(5) 1 d G . P A -1
C93_1 C 0.6775(4) 0.9231(3) 1.1085(3) 0.042(8) Uiso 0.290(5) 1 d G . P A -1
C94_1 C 0.6626(4) 0.9285(3) 1.1762(3) 0.041(5) Uiso 0.290(5) 1 d G . P A -1
C95_1 C 0.5957(4) 0.9048(3) 1.1999(3) 0.050(6) Uiso 0.290(5) 1 d G . P A -1
C96_1 C 0.6055(3) 0.8731(3) 1.2637(3) 0.052(7) Uiso 0.290(5) 1 d G . P A -1
C97_1 C 0.6789(4) 0.8766(3) 1.2804(3) 0.065(8) Uiso 0.290(5) 1 d G . P A -1
C98_1 C 0.7136(4) 0.9105(3) 1.2256(3) 0.031(4) Uiso 0.290(5) 1 d G . P A -1
C39_2 C 0.5298(5) 0.8322(5) 1.0840(5) 0.070(16) Uiso 0.210(5) 1 d G . P A -2
C40_2 C 0.5881(6) 0.8698(5) 1.0549(5) 0.069(12) Uiso 0.210(5) 1 d G . P A -2
C41_2 C 0.6178(5) 0.9130(4) 1.1063(5) 0.076(13) Uiso 0.210(5) 1 d G . P A -2
C42_2 C 0.5771(5) 0.9013(4) 1.1681(5) 0.048(8) Uiso 0.210(5) 1 d G . P A -2
C43_2 C 0.5246(4) 0.8514(5) 1.1532(5) 0.075(13) Uiso 0.210(5) 1 d G . P A -2
C44_2 C 0.5073(4) 0.8033(5) 1.2005(5) 0.034(7) Uiso 0.210(5) 1 d G . P A -2
C45_2 C 0.4948(3) 0.7330(5) 1.1812(6) 0.046(9) Uiso 0.210(5) 1 d G . P A -2
C46_2 C 0.5015(4) 0.7123(5) 1.1136(6) 0.088(9) Uiso 0.210(5) 1 d G . P A -2
C47_2 C 0.5198(4) 0.7650(6) 1.0639(5) 0.12(2) Uiso 0.210(5) 1 d G . P A -2
C48_2 C 0.5640(5) 0.7296(6) 1.0160(4) 0.16(4) Uiso 0.210(5) 1 d G . P A -2
C49_2 C 0.6192(6) 0.7698(6) 0.9882(4) 0.091(17) Uiso 0.210(5) 1 d G . P A -2
C50_2 C 0.6309(6) 0.8392(5) 1.0081(4) 0.059(11) Uiso 0.210(5) 1 d G . P A -2
C51_2 C 0.7056(6) 0.8499(5) 1.0122(4) 0.10(2) Uiso 0.210(5) 1 d G . P A -2
C52_2 C 0.7332(6) 0.8913(5) 1.0624(5) 0.19(6) Uiso 0.210(5) 1 d G . P A -2
C53_2 C 0.6876(6) 0.9228(4) 1.1108(5) 0.08(2) Uiso 0.210(5) 1 d G . P A -2
C54_2 C 0.7231(5) 0.9219(4) 1.1746(5) 0.12(2) Uiso 0.210(5) 1 d G . P A -2
C55_2 C 0.6856(5) 0.9109(4) 1.2323(5) 0.073(13) Uiso 0.210(5) 1 d G . P A -2
C56_2 C 0.6116(5) 0.9004(4) 1.2292(5) 0.13(4) Uiso 0.210(5) 1 d G . P A -2
C57_2 C 0.5935(5) 0.8495(4) 1.2790(4) 0.040(7) Uiso 0.210(5) 1 d G . P A -2
C58_2 C 0.5418(4) 0.8023(5) 1.2649(5) 0.023(5) Uiso 0.210(5) 1 d G . P A -2
C59_2 C 0.5521(4) 0.7313(5) 1.2841(5) 0.055(10) Uiso 0.210(5) 1 d G . P A -2
C60_2 C 0.5222(4) 0.6891(5) 1.2323(5) 0.047(9) Uiso 0.210(5) 1 d G . P A -2
C61_2 C 0.5548(5) 0.6289(4) 1.2155(5) 0.095(17) Uiso 0.210(5) 1 d G . P A -2
C62_2 C 0.5601(5) 0.6102(4) 1.1452(6) 0.060(12) Uiso 0.210(5) 1 d G . P A -2
C63_2 C 0.5343(5) 0.6519(5) 1.0963(5) 0.16(4) Uiso 0.210(5) 1 d G . P A -2
C64_2 C 0.5739(5) 0.6634(5) 1.0354(5) 0.089(16) Uiso 0.210(5) 1 d G . P A -2
C65_2 C 0.6382(6) 0.6323(5) 1.0266(4) 0.042(8) Uiso 0.210(5) 1 d G . P A -2
C66_2 C 0.6954(6) 0.6705(6) 0.9984(4) 0.070(13) Uiso 0.210(5) 1 d G . P A -2
C67_2 C 0.6870(6) 0.7357(6) 0.9798(3) 0.09(3) Uiso 0.210(5) 1 d G . P A -2
C68_2 C 0.7396(6) 0.7872(6) 0.9941(4) 0.082(15) Uiso 0.210(5) 1 d G . P A -2
C69_2 C 0.7999(5) 0.7694(6) 1.0267(5) 0.080(15) Uiso 0.210(5) 1 d G . P A -2
C70_2 C 0.8286(4) 0.8100(6) 1.0791(6) 0.042(8) Uiso 0.210(5) 1 d G . P A -2
C71_2 C 0.7960(5) 0.8706(5) 1.0962(6) 0.081(14) Uiso 0.210(5) 1 d G . P A -2
C72_2 C 0.7896(5) 0.8898(5) 1.1655(6) 0.085(17) Uiso 0.210(5) 1 d G . P A -2
C73_2 C 0.8169(4) 0.8480(5) 1.2159(6) 0.16(2) Uiso 0.210(5) 1 d G . P A -2
C74_2 C 0.7774(5) 0.8366(5) 1.2762(5) 0.086(15) Uiso 0.210(5) 1 d G . P A -2
C75_2 C 0.7140(5) 0.8675(4) 1.2852(4) 0.030(6) Uiso 0.210(5) 1 d G . P A -2
C76_2 C 0.6557(5) 0.8298(5) 1.3135(4) 0.044(8) Uiso 0.210(5) 1 d G . P A -2
C77_2 C 0.6642(5) 0.7668(5) 1.3320(3) 0.06(2) Uiso 0.210(5) 1 d G . P A -2
C78_2 C 0.6113(5) 0.7126(5) 1.3175(4) 0.11(2) Uiso 0.210(5) 1 d G . P A -2
C79_2 C 0.6465(5) 0.6493(4) 1.2992(4) 0.061(11) Uiso 0.210(5) 1 d G . P A -2
C80_2 C 0.6172(5) 0.6087(4) 1.2498(5) 0.15(4) Uiso 0.210(5) 1 d G . P A -2
C81_2 C 0.6628(5) 0.5771(4) 1.2007(5) 0.08(2) Uiso 0.210(5) 1 d G . P A -2
C82_2 C 0.6275(5) 0.5775(4) 1.1368(5) 0.11(2) Uiso 0.210(5) 1 d G . P A -2
C83_2 C 0.6653(6) 0.5884(4) 1.0778(5) 0.062(6) Uiso 0.210(5) 1 d G . P A -2
C84_2 C 0.7399(6) 0.5993(4) 1.0825(5) 0.11(4) Uiso 0.210(5) 1 d G . P A -2
C85_2 C 0.7590(6) 0.6498(5) 1.0322(5) 0.041(7) Uiso 0.210(5) 1 d G . P A -2
C86_2 C 0.8094(5) 0.6967(6) 1.0466(5) 0.061(11) Uiso 0.210(5) 1 d G . P A -2
C87_2 C 0.8443(4) 0.6966(6) 1.1106(6) 0.059(10) Uiso 0.210(5) 1 d G . P A -2
C88_2 C 0.8572(4) 0.7667(6) 1.1311(6) 0.059(11) Uiso 0.210(5) 1 d G . P A -2
C89_2 C 0.8493(3) 0.7881(6) 1.1978(6) 0.13(6) Uiso 0.210(5) 1 d G . P A -2
C90_2 C 0.8327(4) 0.7343(5) 1.2467(5) 0.088(15) Uiso 0.210(5) 1 d G . P A -2
C91_2 C 0.7858(5) 0.7708(5) 1.2956(5) 0.14(5) Uiso 0.210(5) 1 d G . P A -2
C92_2 C 0.7322(5) 0.7305(5) 1.3235(4) 0.071(13) Uiso 0.210(5) 1 d G . P A -2
C93_2 C 0.7196(5) 0.6601(5) 1.3027(4) 0.038(7) Uiso 0.210(5) 1 d G . P A -2
C94_2 C 0.7639(5) 0.6297(5) 1.2568(5) 0.066(12) Uiso 0.210(5) 1 d G . P A -2
C95_2 C 0.7341(5) 0.5878(4) 1.2045(5) 0.070(12) Uiso 0.210(5) 1 d G . P A -2
C96_2 C 0.7725(5) 0.5989(4) 1.1441(5) 0.051(9) Uiso 0.210(5) 1 d G . P A -2
C97_2 C 0.8267(4) 0.6483(5) 1.1583(6) 0.067(12) Uiso 0.210(5) 1 d G . P A -2
C98_2 C 0.8203(4) 0.6673(5) 1.2281(5) 0.051(11) Uiso 0.210(5) 1 d G . P A -2
S1A S 0.0425(4) 0.5639(3) 0.6170(4) 0.0925(18) Uiso 0.5 1 d G . P B 1
S2A S 0.1279(4) 0.4308(3) 0.6178(4) 0.086(2) Uiso 0.5 1 d G . P B 1
C99A C 0.0860(3) 0.4982(3) 0.6174(3) 0.068(7) Uiso 0.5 1 d G . P B 1
S1B S 0.0234(5) 0.5445(5) 0.5795(6) 0.138(3) Uiso 0.5 1 d G . P C 2
S2B S 0.1387(4) 0.4510(4) 0.6355(4) 0.103(3) Uiso 0.5 1 d G . P C 2
C99B C 0.0812(4) 0.4977(4) 0.6064(4) 0.094(11) Uiso 0.5 1 d G . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 1.503(7) . ?
C1 C18 1.534(8) . ?
C1 C2 1.537(7) . ?
C1 C1 1.634(11) 7_575 ?
C2 C3 1.365(8) . ?
C2 C20 1.432(8) . ?
C3 C4 1.448(8) . ?
C3 C3 1.474(12) 7_575 ?
C4 C22 1.405(10) . ?
C4 C5 1.438(9) . ?
C5 C6 1.392(13) . ?
C5 C4 1.438(9) 7_575 ?
C6 C7 1.444(10) 7_575 ?
C6 C7 1.444(10) . ?
C7 C23 1.409(11) . ?
C7 C8 1.437(11) . ?
C8 C9 1.409(12) . ?
C8 C8 1.439(16) 7_575 ?
C9 C10 1.435(12) . ?
C9 C25 1.453(11) . ?
C10 C10 1.372(15) 7_575 ?
C10 C11 1.475(11) . ?
C11 C12 1.381(12) . ?
C11 C26 1.466(11) . ?
C12 C13 1.442(11) . ?
C12 C12 1.446(17) 7_575 ?
C13 C28 1.388(11) . ?
C13 C14 1.456(10) . ?
C14 C15 1.409(15) . ?
C14 C13 1.456(10) 7_575 ?
C15 C16 1.456(9) 7_575 ?
C15 C16 1.456(9) . ?
C16 C29 1.404(10) . ?
C16 C17 1.426(9) . ?
C17 C18 1.361(9) . ?
C17 C17 1.482(13) 7_575 ?
C18 C19 1.451(8) . ?
C19 C30 1.383(9) . ?
C19 C20 1.440(9) . ?
C20 C21 1.405(8) . ?
C21 C22 1.419(11) . ?
C21 C32 1.421(10) . ?
C22 C23 1.459(10) . ?
C23 C24 1.432(12) . ?
C24 C25 1.378(11) . ?
C24 C32 1.464(10) . ?
C25 C26 1.454(12) . ?
C26 C27 1.385(10) . ?
C27 C28 1.456(12) . ?
C27 C31 1.476(11) . ?
C28 C29 1.454(10) . ?
C29 C30 1.442(11) . ?
C30 C31 1.465(10) . ?
C31 C32 1.365(12) . ?
C33 N1 1.490(7) . ?
C33 C33 1.551(11) 7_575 ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 N1 1.484(7) . ?
C34 C34 1.544(11) 7_575 ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 O2 1.261(7) . ?
C35 O1 1.268(7) . ?
C35 C36 1.499(9) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 O4 1.268(7) . ?
C37 O3 1.274(7) . ?
C37 C38 1.501(9) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
N1 Rh1 2.492(5) . ?
O1 Rh1 2.026(4) . ?
O2 Rh1 2.045(4) 5_567 ?
O3 Rh1 2.037(4) . ?
O4 Rh1 2.031(4) 5_567 ?
Rh1 O4 2.031(5) 5_567 ?
Rh1 O2 2.045(4) 5_567 ?
Rh1 Rh1 2.4135(9) 5_567 ?
C39_1 C47_1 1.3976 . ?
C39_1 C43_1 1.4372 . ?
C39_1 C40_1 1.4681 . ?
C40_1 C50_1 1.3843 . ?
C40_1 C41_1 1.4538 . ?
C41_1 C53_1 1.3633 . ?
C41_1 C42_1 1.4815 . ?
C42_1 C56_1 1.3895 . ?
C42_1 C43_1 1.4430 . ?
C43_1 C44_1 1.3802 . ?
C44_1 C58_1 1.4492 . ?
C44_1 C45_1 1.4580 . ?
C45_1 C46_1 1.4035 . ?
C45_1 C60_1 1.4401 . ?
C46_1 C63_1 1.4391 . ?
C46_1 C47_1 1.4495 . ?
C47_1 C48_1 1.4195 . ?
C48_1 C49_1 1.4120 . ?
C48_1 C64_1 1.4441 . ?
C49_1 C50_1 1.4441 . ?
C49_1 C67_1 1.4572 . ?
C50_1 C51_1 1.4610 . ?
C51_1 C52_1 1.3966 . ?
C51_1 C68_1 1.4469 . ?
C52_1 C71_1 1.4476 . ?
C52_1 C53_1 1.4482 . ?
C53_1 C54_1 1.4465 . ?
C54_1 C55_1 1.3786 . ?
C54_1 C72_1 1.4421 . ?
C55_1 C56_1 1.4463 . ?
C55_1 C75_1 1.4646 . ?
C56_1 C57_1 1.5338 . ?
C57_1 C76_1 1.3523 . ?
C57_1 C58_1 1.4056 . ?
C58_1 C59_1 1.4420 . ?
C59_1 C78_1 1.3799 . ?
C59_1 C60_1 1.4653 . ?
C60_1 C61_1 1.3863 . ?
C61_1 C80_1 1.4415 . ?
C61_1 C62_1 1.4565 . ?
C62_1 C63_1 1.3705 . ?
C62_1 C82_1 1.4620 . ?
C63_1 C64_1 1.4547 . ?
C64_1 C65_1 1.3960 . ?
C65_1 C83_1 1.4376 . ?
C65_1 C66_1 1.4512 . ?
C66_1 C67_1 1.3884 . ?
C66_1 C85_1 1.4591 . ?
C67_1 C68_1 1.4450 . ?
C68_1 C69_1 1.3889 . ?
C69_1 C70_1 1.4430 . ?
C69_1 C86_1 1.4748 . ?
C70_1 C71_1 1.3934 . ?
C70_1 C88_1 1.4539 . ?
C71_1 C72_1 1.4404 . ?
C72_1 C73_1 1.4044 . ?
C73_1 C74_1 1.4418 . ?
C73_1 C89_1 1.4520 . ?
C74_1 C75_1 1.3812 . ?
C74_1 C91_1 1.4548 . ?
C75_1 C76_1 1.4632 . ?
C76_1 C77_1 1.4043 . ?
C77_1 C92_1 1.4439 . ?
C77_1 C78_1 1.4589 . ?
C78_1 C79_1 1.4665 . ?
C79_1 C80_1 1.3916 . ?
C79_1 C93_1 1.4297 . ?
C80_1 C81_1 1.4588 . ?
C81_1 C95_1 1.3946 . ?
C81_1 C82_1 1.4458 . ?
C82_1 C83_1 1.4023 . ?
C83_1 C84_1 1.4587 . ?
C84_1 C96_1 1.3829 . ?
C84_1 C85_1 1.4619 . ?
C85_1 C86_1 1.3733 . ?
C86_1 C87_1 1.4440 . ?
C87_1 C97_1 1.3895 . ?
C87_1 C88_1 1.4647 . ?
C88_1 C89_1 1.3860 . ?
C89_1 C90_1 1.4315 . ?
C90_1 C98_1 1.3932 . ?
C90_1 C91_1 1.4630 . ?
C91_1 C92_1 1.3810 . ?
C92_1 C93_1 1.4700 . ?
C93_1 C94_1 1.3880 . ?
C94_1 C98_1 1.4379 . ?
C94_1 C95_1 1.4518 . ?
C95_1 C96_1 1.4326 . ?
C96_1 C97_1 1.4582 . ?
C97_1 C98_1 1.4477 . ?
C39_2 C47_2 1.3974 . ?
C39_2 C43_2 1.4373 . ?
C39_2 C40_2 1.4682 . ?
C40_2 C50_2 1.3845 . ?
C40_2 C41_2 1.4538 . ?
C41_2 C53_2 1.3632 . ?
C41_2 C42_2 1.4816 . ?
C42_2 C56_2 1.3894 . ?
C42_2 C43_2 1.4432 . ?
C43_2 C44_2 1.3800 . ?
C44_2 C58_2 1.4493 . ?
C44_2 C45_2 1.4583 . ?
C45_2 C46_2 1.4167 . ?
C45_2 C60_2 1.4400 . ?
C46_2 C63_2 1.3935 . ?
C46_2 C47_2 1.4805 . ?
C47_2 C48_2 1.4588 . ?
C48_2 C64_2 1.3747 . ?
C48_2 C49_2 1.4409 . ?
C49_2 C50_2 1.4442 . ?
C49_2 C67_2 1.4814 . ?
C50_2 C51_2 1.4609 . ?
C51_2 C52_2 1.3967 . ?
C51_2 C68_2 1.4472 . ?
C52_2 C71_2 1.4472 . ?
C52_2 C53_2 1.4480 . ?
C53_2 C54_2 1.4465 . ?
C54_2 C55_2 1.3785 . ?
C54_2 C72_2 1.4423 . ?
C55_2 C56_2 1.4464 . ?
C55_2 C75_2 1.4646 . ?
C56_2 C57_2 1.4554 . ?
C57_2 C58_2 1.3943 . ?
C57_2 C76_2 1.4379 . ?
C58_2 C59_2 1.4655 . ?
C59_2 C78_2 1.3747 . ?
C59_2 C60_2 1.4473 . ?
C60_2 C61_2 1.3865 . ?
C61_2 C80_2 1.4418 . ?
C61_2 C62_2 1.4563 . ?
C62_2 C63_2 1.3704 . ?
C62_2 C82_2 1.4622 . ?
C63_2 C64_2 1.4547 . ?
C64_2 C65_2 1.3960 . ?
C65_2 C83_2 1.4378 . ?
C65_2 C66_2 1.4508 . ?
C66_2 C67_2 1.3506 . ?
C66_2 C85_2 1.4593 . ?
C67_2 C68_2 1.4630 . ?
C68_2 C69_2 1.3801 . ?
C69_2 C70_2 1.4290 . ?
C69_2 C86_2 1.4998 . ?
C70_2 C71_2 1.3935 . ?
C70_2 C88_2 1.4540 . ?
C71_2 C72_2 1.4406 . ?
C72_2 C73_2 1.4041 . ?
C73_2 C89_2 1.3856 . ?
C73_2 C74_2 1.4420 . ?
C74_2 C91_2 1.3640 . ?
C74_2 C75_2 1.3811 . ?
C75_2 C76_2 1.4632 . ?
C76_2 C77_2 1.3070 . ?
C77_2 C92_2 1.5061 . ?
C77_2 C78_2 1.5069 . ?
C78_2 C79_2 1.4665 . ?
C79_2 C80_2 1.3913 . ?
C79_2 C93_2 1.4295 . ?
C80_2 C81_2 1.4592 . ?
C81_2 C95_2 1.3945 . ?
C81_2 C82_2 1.4458 . ?
C82_2 C83_2 1.4022 . ?
C83_2 C84_2 1.4588 . ?
C84_2 C96_2 1.3827 . ?
C84_2 C85_2 1.4622 . ?
C85_2 C86_2 1.3731 . ?
C86_2 C87_2 1.4444 . ?
C87_2 C97_2 1.3894 . ?
C87_2 C88_2 1.4644 . ?
C88_2 C89_2 1.4058 . ?
C89_2 C90_2 1.4782 . ?
C90_2 C98_2 1.3930 . ?
C90_2 C91_2 1.5139 . ?
C91_2 C92_2 1.4193 . ?
C92_2 C93_2 1.4699 . ?
C93_2 C94_2 1.3886 . ?
C94_2 C98_2 1.4375 . ?
C94_2 C95_2 1.4515 . ?
C95_2 C96_2 1.4329 . ?
C96_2 C97_2 1.4582 . ?
C97_2 C98_2 1.4482 . ?
S1A C99A 1.5457 . ?
S2A C99A 1.5560 . ?
S1B C99B 1.5457 . ?
S2B C99B 1.5560 . ?

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
N1 C1 C18 110.3(4) . . ?
N1 C1 C2 110.2(4) . . ?
C18 C1 C2 100.1(4) . . ?
N1 C1 C1 109.3(3) . 7_575 ?
C18 C1 C1 113.2(3) . 7_575 ?
C2 C1 C1 113.4(3) . 7_575 ?
C3 C2 C20 119.0(5) . . ?
C3 C2 C1 124.9(5) . . ?
C20 C2 C1 109.8(5) . . ?
C2 C3 C4 120.6(6) . . ?
C2 C3 C3 120.4(3) . 7_575 ?
C4 C3 C3 107.3(4) . 7_575 ?
C22 C4 C5 120.1(6) . . ?
C22 C4 C3 119.5(6) . . ?
C5 C4 C3 108.4(6) . . ?
C6 C5 C4 120.5(5) . . ?
C6 C5 C4 120.5(5) . 7_575 ?
C4 C5 C4 108.5(8) . 7_575 ?
C5 C6 C7 120.0(5) . 7_575 ?
C5 C6 C7 120.0(5) . . ?
C7 C6 C7 107.0(9) 7_575 . ?
C23 C7 C8 119.7(8) . . ?
C23 C7 C6 120.4(7) . . ?
C8 C7 C6 108.6(7) . . ?
C9 C8 C7 120.0(7) . . ?
C9 C8 C8 119.7(5) . 7_575 ?
C7 C8 C8 107.9(5) . 7_575 ?
C8 C9 C10 119.6(8) . . ?
C8 C9 C25 119.6(7) . . ?
C10 C9 C25 109.3(7) . . ?
C10 C10 C9 120.6(5) 7_575 . ?
C10 C10 C11 119.5(4) 7_575 . ?
C9 C10 C11 108.3(7) . . ?
C12 C11 C26 120.4(7) . . ?
C12 C11 C10 120.6(7) . . ?
C26 C11 C10 106.4(7) . . ?
C11 C12 C13 120.0(7) . . ?
C11 C12 C12 119.9(5) . 7_575 ?
C13 C12 C12 108.3(5) . 7_575 ?
C28 C13 C12 120.3(8) . . ?
C28 C13 C14 120.3(7) . . ?
C12 C13 C14 107.8(7) . . ?
C15 C14 C13 119.5(5) . . ?
C15 C14 C13 119.5(5) . 7_575 ?
C13 C14 C13 107.7(10) . 7_575 ?
C14 C15 C16 120.7(5) . 7_575 ?
C14 C15 C16 120.7(5) . . ?
C16 C15 C16 106.8(8) 7_575 . ?
C29 C16 C17 120.7(6) . . ?
C29 C16 C15 118.6(7) . . ?
C17 C16 C15 109.2(6) . . ?
C18 C17 C16 121.5(6) . . ?
C18 C17 C17 120.0(4) . 7_575 ?
C16 C17 C17 107.4(4) . 7_575 ?
C17 C18 C19 118.4(5) . . ?
C17 C18 C1 125.8(5) . . ?
C19 C18 C1 109.5(5) . . ?
C30 C19 C20 120.4(6) . . ?
C30 C19 C18 121.1(6) . . ?
C20 C19 C18 108.0(5) . . ?
C21 C20 C2 121.8(6) . . ?
C21 C20 C19 119.8(6) . . ?
C2 C20 C19 109.0(5) . . ?
C20 C21 C22 118.5(6) . . ?
C20 C21 C32 120.3(7) . . ?
C22 C21 C32 108.6(6) . . ?
C4 C22 C21 120.4(6) . . ?
C4 C22 C23 119.9(7) . . ?
C21 C22 C23 108.1(7) . . ?
C7 C23 C24 119.8(7) . . ?
C7 C23 C22 119.1(7) . . ?
C24 C23 C22 107.9(7) . . ?
C25 C24 C23 121.2(7) . . ?
C25 C24 C32 120.6(8) . . ?
C23 C24 C32 106.9(6) . . ?
C24 C25 C9 119.7(8) . . ?
C24 C25 C26 120.2(7) . . ?
C9 C25 C26 107.1(7) . . ?
C27 C26 C25 119.5(7) . . ?
C27 C26 C11 119.2(8) . . ?
C25 C26 C11 109.0(7) . . ?
C26 C27 C28 120.3(7) . . ?
C26 C27 C31 120.1(8) . . ?
C28 C27 C31 108.1(6) . . ?
C13 C28 C29 119.9(7) . . ?
C13 C28 C27 119.8(7) . . ?
C29 C28 C27 108.0(7) . . ?
C16 C29 C30 118.3(6) . . ?
C16 C29 C28 121.0(7) . . ?
C30 C29 C28 108.3(7) . . ?
C19 C30 C29 119.9(6) . . ?
C19 C30 C31 118.2(7) . . ?
C29 C30 C31 108.9(6) . . ?
C32 C31 C30 121.8(7) . . ?
C32 C31 C27 120.1(7) . . ?
C30 C31 C27 106.6(7) . . ?
C31 C32 C21 119.6(6) . . ?
C31 C32 C24 119.6(7) . . ?
C21 C32 C24 108.5(7) . . ?
N1 C33 C33 111.2(3) . 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 111.4(3) . 7_575 ?
N1 C34 H34A 109.3 . . ?
C34 C34 H34A 109.3 7_575 . ?
N1 C34 H34B 109.3 . . ?
C34 C34 H34B 109.3 7_575 . ?
H34A C34 H34B 108.0 . . ?
O2 C35 O1 125.8(6) . . ?
O2 C35 C36 118.4(6) . . ?
O1 C35 C36 115.8(6) . . ?
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 125.4(6) . . ?
O4 C37 C38 119.0(6) . . ?
O3 C37 C38 115.6(5) . . ?
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 . . ?
C34 N1 C33 107.9(4) . . ?
C34 N1 C1 108.5(4) . . ?
C33 N1 C1 108.4(4) . . ?
C34 N1 Rh1 103.0(3) . . ?
C33 N1 Rh1 107.1(3) . . ?
C1 N1 Rh1 121.3(3) . . ?
C35 O1 Rh1 120.3(4) . . ?
C35 O2 Rh1 118.3(4) . 5_567 ?
C37 O3 Rh1 120.0(4) . . ?
C37 O4 Rh1 118.7(4) . 5_567 ?
O1 Rh1 O4 86.44(19) . 5_567 ?
O1 Rh1 O3 94.64(19) . . ?
O4 Rh1 O3 175.43(16) 5_567 . ?
O1 Rh1 O2 175.01(17) . 5_567 ?
O4 Rh1 O2 91.55(19) 5_567 5_567 ?
O3 Rh1 O2 87.02(18) . 5_567 ?
O1 Rh1 Rh1 87.19(12) . 5_567 ?
O4 Rh1 Rh1 88.62(12) 5_567 5_567 ?
O3 Rh1 Rh1 87.01(12) . 5_567 ?
O2 Rh1 Rh1 88.20(13) 5_567 5_567 ?
O1 Rh1 N1 92.25(16) . . ?
O4 Rh1 N1 92.04(16) 5_567 . ?
O3 Rh1 N1 92.35(16) . . ?
O2 Rh1 N1 92.38(16) 5_567 . ?
Rh1 Rh1 N1 179.11(10) 5_567 . ?
C47_1 C39_1 C43_1 121.1 . . ?
C47_1 C39_1 C40_1 118.1 . . ?
C43_1 C39_1 C40_1 107.5 . . ?
C50_1 C40_1 C41_1 119.8 . . ?
C50_1 C40_1 C39_1 120.2 . . ?
C41_1 C40_1 C39_1 108.6 . . ?
C53_1 C41_1 C40_1 121.3 . . ?
C53_1 C41_1 C42_1 119.5 . . ?
C40_1 C41_1 C42_1 106.7 . . ?
C56_1 C42_1 C43_1 120.6 . . ?
C56_1 C42_1 C41_1 118.6 . . ?
C43_1 C42_1 C41_1 107.9 . . ?
C44_1 C43_1 C39_1 119.6 . . ?
C44_1 C43_1 C42_1 119.9 . . ?
C39_1 C43_1 C42_1 109.2 . . ?
C43_1 C44_1 C58_1 120.3 . . ?
C43_1 C44_1 C45_1 120.9 . . ?
C58_1 C44_1 C45_1 107.4 . . ?
C46_1 C45_1 C60_1 119.8 . . ?
C46_1 C45_1 C44_1 119.0 . . ?
C60_1 C45_1 C44_1 108.8 . . ?
C45_1 C46_1 C63_1 119.3 . . ?
C45_1 C46_1 C47_1 120.3 . . ?
C63_1 C46_1 C47_1 108.3 . . ?
C39_1 C47_1 C48_1 122.1 . . ?
C39_1 C47_1 C46_1 119.1 . . ?
C48_1 C47_1 C46_1 107.8 . . ?
C49_1 C48_1 C47_1 119.3 . . ?
C49_1 C48_1 C64_1 119.1 . . ?
C47_1 C48_1 C64_1 109.0 . . ?
C48_1 C49_1 C50_1 119.8 . . ?
C48_1 C49_1 C67_1 120.3 . . ?
C50_1 C49_1 C67_1 107.8 . . ?
C40_1 C50_1 C49_1 120.4 . . ?
C40_1 C50_1 C51_1 119.2 . . ?
C49_1 C50_1 C51_1 107.9 . . ?
C52_1 C51_1 C68_1 120.5 . . ?
C52_1 C51_1 C50_1 120.0 . . ?
C68_1 C51_1 C50_1 108.0 . . ?
C51_1 C52_1 C71_1 119.2 . . ?
C51_1 C52_1 C53_1 119.9 . . ?
C71_1 C52_1 C53_1 108.6 . . ?
C41_1 C53_1 C54_1 121.6 . . ?
C41_1 C53_1 C52_1 119.7 . . ?
C54_1 C53_1 C52_1 107.1 . . ?
C55_1 C54_1 C72_1 120.2 . . ?
C55_1 C54_1 C53_1 119.3 . . ?
C72_1 C54_1 C53_1 108.5 . . ?
C54_1 C55_1 C56_1 120.4 . . ?
C54_1 C55_1 C75_1 119.9 . . ?
C56_1 C55_1 C75_1 108.5 . . ?
C42_1 C56_1 C55_1 120.6 . . ?
C42_1 C56_1 C57_1 121.5 . . ?
C55_1 C56_1 C57_1 105.4 . . ?
C76_1 C57_1 C58_1 126.6 . . ?
C76_1 C57_1 C56_1 108.5 . . ?
C58_1 C57_1 C56_1 113.8 . . ?
C57_1 C58_1 C59_1 115.1 . . ?
C57_1 C58_1 C44_1 123.7 . . ?
C59_1 C58_1 C44_1 108.3 . . ?
C78_1 C59_1 C58_1 121.1 . . ?
C78_1 C59_1 C60_1 119.9 . . ?
C58_1 C59_1 C60_1 108.2 . . ?
C61_1 C60_1 C45_1 120.8 . . ?
C61_1 C60_1 C59_1 119.7 . . ?
C45_1 C60_1 C59_1 107.2 . . ?
C60_1 C61_1 C80_1 120.1 . . ?
C60_1 C61_1 C62_1 118.9 . . ?
C80_1 C61_1 C62_1 109.2 . . ?
C63_1 C62_1 C61_1 120.6 . . ?
C63_1 C62_1 C82_1 120.5 . . ?
C61_1 C62_1 C82_1 106.5 . . ?
C62_1 C63_1 C46_1 120.7 . . ?
C62_1 C63_1 C64_1 119.8 . . ?
C46_1 C63_1 C64_1 107.5 . . ?
C65_1 C64_1 C48_1 120.7 . . ?
C65_1 C64_1 C63_1 120.3 . . ?
C48_1 C64_1 C63_1 107.4 . . ?
C64_1 C65_1 C83_1 120.0 . . ?
C64_1 C65_1 C66_1 119.8 . . ?
C83_1 C65_1 C66_1 108.1 . . ?
C67_1 C66_1 C65_1 120.4 . . ?
C67_1 C66_1 C85_1 119.7 . . ?
C65_1 C66_1 C85_1 108.4 . . ?
C66_1 C67_1 C68_1 120.3 . . ?
C66_1 C67_1 C49_1 119.6 . . ?
C68_1 C67_1 C49_1 108.3 . . ?
C69_1 C68_1 C67_1 120.4 . . ?
C69_1 C68_1 C51_1 119.7 . . ?
C67_1 C68_1 C51_1 108.0 . . ?
C68_1 C69_1 C70_1 120.4 . . ?
C68_1 C69_1 C86_1 119.2 . . ?
C70_1 C69_1 C86_1 107.7 . . ?
C71_1 C70_1 C69_1 119.7 . . ?
C71_1 C70_1 C88_1 120.0 . . ?
C69_1 C70_1 C88_1 109.1 . . ?
C70_1 C71_1 C72_1 120.1 . . ?
C70_1 C71_1 C52_1 120.5 . . ?
C72_1 C71_1 C52_1 107.5 . . ?
C73_1 C72_1 C71_1 120.1 . . ?
C73_1 C72_1 C54_1 120.1 . . ?
C71_1 C72_1 C54_1 108.3 . . ?
C72_1 C73_1 C74_1 119.4 . . ?
C72_1 C73_1 C89_1 119.6 . . ?
C74_1 C73_1 C89_1 107.8 . . ?
C75_1 C74_1 C73_1 120.6 . . ?
C75_1 C74_1 C91_1 119.7 . . ?
C73_1 C74_1 C91_1 108.0 . . ?
C74_1 C75_1 C76_1 120.5 . . ?
C74_1 C75_1 C55_1 119.7 . . ?
C76_1 C75_1 C55_1 106.8 . . ?
C57_1 C76_1 C77_1 118.1 . . ?
C57_1 C76_1 C75_1 110.8 . . ?
C77_1 C76_1 C75_1 119.1 . . ?
C76_1 C77_1 C92_1 119.7 . . ?
C76_1 C77_1 C78_1 119.1 . . ?
C92_1 C77_1 C78_1 109.1 . . ?
C59_1 C78_1 C77_1 120.0 . . ?
C59_1 C78_1 C79_1 120.5 . . ?
C77_1 C78_1 C79_1 106.7 . . ?
C80_1 C79_1 C93_1 121.4 . . ?
C80_1 C79_1 C78_1 118.6 . . ?
C93_1 C79_1 C78_1 108.6 . . ?
C79_1 C80_1 C61_1 121.1 . . ?
C79_1 C80_1 C81_1 118.6 . . ?
C61_1 C80_1 C81_1 107.7 . . ?
C95_1 C81_1 C82_1 120.8 . . ?
C95_1 C81_1 C80_1 119.6 . . ?
C82_1 C81_1 C80_1 107.8 . . ?
C83_1 C82_1 C81_1 119.8 . . ?
C83_1 C82_1 C62_1 119.4 . . ?
C81_1 C82_1 C62_1 108.8 . . ?
C82_1 C83_1 C65_1 120.0 . . ?
C82_1 C83_1 C84_1 118.8 . . ?
C65_1 C83_1 C84_1 108.4 . . ?
C96_1 C84_1 C83_1 120.5 . . ?
C96_1 C84_1 C85_1 120.0 . . ?
C83_1 C84_1 C85_1 107.8 . . ?
C86_1 C85_1 C66_1 120.4 . . ?
C86_1 C85_1 C84_1 119.7 . . ?
C66_1 C85_1 C84_1 107.2 . . ?
C85_1 C86_1 C87_1 120.9 . . ?
C85_1 C86_1 C69_1 120.0 . . ?
C87_1 C86_1 C69_1 107.3 . . ?
C97_1 C87_1 C86_1 119.7 . . ?
C97_1 C87_1 C88_1 119.8 . . ?
C86_1 C87_1 C88_1 109.0 . . ?
C89_1 C88_1 C70_1 120.0 . . ?
C89_1 C88_1 C87_1 119.5 . . ?
C70_1 C88_1 C87_1 106.9 . . ?
C88_1 C89_1 C90_1 120.2 . . ?
C88_1 C89_1 C73_1 120.1 . . ?
C90_1 C89_1 C73_1 109.0 . . ?
C98_1 C90_1 C89_1 121.0 . . ?
C98_1 C90_1 C91_1 118.8 . . ?
C89_1 C90_1 C91_1 107.4 . . ?
C92_1 C91_1 C74_1 120.1 . . ?
C92_1 C91_1 C90_1 120.8 . . ?
C74_1 C91_1 C90_1 107.9 . . ?
C91_1 C92_1 C77_1 120.7 . . ?
C91_1 C92_1 C93_1 119.6 . . ?
C77_1 C92_1 C93_1 107.0 . . ?
C94_1 C93_1 C79_1 120.8 . . ?
C94_1 C93_1 C92_1 119.5 . . ?
C79_1 C93_1 C92_1 108.5 . . ?
C93_1 C94_1 C98_1 120.5 . . ?
C93_1 C94_1 C95_1 118.5 . . ?
C98_1 C94_1 C95_1 107.9 . . ?
C81_1 C95_1 C96_1 119.2 . . ?
C81_1 C95_1 C94_1 121.1 . . ?
C96_1 C95_1 C94_1 108.2 . . ?
C84_1 C96_1 C95_1 120.9 . . ?
C84_1 C96_1 C97_1 119.8 . . ?
C95_1 C96_1 C97_1 108.1 . . ?
C87_1 C97_1 C98_1 120.3 . . ?
C87_1 C97_1 C96_1 120.0 . . ?
C98_1 C97_1 C96_1 107.4 . . ?
C90_1 C98_1 C94_1 120.8 . . ?
C90_1 C98_1 C97_1 119.2 . . ?
C94_1 C98_1 C97_1 108.3 . . ?
C47_2 C39_2 C43_2 121.1 . . ?
C47_2 C39_2 C40_2 118.1 . . ?
C43_2 C39_2 C40_2 107.5 . . ?
C50_2 C40_2 C41_2 119.8 . . ?
C50_2 C40_2 C39_2 120.2 . . ?
C41_2 C40_2 C39_2 108.7 . . ?
C53_2 C41_2 C40_2 121.3 . . ?
C53_2 C41_2 C42_2 119.5 . . ?
C40_2 C41_2 C42_2 106.7 . . ?
C56_2 C42_2 C43_2 120.6 . . ?
C56_2 C42_2 C41_2 118.6 . . ?
C43_2 C42_2 C41_2 107.9 . . ?
C44_2 C43_2 C39_2 119.5 . . ?
C44_2 C43_2 C42_2 119.9 . . ?
C39_2 C43_2 C42_2 109.2 . . ?
C43_2 C44_2 C58_2 120.3 . . ?
C43_2 C44_2 C45_2 120.9 . . ?
C58_2 C44_2 C45_2 107.4 . . ?
C46_2 C45_2 C60_2 118.0 . . ?
C46_2 C45_2 C44_2 120.7 . . ?
C60_2 C45_2 C44_2 108.8 . . ?
C63_2 C46_2 C45_2 121.6 . . ?
C63_2 C46_2 C47_2 109.1 . . ?
C45_2 C46_2 C47_2 117.3 . . ?
C39_2 C47_2 C48_2 124.2 . . ?
C39_2 C47_2 C46_2 120.4 . . ?
C48_2 C47_2 C46_2 104.0 . . ?
C64_2 C48_2 C49_2 121.9 . . ?
C64_2 C48_2 C47_2 110.7 . . ?
C49_2 C48_2 C47_2 114.9 . . ?
C48_2 C49_2 C50_2 122.1 . . ?
C48_2 C49_2 C67_2 116.6 . . ?
C50_2 C49_2 C67_2 108.9 . . ?
C40_2 C50_2 C49_2 120.4 . . ?
C40_2 C50_2 C51_2 119.2 . . ?
C49_2 C50_2 C51_2 107.9 . . ?
C52_2 C51_2 C68_2 120.5 . . ?
C52_2 C51_2 C50_2 120.1 . . ?
C68_2 C51_2 C50_2 108.0 . . ?
C51_2 C52_2 C71_2 119.2 . . ?
C51_2 C52_2 C53_2 119.9 . . ?
C71_2 C52_2 C53_2 108.6 . . ?
C41_2 C53_2 C54_2 121.7 . . ?
C41_2 C53_2 C52_2 119.7 . . ?
C54_2 C53_2 C52_2 107.1 . . ?
C55_2 C54_2 C72_2 120.2 . . ?
C55_2 C54_2 C53_2 119.2 . . ?
C72_2 C54_2 C53_2 108.5 . . ?
C54_2 C55_2 C56_2 120.4 . . ?
C54_2 C55_2 C75_2 119.9 . . ?
C56_2 C55_2 C75_2 108.5 . . ?
C42_2 C56_2 C55_2 120.6 . . ?
C42_2 C56_2 C57_2 119.6 . . ?
C55_2 C56_2 C57_2 107.8 . . ?
C58_2 C57_2 C76_2 120.9 . . ?
C58_2 C57_2 C56_2 119.6 . . ?
C76_2 C57_2 C56_2 108.3 . . ?
C57_2 C58_2 C44_2 120.0 . . ?
C57_2 C58_2 C59_2 119.3 . . ?
C44_2 C58_2 C59_2 107.9 . . ?
C78_2 C59_2 C60_2 121.6 . . ?
C78_2 C59_2 C58_2 119.8 . . ?
C60_2 C59_2 C58_2 108.0 . . ?
C61_2 C60_2 C45_2 120.7 . . ?
C61_2 C60_2 C59_2 119.0 . . ?
C45_2 C60_2 C59_2 107.9 . . ?
C60_2 C61_2 C80_2 120.1 . . ?
C60_2 C61_2 C62_2 118.9 . . ?
C80_2 C61_2 C62_2 109.2 . . ?
C63_2 C62_2 C61_2 120.6 . . ?
C63_2 C62_2 C82_2 120.5 . . ?
C61_2 C62_2 C82_2 106.5 . . ?
C62_2 C63_2 C46_2 120.2 . . ?
C62_2 C63_2 C64_2 119.8 . . ?
C46_2 C63_2 C64_2 108.2 . . ?
C48_2 C64_2 C65_2 120.4 . . ?
C48_2 C64_2 C63_2 108.0 . . ?
C65_2 C64_2 C63_2 120.3 . . ?
C64_2 C65_2 C83_2 119.9 . . ?
C64_2 C65_2 C66_2 119.8 . . ?
C83_2 C65_2 C66_2 108.1 . . ?
C67_2 C66_2 C65_2 120.7 . . ?
C67_2 C66_2 C85_2 119.6 . . ?
C65_2 C66_2 C85_2 108.4 . . ?
C66_2 C67_2 C68_2 121.7 . . ?
C66_2 C67_2 C49_2 120.5 . . ?
C68_2 C67_2 C49_2 106.0 . . ?
C69_2 C68_2 C51_2 118.7 . . ?
C69_2 C68_2 C67_2 120.1 . . ?
C51_2 C68_2 C67_2 109.2 . . ?
C68_2 C69_2 C70_2 122.1 . . ?
C68_2 C69_2 C86_2 118.1 . . ?
C70_2 C69_2 C86_2 107.1 . . ?
C71_2 C70_2 C69_2 118.9 . . ?
C71_2 C70_2 C88_2 120.1 . . ?
C69_2 C70_2 C88_2 109.9 . . ?
C70_2 C71_2 C72_2 120.0 . . ?
C70_2 C71_2 C52_2 120.5 . . ?
C72_2 C71_2 C52_2 107.5 . . ?
C73_2 C72_2 C71_2 120.1 . . ?
C73_2 C72_2 C54_2 120.1 . . ?
C71_2 C72_2 C54_2 108.3 . . ?
C89_2 C73_2 C72_2 118.9 . . ?
C89_2 C73_2 C74_2 108.8 . . ?
C72_2 C73_2 C74_2 119.4 . . ?
C91_2 C74_2 C75_2 119.2 . . ?
C91_2 C74_2 C73_2 108.9 . . ?
C75_2 C74_2 C73_2 120.6 . . ?
C74_2 C75_2 C76_2 120.5 . . ?
C74_2 C75_2 C55_2 119.7 . . ?
C76_2 C75_2 C55_2 106.8 . . ?
C77_2 C76_2 C57_2 119.8 . . ?
C77_2 C76_2 C75_2 119.7 . . ?
C57_2 C76_2 C75_2 108.6 . . ?
C76_2 C77_2 C92_2 122.1 . . ?
C76_2 C77_2 C78_2 122.4 . . ?
C92_2 C77_2 C78_2 103.4 . . ?
C59_2 C78_2 C79_2 119.6 . . ?
C59_2 C78_2 C77_2 117.7 . . ?
C79_2 C78_2 C77_2 109.8 . . ?
C80_2 C79_2 C93_2 121.4 . . ?
C80_2 C79_2 C78_2 118.6 . . ?
C93_2 C79_2 C78_2 108.6 . . ?
C79_2 C80_2 C61_2 121.2 . . ?
C79_2 C80_2 C81_2 118.6 . . ?
C61_2 C80_2 C81_2 107.7 . . ?
C95_2 C81_2 C82_2 120.9 . . ?
C95_2 C81_2 C80_2 119.6 . . ?
C82_2 C81_2 C80_2 107.8 . . ?
C83_2 C82_2 C81_2 119.8 . . ?
C83_2 C82_2 C62_2 119.4 . . ?
C81_2 C82_2 C62_2 108.8 . . ?
C82_2 C83_2 C65_2 120.0 . . ?
C82_2 C83_2 C84_2 118.8 . . ?
C65_2 C83_2 C84_2 108.4 . . ?
C96_2 C84_2 C83_2 120.5 . . ?
C96_2 C84_2 C85_2 120.0 . . ?
C83_2 C84_2 C85_2 107.8 . . ?
C86_2 C85_2 C66_2 120.3 . . ?
C86_2 C85_2 C84_2 119.7 . . ?
C66_2 C85_2 C84_2 107.2 . . ?
C85_2 C86_2 C87_2 120.9 . . ?
C85_2 C86_2 C69_2 120.2 . . ?
C87_2 C86_2 C69_2 107.0 . . ?
C97_2 C87_2 C86_2 119.7 . . ?
C97_2 C87_2 C88_2 119.8 . . ?
C86_2 C87_2 C88_2 109.0 . . ?
C89_2 C88_2 C70_2 117.3 . . ?
C89_2 C88_2 C87_2 122.1 . . ?
C70_2 C88_2 C87_2 106.9 . . ?
C73_2 C89_2 C88_2 123.5 . . ?
C73_2 C89_2 C90_2 110.1 . . ?
C88_2 C89_2 C90_2 115.7 . . ?
C98_2 C90_2 C89_2 122.8 . . ?
C98_2 C90_2 C91_2 121.4 . . ?
C89_2 C90_2 C91_2 102.3 . . ?
C74_2 C91_2 C92_2 124.0 . . ?
C74_2 C91_2 C90_2 110.0 . . ?
C92_2 C91_2 C90_2 114.9 . . ?
C91_2 C92_2 C93_2 122.7 . . ?
C91_2 C92_2 C77_2 114.4 . . ?
C93_2 C92_2 C77_2 109.7 . . ?
C94_2 C93_2 C79_2 120.8 . . ?
C94_2 C93_2 C92_2 119.5 . . ?
C79_2 C93_2 C92_2 108.5 . . ?
C93_2 C94_2 C98_2 120.5 . . ?
C93_2 C94_2 C95_2 118.4 . . ?
C98_2 C94_2 C95_2 108.0 . . ?
C81_2 C95_2 C96_2 119.2 . . ?
C81_2 C95_2 C94_2 121.1 . . ?
C96_2 C95_2 C94_2 108.2 . . ?
C84_2 C96_2 C95_2 120.9 . . ?
C84_2 C96_2 C97_2 119.8 . . ?
C95_2 C96_2 C97_2 108.1 . . ?
C87_2 C97_2 C98_2 120.3 . . ?
C87_2 C97_2 C96_2 120.0 . . ?
C98_2 C97_2 C96_2 107.4 . . ?
C90_2 C98_2 C94_2 120.9 . . ?
C90_2 C98_2 C97_2 119.2 . . ?
C94_2 C98_2 C97_2 108.3 . . ?
S1A C99A S2A 178.5 . . ?
S1B C99B S2B 178.5 . . ?

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
N1 C1 C2 C3 110.3(6) . . . . ?
C18 C1 C2 C3 -133.5(6) . . . . ?
C1 C1 C2 C3 -12.7(6) 7_575 . . . ?
N1 C1 C2 C20 -98.0(5) . . . . ?
C18 C1 C2 C20 18.2(6) . . . . ?
C1 C1 C2 C20 139.0(4) 7_575 . . . ?
C20 C2 C3 C4 2.7(9) . . . . ?
C1 C2 C3 C4 152.0(6) . . . . ?
C20 C2 C3 C3 -135.8(4) . . . 7_575 ?
C1 C2 C3 C3 13.5(7) . . . 7_575 ?
C2 C3 C4 C22 -0.1(9) . . . . ?
C3 C3 C4 C22 143.1(5) 7_575 . . . ?
C2 C3 C4 C5 -142.9(7) . . . . ?
C3 C3 C4 C5 0.3(6) 7_575 . . . ?
C22 C4 C5 C6 1.9(12) . . . . ?
C3 C4 C5 C6 144.4(8) . . . . ?
C22 C4 C5 C4 -143.1(6) . . . 7_575 ?
C3 C4 C5 C4 -0.5(10) . . . 7_575 ?
C4 C5 C6 C7 -138.6(7) . . . 7_575 ?
C4 C5 C6 C7 2.2(13) 7_575 . . 7_575 ?
C4 C5 C6 C7 -2.2(13) . . . . ?
C4 C5 C6 C7 138.6(7) 7_575 . . . ?
C5 C6 C7 C23 2.1(13) . . . . ?
C7 C6 C7 C23 143.4(6) 7_575 . . . ?
C5 C6 C7 C8 -141.4(8) . . . . ?
C7 C6 C7 C8 -0.1(10) 7_575 . . . ?
C23 C7 C8 C9 -1.7(10) . . . . ?
C6 C7 C8 C9 142.1(7) . . . . ?
C23 C7 C8 C8 -143.7(5) . . . 7_575 ?
C6 C7 C8 C8 0.1(6) . . . 7_575 ?
C7 C8 C9 C10 -137.8(7) . . . . ?
C8 C8 C9 C10 -0.2(7) 7_575 . . . ?
C7 C8 C9 C25 1.7(10) . . . . ?
C8 C8 C9 C25 139.3(6) 7_575 . . . ?
C8 C9 C10 C10 0.2(7) . . . 7_575 ?
C25 C9 C10 C10 -143.1(4) . . . 7_575 ?
C8 C9 C10 C11 143.1(6) . . . . ?
C25 C9 C10 C11 -0.2(8) . . . . ?
C10 C10 C11 C12 1.6(8) 7_575 . . . ?
C9 C10 C11 C12 -141.8(7) . . . . ?
C10 C10 C11 C26 143.4(4) 7_575 . . . ?
C9 C10 C11 C26 0.0(7) . . . . ?
C26 C11 C12 C13 0.5(11) . . . . ?
C10 C11 C12 C13 137.1(7) . . . . ?
C26 C11 C12 C12 -138.2(6) . . . 7_575 ?
C10 C11 C12 C12 -1.6(8) . . . 7_575 ?
C11 C12 C13 C28 -0.3(10) . . . . ?
C12 C12 C13 C28 142.6(5) 7_575 . . . ?
C11 C12 C13 C14 -143.6(8) . . . . ?
C12 C12 C13 C14 -0.7(7) 7_575 . . . ?
C28 C13 C14 C15 -1.5(13) . . . . ?
C12 C13 C14 C15 141.8(8) . . . . ?
C28 C13 C14 C13 -142.2(6) . . . 7_575 ?
C12 C13 C14 C13 1.2(11) . . . 7_575 ?
C13 C14 C15 C16 -137.0(7) . . . 7_575 ?
C13 C14 C15 C16 -0.9(13) 7_575 . . 7_575 ?
C13 C14 C15 C16 0.9(13) . . . . ?
C13 C14 C15 C16 137.0(7) 7_575 . . . ?
C14 C15 C16 C29 0.7(11) . . . . ?
C16 C15 C16 C29 143.7(6) 7_575 . . . ?
C14 C15 C16 C17 -143.0(8) . . . . ?
C16 C15 C16 C17 0.0(10) 7_575 . . . ?
C29 C16 C17 C18 0.9(10) . . . . ?
C15 C16 C17 C18 143.7(7) . . . . ?
C29 C16 C17 C17 -142.8(5) . . . 7_575 ?
C15 C16 C17 C17 0.0(6) . . . 7_575 ?
C16 C17 C18 C19 -2.7(9) . . . . ?
C17 C17 C18 C19 136.6(4) 7_575 . . . ?
C16 C17 C18 C1 -151.8(6) . . . . ?
C17 C17 C18 C1 -12.5(7) 7_575 . . . ?
N1 C1 C18 C17 -111.1(6) . . . . ?
C2 C1 C18 C17 132.8(6) . . . . ?
C1 C1 C18 C17 11.7(6) 7_575 . . . ?
N1 C1 C18 C19 97.5(5) . . . . ?
C2 C1 C18 C19 -18.6(6) . . . . ?
C1 C1 C18 C19 -139.6(4) 7_575 . . . ?
C17 C18 C19 C30 4.0(9) . . . . ?
C1 C18 C19 C30 157.7(6) . . . . ?
C17 C18 C19 C20 -140.8(6) . . . . ?
C1 C18 C19 C20 12.9(6) . . . . ?
C3 C2 C20 C21 -4.3(9) . . . . ?
C1 C2 C20 C21 -157.9(6) . . . . ?
C3 C2 C20 C19 141.9(6) . . . . ?
C1 C2 C20 C19 -11.7(6) . . . . ?
C30 C19 C20 C21 1.2(9) . . . . ?
C18 C19 C20 C21 146.3(6) . . . . ?
C30 C19 C20 C2 -145.8(6) . . . . ?
C18 C19 C20 C2 -0.7(7) . . . . ?
C2 C20 C21 C22 3.2(10) . . . . ?
C19 C20 C21 C22 -139.5(7) . . . . ?
C2 C20 C21 C32 140.7(7) . . . . ?
C19 C20 C21 C32 -1.9(9) . . . . ?
C5 C4 C22 C21 137.4(7) . . . . ?
C3 C4 C22 C21 -1.0(10) . . . . ?
C5 C4 C22 C23 -1.3(10) . . . . ?
C3 C4 C22 C23 -139.8(7) . . . . ?
C20 C21 C22 C4 -0.5(10) . . . . ?
C32 C21 C22 C4 -142.6(7) . . . . ?
C20 C21 C22 C23 142.5(6) . . . . ?
C32 C21 C22 C23 0.4(8) . . . . ?
C8 C7 C23 C24 1.6(10) . . . . ?
C6 C7 C23 C24 -137.8(8) . . . . ?
C8 C7 C23 C22 138.0(7) . . . . ?
C6 C7 C23 C22 -1.5(11) . . . . ?
C4 C22 C23 C7 1.1(11) . . . . ?
C21 C22 C23 C7 -142.1(7) . . . . ?
C4 C22 C23 C24 142.1(7) . . . . ?
C21 C22 C23 C24 -1.2(8) . . . . ?
C7 C23 C24 C25 -1.6(10) . . . . ?
C22 C23 C24 C25 -142.3(7) . . . . ?
C7 C23 C24 C32 142.0(6) . . . . ?
C22 C23 C24 C32 1.4(8) . . . . ?
C23 C24 C25 C9 1.6(11) . . . . ?
C32 C24 C25 C9 -137.1(7) . . . . ?
C23 C24 C25 C26 138.0(7) . . . . ?
C32 C24 C25 C26 -0.8(11) . . . . ?
C8 C9 C25 C24 -1.6(11) . . . . ?
C10 C9 C25 C24 141.6(7) . . . . ?
C8 C9 C25 C26 -143.0(7) . . . . ?
C10 C9 C25 C26 0.3(8) . . . . ?
C24 C25 C26 C27 0.4(11) . . . . ?
C9 C25 C26 C27 141.6(7) . . . . ?
C24 C25 C26 C11 -141.4(7) . . . . ?
C9 C25 C26 C11 -0.2(8) . . . . ?
C12 C11 C26 C27 0.2(11) . . . . ?
C10 C11 C26 C27 -141.8(7) . . . . ?
C12 C11 C26 C25 142.1(7) . . . . ?
C10 C11 C26 C25 0.1(7) . . . . ?
C25 C26 C27 C28 -138.9(7) . . . . ?
C11 C26 C27 C28 -1.0(10) . . . . ?
C25 C26 C27 C31 0.0(10) . . . . ?
C11 C26 C27 C31 138.0(7) . . . . ?
C12 C13 C28 C29 -138.3(7) . . . . ?
C14 C13 C28 C29 0.5(11) . . . . ?
C12 C13 C28 C27 -0.5(10) . . . . ?
C14 C13 C28 C27 138.3(8) . . . . ?
C26 C27 C28 C13 1.1(10) . . . . ?
C31 C27 C28 C13 -142.1(7) . . . . ?
C26 C27 C28 C29 143.4(7) . . . . ?
C31 C27 C28 C29 0.2(8) . . . . ?
C17 C16 C29 C30 0.0(10) . . . . ?
C15 C16 C29 C30 -139.5(7) . . . . ?
C17 C16 C29 C28 137.6(7) . . . . ?
C15 C16 C29 C28 -1.8(10) . . . . ?
C13 C28 C29 C16 1.2(11) . . . . ?
C27 C28 C29 C16 -141.0(7) . . . . ?
C13 C28 C29 C30 142.6(7) . . . . ?
C27 C28 C29 C30 0.3(8) . . . . ?
C20 C19 C30 C29 137.3(7) . . . . ?
C18 C19 C30 C29 -3.2(10) . . . . ?
C20 C19 C30 C31 0.2(9) . . . . ?
C18 C19 C30 C31 -140.3(6) . . . . ?
C16 C29 C30 C19 1.2(10) . . . . ?
C28 C29 C30 C19 -141.3(6) . . . . ?
C16 C29 C30 C31 141.8(6) . . . . ?
C28 C29 C30 C31 -0.7(8) . . . . ?
C19 C30 C31 C32 -0.9(10) . . . . ?
C29 C30 C31 C32 -142.3(7) . . . . ?
C19 C30 C31 C27 142.2(6) . . . . ?
C29 C30 C31 C27 0.8(8) . . . . ?
C26 C27 C31 C32 -0.1(10) . . . . ?
C28 C27 C31 C32 143.3(7) . . . . ?
C26 C27 C31 C30 -144.0(7) . . . . ?
C28 C27 C31 C30 -0.6(8) . . . . ?
C30 C31 C32 C21 0.2(11) . . . . ?
C27 C31 C32 C21 -138.2(7) . . . . ?
C30 C31 C32 C24 138.1(7) . . . . ?
C27 C31 C32 C24 -0.3(10) . . . . ?
C20 C21 C32 C31 1.3(10) . . . . ?
C22 C21 C32 C31 142.5(7) . . . . ?
C20 C21 C32 C24 -140.8(6) . . . . ?
C22 C21 C32 C24 0.4(8) . . . . ?
C25 C24 C32 C31 0.7(10) . . . . ?
C23 C24 C32 C31 -143.2(7) . . . . ?
C25 C24 C32 C21 142.8(7) . . . . ?
C23 C24 C32 C21 -1.1(8) . . . . ?
C34 C34 N1 C33 -57.7(4) 7_575 . . . ?
C34 C34 N1 C1 59.6(4) 7_575 . . . ?
C34 C34 N1 Rh1 -170.67(9) 7_575 . . . ?
C33 C33 N1 C34 57.5(4) 7_575 . . . ?
C33 C33 N1 C1 -59.8(4) 7_575 . . . ?
C33 C33 N1 Rh1 167.78(9) 7_575 . . . ?
C18 C1 N1 C34 66.8(5) . . . . ?
C2 C1 N1 C34 176.4(4) . . . . ?
C1 C1 N1 C34 -58.3(4) 7_575 . . . ?
C18 C1 N1 C33 -176.3(4) . . . . ?
C2 C1 N1 C33 -66.7(5) . . . . ?
C1 C1 N1 C33 58.6(4) 7_575 . . . ?
C18 C1 N1 Rh1 -51.9(5) . . . . ?
C2 C1 N1 Rh1 57.6(5) . . . . ?
C1 C1 N1 Rh1 -177.03(17) 7_575 . . . ?
O2 C35 O1 Rh1 -4.0(9) . . . . ?
C36 C35 O1 Rh1 176.1(5) . . . . ?
O1 C35 O2 Rh1 6.2(9) . . . 5_567 ?
C36 C35 O2 Rh1 -173.9(5) . . . 5_567 ?
O4 C37 O3 Rh1 4.4(8) . . . . ?
C38 C37 O3 Rh1 -173.4(4) . . . . ?
O3 C37 O4 Rh1 -6.0(8) . . . 5_567 ?
C38 C37 O4 Rh1 171.8(4) . . . 5_567 ?
C47_1 C39_1 C40_1 C50_1 1.0 . . . . ?
C43_1 C39_1 C40_1 C50_1 142.5 . . . . ?
C47_1 C39_1 C40_1 C41_1 -142.5 . . . . ?
C43_1 C39_1 C40_1 C41_1 -1.0 . . . . ?
C50_1 C40_1 C41_1 C53_1 -1.8 . . . . ?
C39_1 C40_1 C41_1 C53_1 141.9 . . . . ?
C50_1 C40_1 C41_1 C42_1 -143.4 . . . . ?
C39_1 C40_1 C41_1 C42_1 0.3 . . . . ?
C53_1 C41_1 C42_1 C56_1 -0.2 . . . . ?
C40_1 C41_1 C42_1 C56_1 142.2 . . . . ?
C53_1 C41_1 C42_1 C43_1 -141.9 . . . . ?
C40_1 C41_1 C42_1 C43_1 0.5 . . . . ?
C47_1 C39_1 C43_1 C44_1 -2.1 . . . . ?
C40_1 C39_1 C43_1 C44_1 -142.2 . . . . ?
C47_1 C39_1 C43_1 C42_1 141.5 . . . . ?
C40_1 C39_1 C43_1 C42_1 1.3 . . . . ?
C56_1 C42_1 C43_1 C44_1 1.5 . . . . ?
C41_1 C42_1 C43_1 C44_1 142.3 . . . . ?
C56_1 C42_1 C43_1 C39_1 -141.9 . . . . ?
C41_1 C42_1 C43_1 C39_1 -1.1 . . . . ?
C39_1 C43_1 C44_1 C58_1 139.4 . . . . ?
C42_1 C43_1 C44_1 C58_1 -0.4 . . . . ?
C39_1 C43_1 C44_1 C45_1 0.5 . . . . ?
C42_1 C43_1 C44_1 C45_1 -139.2 . . . . ?
C43_1 C44_1 C45_1 C46_1 0.3 . . . . ?
C58_1 C44_1 C45_1 C46_1 -143.1 . . . . ?
C43_1 C44_1 C45_1 C60_1 142.4 . . . . ?
C58_1 C44_1 C45_1 C60_1 -1.0 . . . . ?
C60_1 C45_1 C46_1 C63_1 0.5 . . . . ?
C44_1 C45_1 C46_1 C63_1 138.4 . . . . ?
C60_1 C45_1 C46_1 C47_1 -137.6 . . . . ?
C44_1 C45_1 C46_1 C47_1 0.3 . . . . ?
C43_1 C39_1 C47_1 C48_1 -137.1 . . . . ?
C40_1 C39_1 C47_1 C48_1 -0.9 . . . . ?
C43_1 C39_1 C47_1 C46_1 2.7 . . . . ?
C40_1 C39_1 C47_1 C46_1 138.9 . . . . ?
C45_1 C46_1 C47_1 C39_1 -1.8 . . . . ?
C63_1 C46_1 C47_1 C39_1 -144.0 . . . . ?
C45_1 C46_1 C47_1 C48_1 143.1 . . . . ?
C63_1 C46_1 C47_1 C48_1 0.9 . . . . ?
C39_1 C47_1 C48_1 C49_1 0.8 . . . . ?
C46_1 C47_1 C48_1 C49_1 -142.9 . . . . ?
C39_1 C47_1 C48_1 C64_1 142.3 . . . . ?
C46_1 C47_1 C48_1 C64_1 -1.4 . . . . ?
C47_1 C48_1 C49_1 C50_1 -0.7 . . . . ?
C64_1 C48_1 C49_1 C50_1 -138.3 . . . . ?
C47_1 C48_1 C49_1 C67_1 137.4 . . . . ?
C64_1 C48_1 C49_1 C67_1 -0.3 . . . . ?
C41_1 C40_1 C50_1 C49_1 138.6 . . . . ?
C39_1 C40_1 C50_1 C49_1 -0.9 . . . . ?
C41_1 C40_1 C50_1 C51_1 1.2 . . . . ?
C39_1 C40_1 C50_1 C51_1 -138.3 . . . . ?
C48_1 C49_1 C50_1 C40_1 0.7 . . . . ?
C67_1 C49_1 C50_1 C40_1 -142.0 . . . . ?
C48_1 C49_1 C50_1 C51_1 142.4 . . . . ?
C67_1 C49_1 C50_1 C51_1 -0.3 . . . . ?
C40_1 C50_1 C51_1 C52_1 -0.8 . . . . ?
C49_1 C50_1 C51_1 C52_1 -142.9 . . . . ?
C40_1 C50_1 C51_1 C68_1 142.8 . . . . ?
C49_1 C50_1 C51_1 C68_1 0.6 . . . . ?
C68_1 C51_1 C52_1 C71_1 -0.2 . . . . ?
C50_1 C51_1 C52_1 C71_1 138.9 . . . . ?
C68_1 C51_1 C52_1 C53_1 -138.2 . . . . ?
C50_1 C51_1 C52_1 C53_1 0.8 . . . . ?
C40_1 C41_1 C53_1 C54_1 -136.8 . . . . ?
C42_1 C41_1 C53_1 C54_1 0.1 . . . . ?
C40_1 C41_1 C53_1 C52_1 1.8 . . . . ?
C42_1 C41_1 C53_1 C52_1 138.7 . . . . ?
C51_1 C52_1 C53_1 C41_1 -1.3 . . . . ?
C71_1 C52_1 C53_1 C41_1 -143.3 . . . . ?
C51_1 C52_1 C53_1 C54_1 142.5 . . . . ?
C71_1 C52_1 C53_1 C54_1 0.5 . . . . ?
C41_1 C53_1 C54_1 C55_1 0.0 . . . . ?
C52_1 C53_1 C54_1 C55_1 -143.1 . . . . ?
C41_1 C53_1 C54_1 C72_1 142.7 . . . . ?
C52_1 C53_1 C54_1 C72_1 -0.4 . . . . ?
C72_1 C54_1 C55_1 C56_1 -138.3 . . . . ?
C53_1 C54_1 C55_1 C56_1 0.0 . . . . ?
C72_1 C54_1 C55_1 C75_1 1.2 . . . . ?
C53_1 C54_1 C55_1 C75_1 139.5 . . . . ?
C43_1 C42_1 C56_1 C55_1 136.9 . . . . ?
C41_1 C42_1 C56_1 C55_1 0.2 . . . . ?
C43_1 C42_1 C56_1 C57_1 0.4 . . . . ?
C41_1 C42_1 C56_1 C57_1 -136.3 . . . . ?
C54_1 C55_1 C56_1 C42_1 -0.1 . . . . ?
C75_1 C55_1 C56_1 C42_1 -143.7 . . . . ?
C54_1 C55_1 C56_1 C57_1 142.4 . . . . ?
C75_1 C55_1 C56_1 C57_1 -1.1 . . . . ?
C42_1 C56_1 C57_1 C76_1 143.3 . . . . ?
C55_1 C56_1 C57_1 C76_1 1.2 . . . . ?
C42_1 C56_1 C57_1 C58_1 -3.4 . . . . ?
C55_1 C56_1 C57_1 C58_1 -145.5 . . . . ?
C76_1 C57_1 C58_1 C59_1 1.9 . . . . ?
C56_1 C57_1 C58_1 C59_1 141.5 . . . . ?
C76_1 C57_1 C58_1 C44_1 -134.9 . . . . ?
C56_1 C57_1 C58_1 C44_1 4.6 . . . . ?
C43_1 C44_1 C58_1 C57_1 -3.0 . . . . ?
C45_1 C44_1 C58_1 C57_1 140.7 . . . . ?
C43_1 C44_1 C58_1 C59_1 -142.2 . . . . ?
C45_1 C44_1 C58_1 C59_1 1.5 . . . . ?
C57_1 C58_1 C59_1 C78_1 -0.2 . . . . ?
C44_1 C58_1 C59_1 C78_1 142.9 . . . . ?
C57_1 C58_1 C59_1 C60_1 -144.5 . . . . ?
C44_1 C58_1 C59_1 C60_1 -1.3 . . . . ?
C46_1 C45_1 C60_1 C61_1 0.0 . . . . ?
C44_1 C45_1 C60_1 C61_1 -141.7 . . . . ?
C46_1 C45_1 C60_1 C59_1 142.0 . . . . ?
C44_1 C45_1 C60_1 C59_1 0.2 . . . . ?
C78_1 C59_1 C60_1 C61_1 -1.6 . . . . ?
C58_1 C59_1 C60_1 C61_1 143.1 . . . . ?
C78_1 C59_1 C60_1 C45_1 -144.1 . . . . ?
C58_1 C59_1 C60_1 C45_1 0.7 . . . . ?
C45_1 C60_1 C61_1 C80_1 138.1 . . . . ?
C59_1 C60_1 C61_1 C80_1 0.8 . . . . ?
C45_1 C60_1 C61_1 C62_1 -0.7 . . . . ?
C59_1 C60_1 C61_1 C62_1 -138.0 . . . . ?
C60_1 C61_1 C62_1 C63_1 0.9 . . . . ?
C80_1 C61_1 C62_1 C63_1 -142.0 . . . . ?
C60_1 C61_1 C62_1 C82_1 143.2 . . . . ?
C80_1 C61_1 C62_1 C82_1 0.3 . . . . ?
C61_1 C62_1 C63_1 C46_1 -0.4 . . . . ?
C82_1 C62_1 C63_1 C46_1 -137.5 . . . . ?
C61_1 C62_1 C63_1 C64_1 137.5 . . . . ?
C82_1 C62_1 C63_1 C64_1 0.4 . . . . ?
C45_1 C46_1 C63_1 C62_1 -0.3 . . . . ?
C47_1 C46_1 C63_1 C62_1 142.3 . . . . ?
C45_1 C46_1 C63_1 C64_1 -142.7 . . . . ?
C47_1 C46_1 C63_1 C64_1 -0.1 . . . . ?
C49_1 C48_1 C64_1 C65_1 -0.3 . . . . ?
C47_1 C48_1 C64_1 C65_1 -141.9 . . . . ?
C49_1 C48_1 C64_1 C63_1 142.9 . . . . ?
C47_1 C48_1 C64_1 C63_1 1.3 . . . . ?
C62_1 C63_1 C64_1 C65_1 -0.1 . . . . ?
C46_1 C63_1 C64_1 C65_1 142.7 . . . . ?
C62_1 C63_1 C64_1 C48_1 -143.6 . . . . ?
C46_1 C63_1 C64_1 C48_1 -0.7 . . . . ?
C48_1 C64_1 C65_1 C83_1 138.9 . . . . ?
C63_1 C64_1 C65_1 C83_1 0.2 . . . . ?
C48_1 C64_1 C65_1 C66_1 0.7 . . . . ?
C63_1 C64_1 C65_1 C66_1 -137.9 . . . . ?
C64_1 C65_1 C66_1 C67_1 -0.5 . . . . ?
C83_1 C65_1 C66_1 C67_1 -143.0 . . . . ?
C64_1 C65_1 C66_1 C85_1 142.7 . . . . ?
C83_1 C65_1 C66_1 C85_1 0.2 . . . . ?
C65_1 C66_1 C67_1 C68_1 138.5 . . . . ?
C85_1 C66_1 C67_1 C68_1 -0.7 . . . . ?
C65_1 C66_1 C67_1 C49_1 -0.1 . . . . ?
C85_1 C66_1 C67_1 C49_1 -139.3 . . . . ?
C48_1 C49_1 C67_1 C66_1 0.5 . . . . ?
C50_1 C49_1 C67_1 C66_1 143.0 . . . . ?
C48_1 C49_1 C67_1 C68_1 -142.5 . . . . ?
C50_1 C49_1 C67_1 C68_1 -0.1 . . . . ?
C66_1 C67_1 C68_1 C69_1 0.3 . . . . ?
C49_1 C67_1 C68_1 C69_1 143.0 . . . . ?
C66_1 C67_1 C68_1 C51_1 -142.3 . . . . ?
C49_1 C67_1 C68_1 C51_1 0.5 . . . . ?
C52_1 C51_1 C68_1 C69_1 -0.2 . . . . ?
C50_1 C51_1 C68_1 C69_1 -143.6 . . . . ?
C52_1 C51_1 C68_1 C67_1 142.7 . . . . ?
C50_1 C51_1 C68_1 C67_1 -0.7 . . . . ?
C67_1 C68_1 C69_1 C70_1 -137.4 . . . . ?
C51_1 C68_1 C69_1 C70_1 0.9 . . . . ?
C67_1 C68_1 C69_1 C86_1 -0.3 . . . . ?
C51_1 C68_1 C69_1 C86_1 138.0 . . . . ?
C68_1 C69_1 C70_1 C71_1 -1.2 . . . . ?
C86_1 C69_1 C70_1 C71_1 -142.6 . . . . ?
C68_1 C69_1 C70_1 C88_1 142.6 . . . . ?
C86_1 C69_1 C70_1 C88_1 1.2 . . . . ?
C69_1 C70_1 C71_1 C72_1 138.9 . . . . ?
C88_1 C70_1 C71_1 C72_1 -1.0 . . . . ?
C69_1 C70_1 C71_1 C52_1 0.8 . . . . ?
C88_1 C70_1 C71_1 C52_1 -139.0 . . . . ?
C51_1 C52_1 C71_1 C70_1 -0.1 . . . . ?
C53_1 C52_1 C71_1 C70_1 142.2 . . . . ?
C51_1 C52_1 C71_1 C72_1 -142.8 . . . . ?
C53_1 C52_1 C71_1 C72_1 -0.5 . . . . ?
C70_1 C71_1 C72_1 C73_1 0.8 . . . . ?
C52_1 C71_1 C72_1 C73_1 143.7 . . . . ?
C70_1 C71_1 C72_1 C54_1 -142.6 . . . . ?
C52_1 C71_1 C72_1 C54_1 0.3 . . . . ?
C55_1 C54_1 C72_1 C73_1 -1.1 . . . . ?
C53_1 C54_1 C72_1 C73_1 -143.3 . . . . ?
C55_1 C54_1 C72_1 C71_1 142.3 . . . . ?
C53_1 C54_1 C72_1 C71_1 0.1 . . . . ?
C71_1 C72_1 C73_1 C74_1 -137.9 . . . . ?
C54_1 C72_1 C73_1 C74_1 1.1 . . . . ?
C71_1 C72_1 C73_1 C89_1 -1.6 . . . . ?
C54_1 C72_1 C73_1 C89_1 137.5 . . . . ?
C72_1 C73_1 C74_1 C75_1 -1.5 . . . . ?
C89_1 C73_1 C74_1 C75_1 -142.4 . . . . ?
C72_1 C73_1 C74_1 C91_1 141.4 . . . . ?
C89_1 C73_1 C74_1 C91_1 0.4 . . . . ?
C73_1 C74_1 C75_1 C76_1 137.9 . . . . ?
C91_1 C74_1 C75_1 C76_1 -0.6 . . . . ?
C73_1 C74_1 C75_1 C55_1 1.6 . . . . ?
C91_1 C74_1 C75_1 C55_1 -136.9 . . . . ?
C54_1 C55_1 C75_1 C74_1 -1.5 . . . . ?
C56_1 C55_1 C75_1 C74_1 142.3 . . . . ?
C54_1 C55_1 C75_1 C76_1 -143.1 . . . . ?
C56_1 C55_1 C75_1 C76_1 0.7 . . . . ?
C58_1 C57_1 C76_1 C77_1 -2.1 . . . . ?
C56_1 C57_1 C76_1 C77_1 -143.4 . . . . ?
C58_1 C57_1 C76_1 C75_1 140.5 . . . . ?
C56_1 C57_1 C76_1 C75_1 -0.8 . . . . ?
C74_1 C75_1 C76_1 C57_1 -141.1 . . . . ?
C55_1 C75_1 C76_1 C57_1 0.1 . . . . ?
C74_1 C75_1 C76_1 C77_1 1.0 . . . . ?
C55_1 C75_1 C76_1 C77_1 142.2 . . . . ?
C57_1 C76_1 C77_1 C92_1 139.1 . . . . ?
C75_1 C76_1 C77_1 C92_1 -0.3 . . . . ?
C57_1 C76_1 C77_1 C78_1 0.6 . . . . ?
C75_1 C76_1 C77_1 C78_1 -138.8 . . . . ?
C58_1 C59_1 C78_1 C77_1 -1.0 . . . . ?
C60_1 C59_1 C78_1 C77_1 139.2 . . . . ?
C58_1 C59_1 C78_1 C79_1 -137.6 . . . . ?
C60_1 C59_1 C78_1 C79_1 2.6 . . . . ?
C76_1 C77_1 C78_1 C59_1 0.9 . . . . ?
C92_1 C77_1 C78_1 C59_1 -141.6 . . . . ?
C76_1 C77_1 C78_1 C79_1 142.7 . . . . ?
C92_1 C77_1 C78_1 C79_1 0.2 . . . . ?
C59_1 C78_1 C79_1 C80_1 -2.7 . . . . ?
C77_1 C78_1 C79_1 C80_1 -144.3 . . . . ?
C59_1 C78_1 C79_1 C93_1 141.4 . . . . ?
C77_1 C78_1 C79_1 C93_1 -0.3 . . . . ?
C93_1 C79_1 C80_1 C61_1 -137.5 . . . . ?
C78_1 C79_1 C80_1 C61_1 1.9 . . . . ?
C93_1 C79_1 C80_1 C81_1 -0.3 . . . . ?
C78_1 C79_1 C80_1 C81_1 139.1 . . . . ?
C60_1 C61_1 C80_1 C79_1 -1.0 . . . . ?
C62_1 C61_1 C80_1 C79_1 141.4 . . . . ?
C60_1 C61_1 C80_1 C81_1 -142.2 . . . . ?
C62_1 C61_1 C80_1 C81_1 0.2 . . . . ?
C79_1 C80_1 C81_1 C95_1 0.4 . . . . ?
C61_1 C80_1 C81_1 C95_1 142.7 . . . . ?
C79_1 C80_1 C81_1 C82_1 -142.9 . . . . ?
C61_1 C80_1 C81_1 C82_1 -0.6 . . . . ?
C95_1 C81_1 C82_1 C83_1 0.4 . . . . ?
C80_1 C81_1 C82_1 C83_1 143.2 . . . . ?
C95_1 C81_1 C82_1 C62_1 -142.0 . . . . ?
C80_1 C81_1 C82_1 C62_1 0.8 . . . . ?
C63_1 C62_1 C82_1 C83_1 -0.9 . . . . ?
C61_1 C62_1 C82_1 C83_1 -143.2 . . . . ?
C63_1 C62_1 C82_1 C81_1 141.7 . . . . ?
C61_1 C62_1 C82_1 C81_1 -0.6 . . . . ?
C81_1 C82_1 C83_1 C65_1 -137.4 . . . . ?
C62_1 C82_1 C83_1 C65_1 1.1 . . . . ?
C81_1 C82_1 C83_1 C84_1 -0.3 . . . . ?
C62_1 C82_1 C83_1 C84_1 138.2 . . . . ?
C64_1 C65_1 C83_1 C82_1 -0.7 . . . . ?
C66_1 C65_1 C83_1 C82_1 141.7 . . . . ?
C64_1 C65_1 C83_1 C84_1 -141.9 . . . . ?
C66_1 C65_1 C83_1 C84_1 0.6 . . . . ?
C82_1 C83_1 C84_1 C96_1 0.1 . . . . ?
C65_1 C83_1 C84_1 C96_1 141.7 . . . . ?
C82_1 C83_1 C84_1 C85_1 -142.9 . . . . ?
C65_1 C83_1 C84_1 C85_1 -1.2 . . . . ?
C67_1 C66_1 C85_1 C86_1 1.1 . . . . ?
C65_1 C66_1 C85_1 C86_1 -142.4 . . . . ?
C67_1 C66_1 C85_1 C84_1 142.6 . . . . ?
C65_1 C66_1 C85_1 C84_1 -1.0 . . . . ?
C96_1 C84_1 C85_1 C86_1 -0.1 . . . . ?
C83_1 C84_1 C85_1 C86_1 143.1 . . . . ?
C96_1 C84_1 C85_1 C66_1 -141.8 . . . . ?
C83_1 C84_1 C85_1 C66_1 1.3 . . . . ?
C66_1 C85_1 C86_1 C87_1 137.2 . . . . ?
C84_1 C85_1 C86_1 C87_1 0.5 . . . . ?
C66_1 C85_1 C86_1 C69_1 -1.1 . . . . ?
C84_1 C85_1 C86_1 C69_1 -137.8 . . . . ?
C68_1 C69_1 C86_1 C85_1 0.7 . . . . ?
C70_1 C69_1 C86_1 C85_1 142.7 . . . . ?
C68_1 C69_1 C86_1 C87_1 -142.6 . . . . ?
C70_1 C69_1 C86_1 C87_1 -0.6 . . . . ?
C85_1 C86_1 C87_1 C97_1 0.1 . . . . ?
C69_1 C86_1 C87_1 C97_1 143.0 . . . . ?
C85_1 C86_1 C87_1 C88_1 -143.1 . . . . ?
C69_1 C86_1 C87_1 C88_1 -0.2 . . . . ?
C71_1 C70_1 C88_1 C89_1 2.0 . . . . ?
C69_1 C70_1 C88_1 C89_1 -141.6 . . . . ?
C71_1 C70_1 C88_1 C87_1 142.4 . . . . ?
C69_1 C70_1 C88_1 C87_1 -1.3 . . . . ?
C97_1 C87_1 C88_1 C89_1 -1.6 . . . . ?
C86_1 C87_1 C88_1 C89_1 141.5 . . . . ?
C97_1 C87_1 C88_1 C70_1 -142.2 . . . . ?
C86_1 C87_1 C88_1 C70_1 0.9 . . . . ?
C70_1 C88_1 C89_1 C90_1 137.8 . . . . ?
C87_1 C88_1 C89_1 C90_1 2.3 . . . . ?
C70_1 C88_1 C89_1 C73_1 -2.8 . . . . ?
C87_1 C88_1 C89_1 C73_1 -138.3 . . . . ?
C72_1 C73_1 C89_1 C88_1 2.7 . . . . ?
C74_1 C73_1 C89_1 C88_1 143.5 . . . . ?
C72_1 C73_1 C89_1 C90_1 -141.8 . . . . ?
C74_1 C73_1 C89_1 C90_1 -1.0 . . . . ?
C88_1 C89_1 C90_1 C98_1 -2.2 . . . . ?
C73_1 C89_1 C90_1 C98_1 142.3 . . . . ?
C88_1 C89_1 C90_1 C91_1 -143.3 . . . . ?
C73_1 C89_1 C90_1 C91_1 1.2 . . . . ?
C75_1 C74_1 C91_1 C92_1 -0.5 . . . . ?
C73_1 C74_1 C91_1 C92_1 -143.7 . . . . ?
C75_1 C74_1 C91_1 C90_1 143.5 . . . . ?
C73_1 C74_1 C91_1 C90_1 0.3 . . . . ?
C98_1 C90_1 C91_1 C92_1 0.7 . . . . ?
C89_1 C90_1 C91_1 C92_1 142.8 . . . . ?
C98_1 C90_1 C91_1 C74_1 -143.0 . . . . ?
C89_1 C90_1 C91_1 C74_1 -0.9 . . . . ?
C74_1 C91_1 C92_1 C77_1 1.2 . . . . ?
C90_1 C91_1 C92_1 C77_1 -138.2 . . . . ?
C74_1 C91_1 C92_1 C93_1 138.0 . . . . ?
C90_1 C91_1 C92_1 C93_1 -1.3 . . . . ?
C76_1 C77_1 C92_1 C91_1 -0.8 . . . . ?
C78_1 C77_1 C92_1 C91_1 141.4 . . . . ?
C76_1 C77_1 C92_1 C93_1 -142.3 . . . . ?
C78_1 C77_1 C92_1 C93_1 -0.1 . . . . ?
C80_1 C79_1 C93_1 C94_1 -0.5 . . . . ?
C78_1 C79_1 C93_1 C94_1 -143.3 . . . . ?
C80_1 C79_1 C93_1 C92_1 143.1 . . . . ?
C78_1 C79_1 C93_1 C92_1 0.2 . . . . ?
C91_1 C92_1 C93_1 C94_1 2.0 . . . . ?
C77_1 C92_1 C93_1 C94_1 144.1 . . . . ?
C91_1 C92_1 C93_1 C79_1 -142.1 . . . . ?
C77_1 C92_1 C93_1 C79_1 0.0 . . . . ?
C79_1 C93_1 C94_1 C98_1 137.6 . . . . ?
C92_1 C93_1 C94_1 C98_1 -2.1 . . . . ?
C79_1 C93_1 C94_1 C95_1 1.1 . . . . ?
C92_1 C93_1 C94_1 C95_1 -138.6 . . . . ?
C82_1 C81_1 C95_1 C96_1 -0.4 . . . . ?
C80_1 C81_1 C95_1 C96_1 -138.9 . . . . ?
C82_1 C81_1 C95_1 C94_1 138.8 . . . . ?
C80_1 C81_1 C95_1 C94_1 0.2 . . . . ?
C93_1 C94_1 C95_1 C81_1 -1.0 . . . . ?
C98_1 C94_1 C95_1 C81_1 -142.4 . . . . ?
C93_1 C94_1 C95_1 C96_1 142.1 . . . . ?
C98_1 C94_1 C95_1 C96_1 0.6 . . . . ?
C83_1 C84_1 C96_1 C95_1 0.0 . . . . ?
C85_1 C84_1 C96_1 C95_1 138.5 . . . . ?
C83_1 C84_1 C96_1 C97_1 -139.4 . . . . ?
C85_1 C84_1 C96_1 C97_1 -0.9 . . . . ?
C81_1 C95_1 C96_1 C84_1 0.2 . . . . ?
C94_1 C95_1 C96_1 C84_1 -143.7 . . . . ?
C81_1 C95_1 C96_1 C97_1 143.7 . . . . ?
C94_1 C95_1 C96_1 C97_1 -0.2 . . . . ?
C86_1 C87_1 C97_1 C98_1 -138.4 . . . . ?
C88_1 C87_1 C97_1 C98_1 0.8 . . . . ?
C86_1 C87_1 C97_1 C96_1 -1.0 . . . . ?
C88_1 C87_1 C97_1 C96_1 138.2 . . . . ?
C84_1 C96_1 C97_1 C87_1 1.4 . . . . ?
C95_1 C96_1 C97_1 C87_1 -142.6 . . . . ?
C84_1 C96_1 C97_1 C98_1 143.7 . . . . ?
C95_1 C96_1 C97_1 C98_1 -0.3 . . . . ?
C89_1 C90_1 C98_1 C94_1 -137.5 . . . . ?
C91_1 C90_1 C98_1 C94_1 -0.7 . . . . ?
C89_1 C90_1 C98_1 C97_1 1.3 . . . . ?
C91_1 C90_1 C98_1 C97_1 138.2 . . . . ?
C93_1 C94_1 C98_1 C90_1 1.4 . . . . ?
C95_1 C94_1 C98_1 C90_1 141.9 . . . . ?
C93_1 C94_1 C98_1 C97_1 -141.3 . . . . ?
C95_1 C94_1 C98_1 C97_1 -0.8 . . . . ?
C87_1 C97_1 C98_1 C90_1 -0.6 . . . . ?
C96_1 C97_1 C98_1 C90_1 -142.8 . . . . ?
C87_1 C97_1 C98_1 C94_1 142.8 . . . . ?
C96_1 C97_1 C98_1 C94_1 0.7 . . . . ?
C47_2 C39_2 C40_2 C50_2 1.0 . . . . ?
C43_2 C39_2 C40_2 C50_2 142.5 . . . . ?
C47_2 C39_2 C40_2 C41_2 -142.5 . . . . ?
C43_2 C39_2 C40_2 C41_2 -1.0 . . . . ?
C50_2 C40_2 C41_2 C53_2 -1.8 . . . . ?
C39_2 C40_2 C41_2 C53_2 141.9 . . . . ?
C50_2 C40_2 C41_2 C42_2 -143.4 . . . . ?
C39_2 C40_2 C41_2 C42_2 0.3 . . . . ?
C53_2 C41_2 C42_2 C56_2 -0.1 . . . . ?
C40_2 C41_2 C42_2 C56_2 142.2 . . . . ?
C53_2 C41_2 C42_2 C43_2 -141.9 . . . . ?
C40_2 C41_2 C42_2 C43_2 0.5 . . . . ?
C47_2 C39_2 C43_2 C44_2 -2.1 . . . . ?
C40_2 C39_2 C43_2 C44_2 -142.3 . . . . ?
C47_2 C39_2 C43_2 C42_2 141.5 . . . . ?
C40_2 C39_2 C43_2 C42_2 1.3 . . . . ?
C56_2 C42_2 C43_2 C44_2 1.5 . . . . ?
C41_2 C42_2 C43_2 C44_2 142.3 . . . . ?
C56_2 C42_2 C43_2 C39_2 -141.9 . . . . ?
C41_2 C42_2 C43_2 C39_2 -1.1 . . . . ?
C39_2 C43_2 C44_2 C58_2 139.4 . . . . ?
C42_2 C43_2 C44_2 C58_2 -0.3 . . . . ?
C39_2 C43_2 C44_2 C45_2 0.5 . . . . ?
C42_2 C43_2 C44_2 C45_2 -139.2 . . . . ?
C43_2 C44_2 C45_2 C46_2 1.3 . . . . ?
C58_2 C44_2 C45_2 C46_2 -142.2 . . . . ?
C43_2 C44_2 C45_2 C60_2 142.4 . . . . ?
C58_2 C44_2 C45_2 C60_2 -1.0 . . . . ?
C60_2 C45_2 C46_2 C63_2 -0.8 . . . . ?
C44_2 C45_2 C46_2 C63_2 137.0 . . . . ?
C60_2 C45_2 C46_2 C47_2 -139.3 . . . . ?
C44_2 C45_2 C46_2 C47_2 -1.5 . . . . ?
C43_2 C39_2 C47_2 C48_2 -135.7 . . . . ?
C40_2 C39_2 C47_2 C48_2 0.5 . . . . ?
C43_2 C39_2 C47_2 C46_2 1.8 . . . . ?
C40_2 C39_2 C47_2 C46_2 138.0 . . . . ?
C63_2 C46_2 C47_2 C39_2 -143.4 . . . . ?
C45_2 C46_2 C47_2 C39_2 0.0 . . . . ?
C63_2 C46_2 C47_2 C48_2 1.5 . . . . ?
C45_2 C46_2 C47_2 C48_2 144.8 . . . . ?
C39_2 C47_2 C48_2 C64_2 141.0 . . . . ?
C46_2 C47_2 C48_2 C64_2 -2.1 . . . . ?
C39_2 C47_2 C48_2 C49_2 -1.9 . . . . ?
C46_2 C47_2 C48_2 C49_2 -145.0 . . . . ?
C64_2 C48_2 C49_2 C50_2 -136.4 . . . . ?
C47_2 C48_2 C49_2 C50_2 1.9 . . . . ?
C64_2 C48_2 C49_2 C67_2 1.6 . . . . ?
C47_2 C48_2 C49_2 C67_2 139.9 . . . . ?
C41_2 C40_2 C50_2 C49_2 138.6 . . . . ?
C39_2 C40_2 C50_2 C49_2 -0.9 . . . . ?
C41_2 C40_2 C50_2 C51_2 1.3 . . . . ?
C39_2 C40_2 C50_2 C51_2 -138.3 . . . . ?
C48_2 C49_2 C50_2 C40_2 -0.6 . . . . ?
C67_2 C49_2 C50_2 C40_2 -141.4 . . . . ?
C48_2 C49_2 C50_2 C51_2 141.0 . . . . ?
C67_2 C49_2 C50_2 C51_2 0.2 . . . . ?
C40_2 C50_2 C51_2 C52_2 -0.8 . . . . ?
C49_2 C50_2 C51_2 C52_2 -142.9 . . . . ?
C40_2 C50_2 C51_2 C68_2 142.8 . . . . ?
C49_2 C50_2 C51_2 C68_2 0.7 . . . . ?
C68_2 C51_2 C52_2 C71_2 -0.2 . . . . ?
C50_2 C51_2 C52_2 C71_2 138.9 . . . . ?
C68_2 C51_2 C52_2 C53_2 -138.2 . . . . ?
C50_2 C51_2 C52_2 C53_2 0.8 . . . . ?
C40_2 C41_2 C53_2 C54_2 -136.7 . . . . ?
C42_2 C41_2 C53_2 C54_2 0.1 . . . . ?
C40_2 C41_2 C53_2 C52_2 1.9 . . . . ?
C42_2 C41_2 C53_2 C52_2 138.7 . . . . ?
C51_2 C52_2 C53_2 C41_2 -1.4 . . . . ?
C71_2 C52_2 C53_2 C41_2 -143.3 . . . . ?
C51_2 C52_2 C53_2 C54_2 142.5 . . . . ?
C71_2 C52_2 C53_2 C54_2 0.6 . . . . ?
C41_2 C53_2 C54_2 C55_2 0.0 . . . . ?
C52_2 C53_2 C54_2 C55_2 -143.1 . . . . ?
C41_2 C53_2 C54_2 C72_2 142.7 . . . . ?
C52_2 C53_2 C54_2 C72_2 -0.4 . . . . ?
C72_2 C54_2 C55_2 C56_2 -138.3 . . . . ?
C53_2 C54_2 C55_2 C56_2 0.0 . . . . ?
C72_2 C54_2 C55_2 C75_2 1.2 . . . . ?
C53_2 C54_2 C55_2 C75_2 139.5 . . . . ?
C43_2 C42_2 C56_2 C55_2 136.9 . . . . ?
C41_2 C42_2 C56_2 C55_2 0.1 . . . . ?
C43_2 C42_2 C56_2 C57_2 -1.3 . . . . ?
C41_2 C42_2 C56_2 C57_2 -138.1 . . . . ?
C54_2 C55_2 C56_2 C42_2 0.0 . . . . ?
C75_2 C55_2 C56_2 C42_2 -143.7 . . . . ?
C54_2 C55_2 C56_2 C57_2 142.5 . . . . ?
C75_2 C55_2 C56_2 C57_2 -1.2 . . . . ?
C42_2 C56_2 C57_2 C58_2 -0.1 . . . . ?
C55_2 C56_2 C57_2 C58_2 -143.0 . . . . ?
C42_2 C56_2 C57_2 C76_2 144.1 . . . . ?
C55_2 C56_2 C57_2 C76_2 1.2 . . . . ?
C76_2 C57_2 C58_2 C44_2 -138.4 . . . . ?
C56_2 C57_2 C58_2 C44_2 1.2 . . . . ?
C76_2 C57_2 C58_2 C59_2 -1.6 . . . . ?
C56_2 C57_2 C58_2 C59_2 138.0 . . . . ?
C43_2 C44_2 C58_2 C57_2 -1.0 . . . . ?
C45_2 C44_2 C58_2 C57_2 142.7 . . . . ?
C43_2 C44_2 C58_2 C59_2 -142.1 . . . . ?
C45_2 C44_2 C58_2 C59_2 1.6 . . . . ?
C57_2 C58_2 C59_2 C78_2 2.0 . . . . ?
C44_2 C58_2 C59_2 C78_2 143.5 . . . . ?
C57_2 C58_2 C59_2 C60_2 -143.0 . . . . ?
C44_2 C58_2 C59_2 C60_2 -1.6 . . . . ?
C46_2 C45_2 C60_2 C61_2 0.7 . . . . ?
C44_2 C45_2 C60_2 C61_2 -141.7 . . . . ?
C46_2 C45_2 C60_2 C59_2 142.4 . . . . ?
C44_2 C45_2 C60_2 C59_2 0.1 . . . . ?
C78_2 C59_2 C60_2 C61_2 -0.8 . . . . ?
C58_2 C59_2 C60_2 C61_2 143.5 . . . . ?
C78_2 C59_2 C60_2 C45_2 -143.4 . . . . ?
C58_2 C59_2 C60_2 C45_2 0.9 . . . . ?
C45_2 C60_2 C61_2 C80_2 138.1 . . . . ?
C59_2 C60_2 C61_2 C80_2 0.5 . . . . ?
C45_2 C60_2 C61_2 C62_2 -0.7 . . . . ?
C59_2 C60_2 C61_2 C62_2 -138.4 . . . . ?
C60_2 C61_2 C62_2 C63_2 0.9 . . . . ?
C80_2 C61_2 C62_2 C63_2 -142.0 . . . . ?
C60_2 C61_2 C62_2 C82_2 143.2 . . . . ?
C80_2 C61_2 C62_2 C82_2 0.3 . . . . ?
C61_2 C62_2 C63_2 C46_2 -1.0 . . . . ?
C82_2 C62_2 C63_2 C46_2 -138.2 . . . . ?
C61_2 C62_2 C63_2 C64_2 137.5 . . . . ?
C82_2 C62_2 C63_2 C64_2 0.4 . . . . ?
C45_2 C46_2 C63_2 C62_2 1.0 . . . . ?
C47_2 C46_2 C63_2 C62_2 142.4 . . . . ?
C45_2 C46_2 C63_2 C64_2 -141.8 . . . . ?
C47_2 C46_2 C63_2 C64_2 -0.4 . . . . ?
C49_2 C48_2 C64_2 C65_2 -2.0 . . . . ?
C47_2 C48_2 C64_2 C65_2 -141.8 . . . . ?
C49_2 C48_2 C64_2 C63_2 141.8 . . . . ?
C47_2 C48_2 C64_2 C63_2 2.0 . . . . ?
C62_2 C63_2 C64_2 C48_2 -144.0 . . . . ?
C46_2 C63_2 C64_2 C48_2 -1.0 . . . . ?
C62_2 C63_2 C64_2 C65_2 -0.1 . . . . ?
C46_2 C63_2 C64_2 C65_2 142.9 . . . . ?
C48_2 C64_2 C65_2 C83_2 139.7 . . . . ?
C63_2 C64_2 C65_2 C83_2 0.2 . . . . ?
C48_2 C64_2 C65_2 C66_2 1.6 . . . . ?
C63_2 C64_2 C65_2 C66_2 -137.9 . . . . ?
C64_2 C65_2 C66_2 C67_2 -0.8 . . . . ?
C83_2 C65_2 C66_2 C67_2 -143.2 . . . . ?
C64_2 C65_2 C66_2 C85_2 142.8 . . . . ?
C83_2 C65_2 C66_2 C85_2 0.3 . . . . ?
C65_2 C66_2 C67_2 C68_2 138.1 . . . . ?
C85_2 C66_2 C67_2 C68_2 -1.5 . . . . ?
C65_2 C66_2 C67_2 C49_2 0.4 . . . . ?
C85_2 C66_2 C67_2 C49_2 -139.2 . . . . ?
C48_2 C49_2 C67_2 C66_2 -0.7 . . . . ?
C50_2 C49_2 C67_2 C66_2 142.4 . . . . ?
C48_2 C49_2 C67_2 C68_2 -144.2 . . . . ?
C50_2 C49_2 C67_2 C68_2 -1.0 . . . . ?
C52_2 C51_2 C68_2 C69_2 -0.7 . . . . ?
C50_2 C51_2 C68_2 C69_2 -144.0 . . . . ?
C52_2 C51_2 C68_2 C67_2 142.1 . . . . ?
C50_2 C51_2 C68_2 C67_2 -1.3 . . . . ?
C66_2 C67_2 C68_2 C69_2 0.7 . . . . ?
C49_2 C67_2 C68_2 C69_2 143.6 . . . . ?
C66_2 C67_2 C68_2 C51_2 -141.5 . . . . ?
C49_2 C67_2 C68_2 C51_2 1.4 . . . . ?
C51_2 C68_2 C69_2 C70_2 1.9 . . . . ?
C67_2 C68_2 C69_2 C70_2 -136.8 . . . . ?
C51_2 C68_2 C69_2 C86_2 138.7 . . . . ?
C67_2 C68_2 C69_2 C86_2 0.1 . . . . ?
C68_2 C69_2 C70_2 C71_2 -2.2 . . . . ?
C86_2 C69_2 C70_2 C71_2 -143.0 . . . . ?
C68_2 C69_2 C70_2 C88_2 141.8 . . . . ?
C86_2 C69_2 C70_2 C88_2 0.9 . . . . ?
C69_2 C70_2 C71_2 C72_2 139.4 . . . . ?
C88_2 C70_2 C71_2 C72_2 -0.9 . . . . ?
C69_2 C70_2 C71_2 C52_2 1.3 . . . . ?
C88_2 C70_2 C71_2 C52_2 -139.0 . . . . ?
C51_2 C52_2 C71_2 C70_2 -0.1 . . . . ?
C53_2 C52_2 C71_2 C70_2 142.2 . . . . ?
C51_2 C52_2 C71_2 C72_2 -142.8 . . . . ?
C53_2 C52_2 C71_2 C72_2 -0.5 . . . . ?
C70_2 C71_2 C72_2 C73_2 0.8 . . . . ?
C52_2 C71_2 C72_2 C73_2 143.7 . . . . ?
C70_2 C71_2 C72_2 C54_2 -142.6 . . . . ?
C52_2 C71_2 C72_2 C54_2 0.3 . . . . ?
C55_2 C54_2 C72_2 C73_2 -1.1 . . . . ?
C53_2 C54_2 C72_2 C73_2 -143.3 . . . . ?
C55_2 C54_2 C72_2 C71_2 142.3 . . . . ?
C53_2 C54_2 C72_2 C71_2 0.1 . . . . ?
C71_2 C72_2 C73_2 C89_2 -0.7 . . . . ?
C54_2 C72_2 C73_2 C89_2 138.4 . . . . ?
C71_2 C72_2 C73_2 C74_2 -137.9 . . . . ?
C54_2 C72_2 C73_2 C74_2 1.2 . . . . ?
C89_2 C73_2 C74_2 C91_2 0.7 . . . . ?
C72_2 C73_2 C74_2 C91_2 141.8 . . . . ?
C89_2 C73_2 C74_2 C75_2 -142.6 . . . . ?
C72_2 C73_2 C74_2 C75_2 -1.5 . . . . ?
C91_2 C74_2 C75_2 C76_2 -1.7 . . . . ?
C73_2 C74_2 C75_2 C76_2 137.9 . . . . ?
C91_2 C74_2 C75_2 C55_2 -137.9 . . . . ?
C73_2 C74_2 C75_2 C55_2 1.7 . . . . ?
C54_2 C55_2 C75_2 C74_2 -1.6 . . . . ?
C56_2 C55_2 C75_2 C74_2 142.3 . . . . ?
C54_2 C55_2 C75_2 C76_2 -143.1 . . . . ?
C56_2 C55_2 C75_2 C76_2 0.7 . . . . ?
C58_2 C57_2 C76_2 C77_2 0.1 . . . . ?
C56_2 C57_2 C76_2 C77_2 -143.5 . . . . ?
C58_2 C57_2 C76_2 C75_2 142.9 . . . . ?
C56_2 C57_2 C76_2 C75_2 -0.7 . . . . ?
C74_2 C75_2 C76_2 C77_2 1.6 . . . . ?
C55_2 C75_2 C76_2 C77_2 142.8 . . . . ?
C74_2 C75_2 C76_2 C57_2 -141.2 . . . . ?
C55_2 C75_2 C76_2 C57_2 0.0 . . . . ?
C57_2 C76_2 C77_2 C92_2 137.2 . . . . ?
C75_2 C76_2 C77_2 C92_2 -1.6 . . . . ?
C57_2 C76_2 C77_2 C78_2 1.0 . . . . ?
C75_2 C76_2 C77_2 C78_2 -137.7 . . . . ?
C60_2 C59_2 C78_2 C79_2 1.7 . . . . ?
C58_2 C59_2 C78_2 C79_2 -138.5 . . . . ?
C60_2 C59_2 C78_2 C77_2 139.3 . . . . ?
C58_2 C59_2 C78_2 C77_2 -1.0 . . . . ?
C76_2 C77_2 C78_2 C59_2 -0.6 . . . . ?
C92_2 C77_2 C78_2 C59_2 -143.5 . . . . ?
C76_2 C77_2 C78_2 C79_2 140.8 . . . . ?
C92_2 C77_2 C78_2 C79_2 -2.0 . . . . ?
C59_2 C78_2 C79_2 C80_2 -2.2 . . . . ?
C77_2 C78_2 C79_2 C80_2 -142.8 . . . . ?
C59_2 C78_2 C79_2 C93_2 141.8 . . . . ?
C77_2 C78_2 C79_2 C93_2 1.2 . . . . ?
C93_2 C79_2 C80_2 C61_2 -137.4 . . . . ?
C78_2 C79_2 C80_2 C61_2 1.9 . . . . ?
C93_2 C79_2 C80_2 C81_2 -0.3 . . . . ?
C78_2 C79_2 C80_2 C81_2 139.0 . . . . ?
C60_2 C61_2 C80_2 C79_2 -1.0 . . . . ?
C62_2 C61_2 C80_2 C79_2 141.4 . . . . ?
C60_2 C61_2 C80_2 C81_2 -142.2 . . . . ?
C62_2 C61_2 C80_2 C81_2 0.2 . . . . ?
C79_2 C80_2 C81_2 C95_2 0.4 . . . . ?
C61_2 C80_2 C81_2 C95_2 142.8 . . . . ?
C79_2 C80_2 C81_2 C82_2 -142.9 . . . . ?
C61_2 C80_2 C81_2 C82_2 -0.6 . . . . ?
C95_2 C81_2 C82_2 C83_2 0.4 . . . . ?
C80_2 C81_2 C82_2 C83_2 143.2 . . . . ?
C95_2 C81_2 C82_2 C62_2 -142.0 . . . . ?
C80_2 C81_2 C82_2 C62_2 0.8 . . . . ?
C63_2 C62_2 C82_2 C83_2 -0.9 . . . . ?
C61_2 C62_2 C82_2 C83_2 -143.2 . . . . ?
C63_2 C62_2 C82_2 C81_2 141.7 . . . . ?
C61_2 C62_2 C82_2 C81_2 -0.7 . . . . ?
C81_2 C82_2 C83_2 C65_2 -137.4 . . . . ?
C62_2 C82_2 C83_2 C65_2 1.0 . . . . ?
C81_2 C82_2 C83_2 C84_2 -0.2 . . . . ?
C62_2 C82_2 C83_2 C84_2 138.3 . . . . ?
C64_2 C65_2 C83_2 C82_2 -0.7 . . . . ?
C66_2 C65_2 C83_2 C82_2 141.7 . . . . ?
C64_2 C65_2 C83_2 C84_2 -141.9 . . . . ?
C66_2 C65_2 C83_2 C84_2 0.6 . . . . ?
C82_2 C83_2 C84_2 C96_2 0.0 . . . . ?
C65_2 C83_2 C84_2 C96_2 141.7 . . . . ?
C82_2 C83_2 C84_2 C85_2 -142.9 . . . . ?
C65_2 C83_2 C84_2 C85_2 -1.2 . . . . ?
C67_2 C66_2 C85_2 C86_2 1.5 . . . . ?
C65_2 C66_2 C85_2 C86_2 -142.4 . . . . ?
C67_2 C66_2 C85_2 C84_2 143.0 . . . . ?
C65_2 C66_2 C85_2 C84_2 -1.0 . . . . ?
C96_2 C84_2 C85_2 C86_2 -0.1 . . . . ?
C83_2 C84_2 C85_2 C86_2 143.1 . . . . ?
C96_2 C84_2 C85_2 C66_2 -141.8 . . . . ?
C83_2 C84_2 C85_2 C66_2 1.3 . . . . ?
C66_2 C85_2 C86_2 C87_2 137.2 . . . . ?
C84_2 C85_2 C86_2 C87_2 0.5 . . . . ?
C66_2 C85_2 C86_2 C69_2 -0.8 . . . . ?
C84_2 C85_2 C86_2 C69_2 -137.5 . . . . ?
C68_2 C69_2 C86_2 C85_2 0.0 . . . . ?
C70_2 C69_2 C86_2 C85_2 142.7 . . . . ?
C68_2 C69_2 C86_2 C87_2 -143.0 . . . . ?
C70_2 C69_2 C86_2 C87_2 -0.3 . . . . ?
C85_2 C86_2 C87_2 C97_2 0.1 . . . . ?
C69_2 C86_2 C87_2 C97_2 142.8 . . . . ?
C85_2 C86_2 C87_2 C88_2 -143.1 . . . . ?
C69_2 C86_2 C87_2 C88_2 -0.3 . . . . ?
C71_2 C70_2 C88_2 C89_2 1.0 . . . . ?
C69_2 C70_2 C88_2 C89_2 -142.5 . . . . ?
C71_2 C70_2 C88_2 C87_2 142.4 . . . . ?
C69_2 C70_2 C88_2 C87_2 -1.1 . . . . ?
C97_2 C87_2 C88_2 C89_2 -3.1 . . . . ?
C86_2 C87_2 C88_2 C89_2 140.0 . . . . ?
C97_2 C87_2 C88_2 C70_2 -142.2 . . . . ?
C86_2 C87_2 C88_2 C70_2 0.9 . . . . ?
C72_2 C73_2 C89_2 C88_2 0.8 . . . . ?
C74_2 C73_2 C89_2 C88_2 142.1 . . . . ?
C72_2 C73_2 C89_2 C90_2 -142.0 . . . . ?
C74_2 C73_2 C89_2 C90_2 -0.7 . . . . ?
C70_2 C88_2 C89_2 C73_2 -0.9 . . . . ?
C87_2 C88_2 C89_2 C73_2 -136.1 . . . . ?
C70_2 C88_2 C89_2 C90_2 140.0 . . . . ?
C87_2 C88_2 C89_2 C90_2 4.8 . . . . ?
C73_2 C89_2 C90_2 C98_2 141.2 . . . . ?
C88_2 C89_2 C90_2 C98_2 -4.8 . . . . ?
C73_2 C89_2 C90_2 C91_2 0.4 . . . . ?
C88_2 C89_2 C90_2 C91_2 -145.6 . . . . ?
C75_2 C74_2 C91_2 C92_2 1.7 . . . . ?
C73_2 C74_2 C91_2 C92_2 -142.2 . . . . ?
C75_2 C74_2 C91_2 C90_2 143.5 . . . . ?
C73_2 C74_2 C91_2 C90_2 -0.4 . . . . ?
C98_2 C90_2 C91_2 C74_2 -141.5 . . . . ?
C89_2 C90_2 C91_2 C74_2 0.0 . . . . ?
C98_2 C90_2 C91_2 C92_2 4.0 . . . . ?
C89_2 C90_2 C91_2 C92_2 145.6 . . . . ?
C74_2 C91_2 C92_2 C93_2 135.4 . . . . ?
C90_2 C91_2 C92_2 C93_2 -4.7 . . . . ?
C74_2 C91_2 C92_2 C77_2 -1.5 . . . . ?
C90_2 C91_2 C92_2 C77_2 -141.6 . . . . ?
C76_2 C77_2 C92_2 C91_2 1.5 . . . . ?
C78_2 C77_2 C92_2 C91_2 144.5 . . . . ?
C76_2 C77_2 C92_2 C93_2 -140.9 . . . . ?
C78_2 C77_2 C92_2 C93_2 2.2 . . . . ?
C80_2 C79_2 C93_2 C94_2 -0.5 . . . . ?
C78_2 C79_2 C93_2 C94_2 -143.3 . . . . ?
C80_2 C79_2 C93_2 C92_2 143.0 . . . . ?
C78_2 C79_2 C93_2 C92_2 0.2 . . . . ?
C91_2 C92_2 C93_2 C94_2 4.0 . . . . ?
C77_2 C92_2 C93_2 C94_2 142.6 . . . . ?
C91_2 C92_2 C93_2 C79_2 -140.1 . . . . ?
C77_2 C92_2 C93_2 C79_2 -1.5 . . . . ?
C79_2 C93_2 C94_2 C98_2 137.6 . . . . ?
C92_2 C93_2 C94_2 C98_2 -2.0 . . . . ?
C79_2 C93_2 C94_2 C95_2 1.1 . . . . ?
C92_2 C93_2 C94_2 C95_2 -138.6 . . . . ?
C82_2 C81_2 C95_2 C96_2 -0.4 . . . . ?
C80_2 C81_2 C95_2 C96_2 -138.9 . . . . ?
C82_2 C81_2 C95_2 C94_2 138.7 . . . . ?
C80_2 C81_2 C95_2 C94_2 0.2 . . . . ?
C93_2 C94_2 C95_2 C81_2 -1.0 . . . . ?
C98_2 C94_2 C95_2 C81_2 -142.4 . . . . ?
C93_2 C94_2 C95_2 C96_2 142.1 . . . . ?
C98_2 C94_2 C95_2 C96_2 0.7 . . . . ?
C83_2 C84_2 C96_2 C95_2 0.0 . . . . ?
C85_2 C84_2 C96_2 C95_2 138.5 . . . . ?
C83_2 C84_2 C96_2 C97_2 -139.3 . . . . ?
C85_2 C84_2 C96_2 C97_2 -0.8 . . . . ?
C81_2 C95_2 C96_2 C84_2 0.2 . . . . ?
C94_2 C95_2 C96_2 C84_2 -143.7 . . . . ?
C81_2 C95_2 C96_2 C97_2 143.7 . . . . ?
C94_2 C95_2 C96_2 C97_2 -0.2 . . . . ?
C86_2 C87_2 C97_2 C98_2 -138.5 . . . . ?
C88_2 C87_2 C97_2 C98_2 0.7 . . . . ?
C86_2 C87_2 C97_2 C96_2 -1.0 . . . . ?
C88_2 C87_2 C97_2 C96_2 138.2 . . . . ?
C84_2 C96_2 C97_2 C87_2 1.4 . . . . ?
C95_2 C96_2 C97_2 C87_2 -142.6 . . . . ?
C84_2 C96_2 C97_2 C98_2 143.7 . . . . ?
C95_2 C96_2 C97_2 C98_2 -0.3 . . . . ?
C89_2 C90_2 C98_2 C94_2 -136.1 . . . . ?
C91_2 C90_2 C98_2 C94_2 -2.5 . . . . ?
C89_2 C90_2 C98_2 C97_2 2.7 . . . . ?
C91_2 C90_2 C98_2 C97_2 136.4 . . . . ?
C93_2 C94_2 C98_2 C90_2 1.4 . . . . ?
C95_2 C94_2 C98_2 C90_2 141.9 . . . . ?
C93_2 C94_2 C98_2 C97_2 -141.3 . . . . ?
C95_2 C94_2 C98_2 C97_2 -0.8 . . . . ?
C87_2 C97_2 C98_2 C90_2 -0.6 . . . . ?
C96_2 C97_2 C98_2 C90_2 -142.8 . . . . ?
C87_2 C97_2 C98_2 C94_2 142.9 . . . . ?
C96_2 C97_2 C98_2 C94_2 0.7 . . . . ?

_refine_diff_density_max         1.838
_refine_diff_density_min         -1.372
_refine_diff_density_rms         0.162

_shelxl_version_number           2012-9



_database_code_depnum_ccdc_archive 'CCDC 1016154'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_(2)at296k
# Compound (2) at 296 K
_audit_creation_method           SHELXL-2012
_chemical_name_systematic        (2)at296K
_chemical_name_common            {Rh2(O2CCH3)4-N(CH2CH2)2NC60}n.nC60.2nCS2
_chemical_melting_point          ?
_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
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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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.
;

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'

_cell_length_a                   19.3895(10)
_cell_length_b                   19.8056(10)
_cell_length_c                   20.0289(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7691.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7540
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      20.58

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.830
_exptl_crystal_F_000             4224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.035
_exptl_absorpt_coefficient_mu    0.622
_shelx_estimated_absorpt_T_min   0.880
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6602
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            85351
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_av_R_equivalents  0.0947
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.289
_diffrn_reflns_theta_max         27.504
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9074
_reflns_number_gt                5848
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'

_refine_special_details          
;
 The free fullerene showed two different orientations at the room temprature. This unit is refined isotropically to avoid a large increase
in number of parameters. The solvent molecule gets more disordered at higher tempratures and was refined isotropically. RESI was used to model
two different orientations of free C60 fullerene.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.1567P)²+31.7963P]
 where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9074
_refine_ls_number_parameters     521
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1283
_refine_ls_R_factor_gt           0.0886
_refine_ls_wR_factor_ref         0.2898
_refine_ls_wR_factor_gt          0.2520
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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(3) 0.7087(3) 0.9374(3) 0.0312(12) Uani 1 1 d . . . . .
C2 C 0.0961(3) 0.6779(3) 0.8672(3) 0.0377(13) Uani 1 1 d . . . . .
C3 C 0.0860(3) 0.7128(4) 0.8091(3) 0.0418(15) Uani 1 1 d . . . . .
C4 C 0.1189(4) 0.6912(4) 0.7476(3) 0.055(2) Uani 1 1 d . . . . .
C5 C 0.1399(6) 0.7500 0.7117(5) 0.061(3) Uani 1 2 d S T P . .
C6 C 0.2001(7) 0.7500 0.6744(5) 0.071(4) Uani 1 2 d S T P . .
C7 C 0.2446(5) 0.6907(5) 0.6742(4) 0.070(3) Uani 1 1 d . . . . .
C8 C 0.3147(5) 0.7133(5) 0.6746(4) 0.070(2) Uani 1 1 d . . . . .
C9 C 0.3640(5) 0.6782(5) 0.7125(5) 0.070(3) Uani 1 1 d . . . . .
C10 C 0.4141(4) 0.7158(4) 0.7501(5) 0.066(2) Uani 1 1 d . . . . .
C11 C 0.4262(4) 0.6787(5) 0.8124(5) 0.072(3) Uani 1 1 d . . . . .
C12 C 0.4367(4) 0.7138(5) 0.8720(5) 0.068(2) Uani 1 1 d . . . . .
C13 C 0.4038(4) 0.6906(5) 0.9328(5) 0.068(2) Uani 1 1 d . . . . .
C14 C 0.3836(6) 0.7500 0.9707(7) 0.072(4) Uani 1 2 d S T P . .
C15 C 0.3219(6) 0.7500 1.0057(5) 0.061(3) Uani 1 2 d S T P . .
C16 C 0.2768(4) 0.6913(5) 1.0048(4) 0.056(2) Uani 1 1 d . . . . .
C17 C 0.2059(4) 0.7127(4) 1.0038(3) 0.0409(15) Uani 1 1 d . . . . .
C18 C 0.1571(3) 0.6779(3) 0.9681(3) 0.0364(13) Uani 1 1 d . . . . .
C19 C 0.1787(4) 0.6199(3) 0.9284(4) 0.0459(16) Uani 1 1 d . . . . .
C20 C 0.1414(4) 0.6209(3) 0.8675(4) 0.0452(16) Uani 1 1 d . . . . .
C21 C 0.1724(4) 0.5983(4) 0.8085(4) 0.057(2) Uani 1 1 d . . . . .
C22 C 0.1618(5) 0.6336(4) 0.7481(4) 0.061(2) Uani 1 1 d . . . . .
C23 C 0.2255(5) 0.6326(5) 0.7107(4) 0.070(3) Uani 1 1 d . . . . .
C24 C 0.2761(5) 0.5974(4) 0.7482(5) 0.070(3) Uani 1 1 d . . . . .
C25 C 0.3430(5) 0.6185(4) 0.7484(5) 0.073(3) Uani 1 1 d . . . . .
C26 C 0.3823(5) 0.6188(4) 0.8113(6) 0.072(3) Uani 1 1 d . . . . .
C27 C 0.3500(4) 0.5981(4) 0.8696(5) 0.071(3) Uani 1 1 d . . . . .
C28 C 0.3621(4) 0.6341(5) 0.9316(5) 0.069(3) Uani 1 1 d . . . . .
C29 C 0.2975(4) 0.6343(5) 0.9694(4) 0.061(2) Uani 1 1 d . . . . .
C30 C 0.2466(4) 0.5978(4) 0.9307(4) 0.0541(19) Uani 1 1 d . . . . .
C31 C 0.2774(5) 0.5750(4) 0.8666(6) 0.068(3) Uani 1 1 d . . . . .
C32 C 0.2423(5) 0.5745(4) 0.8088(5) 0.064(2) Uani 1 1 d . . . . .
C33 C -0.0329(3) 0.7112(3) 0.9391(3) 0.0359(13) Uani 1 1 d . . . . .
H33A H -0.0740 0.6950 0.9615 0.043 Uiso 1 1 calc R U . . .
H33B H -0.0340 0.6950 0.8934 0.043 Uiso 1 1 calc R U . . .
C34 C 0.0300(3) 0.7108(3) 1.0423(3) 0.0323(12) Uani 1 1 d . . . . .
H34A H 0.0707 0.6946 1.0655 0.039 Uiso 1 1 calc R U . . .
H34B H -0.0103 0.6946 1.0661 0.039 Uiso 1 1 calc R U . . .
C35 C 0.0332(4) 0.4770(3) 0.8762(3) 0.0440(15) Uani 1 1 d . . . . .
C36 C 0.0472(5) 0.4683(4) 0.8025(4) 0.062(2) Uani 1 1 d . . . . .
H36A H 0.0431 0.4215 0.7909 0.093 Uiso 1 1 calc R U . . .
H36B H 0.0930 0.4838 0.7926 0.093 Uiso 1 1 calc R U . . .
H36C H 0.0144 0.4942 0.7774 0.093 Uiso 1 1 calc R U . . .
C37 C 0.1248(4) 0.4876(3) 1.0463(3) 0.0425(15) Uani 1 1 d . . . . .
C38 C 0.1950(4) 0.4837(4) 1.0781(4) 0.059(2) Uani 1 1 d . . . . .
H38A H 0.2047 0.4378 1.0902 0.089 Uiso 1 1 calc R U . . .
H38B H 0.1959 0.5115 1.1173 0.089 Uiso 1 1 calc R U . . .
H38C H 0.2292 0.4993 1.0470 0.089 Uiso 1 1 calc R U . . .
N1 N 0.0295(2) 0.6837(2) 0.9734(2) 0.0295(10) Uani 1 1 d . . . . .
O1 O 0.0340(3) 0.5374(2) 0.8962(2) 0.0480(11) Uani 1 1 d . . . . .
O2 O 0.0209(3) 0.4260(2) 0.9111(3) 0.0493(12) Uani 1 1 d . . . . .
O3 O 0.1061(2) 0.5456(2) 1.0276(3) 0.0456(11) Uani 1 1 d . . . . .
O4 O 0.0902(3) 0.4341(2) 1.0407(3) 0.0511(12) Uani 1 1 d . . . . .
Rh1 Rh 0.00884(3) 0.55968(2) 0.99188(3) 0.0367(2) Uani 1 1 d . . . . .
C39_1 C 0.6381(5) 0.5879(4) 1.0876(4) 0.073(7) Uiso 0.246(5) 1 d G . P A -1
C40_1 C 0.6903(5) 0.5725(4) 1.1389(5) 0.056(8) Uiso 0.246(5) 1 d G . P A -1
C41_1 C 0.7576(5) 0.5946(4) 1.1147(5) 0.070(8) Uiso 0.246(5) 1 d G . P A -1
C42_1 C 0.7462(5) 0.6245(5) 1.0475(4) 0.067(10) Uiso 0.246(5) 1 d G . P A -1
C43_1 C 0.6732(5) 0.6205(4) 1.0328(4) 0.093(14) Uiso 0.246(5) 1 d G . P A -1
C44_1 C 0.6410(5) 0.6728(5) 0.9991(3) 0.090(18) Uiso 0.246(5) 1 d G . P A -1
C45_1 C 0.5722(5) 0.6959(5) 1.0187(4) 0.076(11) Uiso 0.246(5) 1 d G . P A -1
C46_1 C 0.5390(4) 0.6643(5) 1.0729(5) 0.20(2) Uiso 0.246(5) 1 d G . P A -1
C47_1 C 0.5729(5) 0.6098(4) 1.1088(5) 0.063(9) Uiso 0.246(5) 1 d G . P A -1
C48_1 C 0.5558(4) 0.6164(4) 1.1777(5) 0.049(7) Uiso 0.246(5) 1 d G . P A -1
C49_1 C 0.6063(5) 0.6013(4) 1.2266(4) 0.17(2) Uiso 0.246(5) 1 d G . P A -1
C50_1 C 0.6742(5) 0.5786(4) 1.2062(4) 0.11(3) Uiso 0.246(5) 1 d G . P A -1
C51_1 C 0.7248(5) 0.6087(4) 1.2517(4) 0.053(8) Uiso 0.246(5) 1 d G . P A -1
C52_1 C 0.7890(4) 0.6301(4) 1.2273(4) 0.107(17) Uiso 0.246(5) 1 d G . P A -1
C53_1 C 0.8049(4) 0.6232(5) 1.1568(5) 0.063(9) Uiso 0.246(5) 1 d G . P A -1
C54_1 C 0.8445(3) 0.6823(5) 1.1375(5) 0.078(13) Uiso 0.246(5) 1 d G . P A -1
C55_1 C 0.8341(4) 0.7105(6) 1.0752(5) 0.15(2) Uiso 0.246(5) 1 d G . P A -1
C56_1 C 0.7843(5) 0.6813(5) 1.0294(4) 0.086(13) Uiso 0.246(5) 1 d G . P A -1
C57_1 C 0.7505(5) 0.7418(5) 0.9939(3) 0.066(8) Uiso 0.246(5) 1 d G . P A -1
C58_1 C 0.6801(5) 0.7320(5) 0.9787(3) 0.11(3) Uiso 0.246(5) 1 d G . P A -1
C59_1 C 0.6369(5) 0.7909(5) 0.9873(3) 0.094(9) Uiso 0.246(5) 1 d G . P A -1
C60_1 C 0.5691(5) 0.7685(5) 1.0118(4) 0.13(5) Uiso 0.246(5) 1 d G . P A -1
C61_1 C 0.5337(4) 0.8077(5) 1.0581(4) 0.051(7) Uiso 0.246(5) 1 d G . P A -1
C62_1 C 0.4988(3) 0.7742(5) 1.1136(5) 0.10(2) Uiso 0.246(5) 1 d G . P A -1
C63_1 C 0.5017(3) 0.7052(5) 1.1205(5) 0.112(11) Uiso 0.246(5) 1 d G . P A -1
C64_1 C 0.5126(3) 0.6755(5) 1.1864(5) 0.065(11) Uiso 0.246(5) 1 d G . P A -1
C65_1 C 0.5202(3) 0.7171(5) 1.2425(5) 0.096(11) Uiso 0.246(5) 1 d G . P A -1
C66_1 C 0.5725(4) 0.7014(5) 1.2923(4) 0.076(11) Uiso 0.246(5) 1 d G . P A -1
C67_1 C 0.6147(5) 0.6450(4) 1.2849(4) 0.045(6) Uiso 0.246(5) 1 d G . P A -1
C68_1 C 0.6877(5) 0.6491(4) 1.3003(4) 0.053(7) Uiso 0.246(5) 1 d G . P A -1
C69_1 C 0.7163(5) 0.7094(5) 1.3231(3) 0.092(14) Uiso 0.246(5) 1 d G . P A -1
C70_1 C 0.7822(4) 0.7325(5) 1.2978(4) 0.09(3) Uiso 0.246(5) 1 d G . P A -1
C71_1 C 0.8180(4) 0.6933(5) 1.2512(4) 0.050(7) Uiso 0.246(5) 1 d G . P A -1
C72_1 C 0.8524(3) 0.7252(5) 1.1955(5) 0.11(2) Uiso 0.246(5) 1 d G . P A -1
C73_1 C 0.8507(3) 0.7961(5) 1.1885(5) 0.128(13) Uiso 0.246(5) 1 d G . P A -1
C74_1 C 0.8398(3) 0.8253(5) 1.1232(5) 0.072(12) Uiso 0.246(5) 1 d G . P A -1
C75_1 C 0.8325(4) 0.7843(6) 1.0676(5) 0.080(9) Uiso 0.246(5) 1 d G . P A -1
C76_1 C 0.7800(5) 0.7994(5) 1.0168(4) 0.084(13) Uiso 0.246(5) 1 d G . P A -1
C77_1 C 0.7377(5) 0.8567(5) 1.0249(4) 0.058(8) Uiso 0.246(5) 1 d G . P A -1
C78_1 C 0.6642(5) 0.8517(5) 1.0090(3) 0.063(9) Uiso 0.246(5) 1 d G . P A -1
C79_1 C 0.6273(5) 0.8928(4) 1.0587(4) 0.048(7) Uiso 0.246(5) 1 d G . P A -1
C80_1 C 0.5630(4) 0.8707(5) 1.0812(4) 0.099(15) Uiso 0.246(5) 1 d G . P A -1
C81_1 C 0.5468(4) 0.8772(5) 1.1523(5) 0.113(12) Uiso 0.246(5) 1 d G . P A -1
C82_1 C 0.5070(3) 0.8184(5) 1.1718(5) 0.092(17) Uiso 0.246(5) 1 d G . P A -1
C83_1 C 0.5169(3) 0.7895(5) 1.2353(5) 0.087(10) Uiso 0.246(5) 1 d G . P A -1
C84_1 C 0.5679(4) 0.8198(5) 1.2802(4) 0.062(9) Uiso 0.246(5) 1 d G . P A -1
C85_1 C 0.6020(5) 0.7649(5) 1.3167(3) 0.086(12) Uiso 0.246(5) 1 d G . P A -1
C86_1 C 0.6713(5) 0.7693(5) 1.3310(3) 0.091(7) Uiso 0.246(5) 1 d G . P A -1
C87_1 C 0.7112(5) 0.8279(4) 1.3111(3) 0.14(3) Uiso 0.246(5) 1 d G . P A -1
C88_1 C 0.7805(4) 0.8058(5) 1.2909(4) 0.085(13) Uiso 0.246(5) 1 d G . P A -1
C89_1 C 0.8126(4) 0.8366(5) 1.2368(5) 0.23(3) Uiso 0.246(5) 1 d G . P A -1
C90_1 C 0.7792(4) 0.8913(4) 1.2024(5) 0.053(7) Uiso 0.246(5) 1 d G . P A -1
C91_1 C 0.7953(4) 0.8843(5) 1.1311(5) 0.056(8) Uiso 0.246(5) 1 d G . P A -1
C92_1 C 0.7464(5) 0.8995(4) 1.0830(4) 0.20(3) Uiso 0.246(5) 1 d G . P A -1
C93_1 C 0.6769(5) 0.9217(4) 1.1036(4) 0.089(7) Uiso 0.246(5) 1 d G . P A -1
C94_1 C 0.6621(5) 0.9290(3) 1.1712(4) 0.044(6) Uiso 0.246(5) 1 d G . P A -1
C95_1 C 0.5954(5) 0.9056(4) 1.1956(4) 0.062(7) Uiso 0.246(5) 1 d G . P A -1
C96_1 C 0.6055(5) 0.8759(4) 1.2604(4) 0.055(8) Uiso 0.246(5) 1 d G . P A -1
C97_1 C 0.6790(5) 0.8805(4) 1.2769(4) 0.064(9) Uiso 0.246(5) 1 d G . P A -1
C98_1 C 0.7133(5) 0.9130(4) 1.2210(4) 0.051(7) Uiso 0.246(5) 1 d G . P A -1
C39_2 C 0.5307(5) 0.8288(5) 1.0806(5) 0.068(10) Uiso 0.254(5) 1 d G . P A -2
C40_2 C 0.5887(5) 0.8676(5) 1.0524(5) 0.106(15) Uiso 0.254(5) 1 d G . P A -2
C41_2 C 0.6165(5) 0.9116(4) 1.1043(5) 0.086(12) Uiso 0.254(5) 1 d G . P A -2
C42_2 C 0.5750(5) 0.8989(4) 1.1655(5) 0.082(12) Uiso 0.254(5) 1 d G . P A -2
C43_2 C 0.5239(4) 0.8479(5) 1.1497(5) 0.113(12) Uiso 0.254(5) 1 d G . P A -2
C44_2 C 0.5068(4) 0.7995(5) 1.1968(5) 0.058(8) Uiso 0.254(5) 1 d G . P A -2
C45_2 C 0.4962(3) 0.7290(5) 1.1773(6) 0.073(11) Uiso 0.254(5) 1 d G . P A -2
C46_2 C 0.5045(4) 0.7084(6) 1.1098(6) 0.112(11) Uiso 0.254(5) 1 d G . P A -2
C47_2 C 0.5226(4) 0.7615(6) 1.0604(5) 0.17(2) Uiso 0.254(5) 1 d G . P A -2
C48_2 C 0.5684(5) 0.7269(6) 1.0134(4) 0.08(3) Uiso 0.254(5) 1 d G . P A -2
C49_2 C 0.6232(6) 0.7683(6) 0.9864(4) 0.094(9) Uiso 0.254(5) 1 d G . P A -2
C50_2 C 0.6329(6) 0.8380(5) 1.0064(4) 0.12(3) Uiso 0.254(5) 1 d G . P A -2
C51_2 C 0.7073(6) 0.8503(5) 1.0118(4) 0.12(2) Uiso 0.254(5) 1 d G . P A -2
C52_2 C 0.7330(6) 0.8923(5) 1.0623(5) 0.20(3) Uiso 0.254(5) 1 d G . P A -2
C53_2 C 0.6859(6) 0.9228(4) 1.1100(5) 0.089(7) Uiso 0.254(5) 1 d G . P A -2
C54_2 C 0.7204(5) 0.9227(4) 1.1743(5) 0.110(16) Uiso 0.254(5) 1 d G . P A -2
C55_2 C 0.6821(5) 0.9109(4) 1.2314(5) 0.081(12) Uiso 0.254(5) 1 d G . P A -2
C56_2 C 0.6084(5) 0.8988(4) 1.2271(5) 0.062(7) Uiso 0.254(5) 1 d G . P A -2
C57_2 C 0.5906(5) 0.8476(5) 1.2767(4) 0.062(8) Uiso 0.254(5) 1 d G . P A -2
C58_2 C 0.5402(4) 0.7993(5) 1.2618(5) 0.087(10) Uiso 0.254(5) 1 d G . P A -2
C59_2 C 0.5517(5) 0.7286(5) 1.2812(5) 0.069(10) Uiso 0.254(5) 1 d G . P A -2
C60_2 C 0.5237(4) 0.6857(5) 1.2290(5) 0.096(11) Uiso 0.254(5) 1 d G . P A -2
C61_2 C 0.5579(5) 0.6262(5) 1.2128(5) 0.087(12) Uiso 0.254(5) 1 d G . P A -2
C62_2 C 0.5649(5) 0.6076(5) 1.1425(6) 0.112(18) Uiso 0.254(5) 1 d G . P A -2
C63_2 C 0.5390(4) 0.6487(5) 1.0932(5) 0.20(2) Uiso 0.254(5) 1 d G . P A -2
C64_2 C 0.5794(5) 0.6610(5) 1.0329(5) 0.115(17) Uiso 0.254(5) 1 d G . P A -2
C65_2 C 0.6445(6) 0.6312(5) 1.0252(4) 0.065(9) Uiso 0.254(5) 1 d G . P A -2
C66_2 C 0.7014(6) 0.6706(5) 0.9979(4) 0.080(12) Uiso 0.254(5) 1 d G . P A -2
C67_2 C 0.6919(6) 0.7357(6) 0.9791(3) 0.10(2) Uiso 0.254(5) 1 d G . P A -2
C68_2 C 0.7430(6) 0.7883(6) 0.9942(4) 0.083(12) Uiso 0.254(5) 1 d G . P A -2
C69_2 C 0.8031(5) 0.7718(6) 1.0279(5) 0.095(14) Uiso 0.254(5) 1 d G . P A -2
C70_2 C 0.8300(4) 0.8130(5) 1.0807(5) 0.080(9) Uiso 0.254(5) 1 d G . P A -2
C71_2 C 0.7957(5) 0.8729(5) 1.0971(6) 0.084(12) Uiso 0.254(5) 1 d G . P A -2
C72_2 C 0.7876(5) 0.8920(4) 1.1663(6) 0.13(2) Uiso 0.254(5) 1 d G . P A -2
C73_2 C 0.8150(4) 0.8509(5) 1.2172(6) 0.23(3) Uiso 0.254(5) 1 d G . P A -2
C74_2 C 0.7748(5) 0.8387(5) 1.2768(5) 0.114(17) Uiso 0.254(5) 1 d G . P A -2
C75_2 C 0.7105(5) 0.8682(5) 1.2848(4) 0.057(8) Uiso 0.254(5) 1 d G . P A -2
C76_2 C 0.6526(5) 0.8293(5) 1.3122(4) 0.077(11) Uiso 0.254(5) 1 d G . P A -2
C77_2 C 0.6622(6) 0.7665(5) 1.3308(3) 0.091(7) Uiso 0.254(5) 1 d G . P A -2
C78_2 C 0.6108(5) 0.7111(5) 1.3156(4) 0.101(15) Uiso 0.254(5) 1 d G . P A -2
C79_2 C 0.6477(5) 0.6486(5) 1.2979(4) 0.076(10) Uiso 0.254(5) 1 d G . P A -2
C80_2 C 0.6201(5) 0.6074(4) 1.2481(5) 0.17(2) Uiso 0.254(5) 1 d G . P A -2
C81_2 C 0.6673(5) 0.5767(4) 1.1997(5) 0.065(16) Uiso 0.254(5) 1 d G . P A -2
C82_2 C 0.6332(5) 0.5763(4) 1.1353(5) 0.094(14) Uiso 0.254(5) 1 d G . P A -2
C83_2 C 0.6717(5) 0.5880(4) 1.0769(5) 0.073(7) Uiso 0.254(5) 1 d G . P A -2
C84_2 C 0.7459(5) 0.6005(4) 1.0828(5) 0.070(8) Uiso 0.254(5) 1 d G . P A -2
C85_2 C 0.7648(5) 0.6514(5) 1.0328(4) 0.059(8) Uiso 0.254(5) 1 d G . P A -2
C86_2 C 0.8139(5) 0.6994(6) 1.0479(5) 0.15(2) Uiso 0.254(5) 1 d G . P A -2
C87_2 C 0.8476(4) 0.7000(6) 1.1125(5) 0.069(9) Uiso 0.254(5) 1 d G . P A -2
C88_2 C 0.8586(3) 0.7704(6) 1.1332(6) 0.075(11) Uiso 0.254(5) 1 d G . P A -2
C89_2 C 0.8490(4) 0.7917(6) 1.1997(6) 0.128(13) Uiso 0.254(5) 1 d G . P A -2
C90_2 C 0.8328(4) 0.7375(6) 1.2484(5) 0.122(16) Uiso 0.254(5) 1 d G . P A -2
C91_2 C 0.7843(5) 0.7731(5) 1.2965(4) 0.16(6) Uiso 0.254(5) 1 d G . P A -2
C92_2 C 0.7311(5) 0.7316(5) 1.3235(3) 0.080(11) Uiso 0.254(5) 1 d G . P A -2
C93_2 C 0.7204(5) 0.6610(5) 1.3026(4) 0.070(12) Uiso 0.254(5) 1 d G . P A -2
C94_2 C 0.7662(5) 0.6315(5) 1.2575(5) 0.089(12) Uiso 0.254(5) 1 d G . P A -2
C95_2 C 0.7383(5) 0.5889(4) 1.2047(5) 0.081(11) Uiso 0.254(5) 1 d G . P A -2
C96_2 C 0.7775(5) 0.6008(4) 1.1450(5) 0.071(10) Uiso 0.254(5) 1 d G . P A -2
C97_2 C 0.8303(4) 0.6514(5) 1.1600(5) 0.076(10) Uiso 0.254(5) 1 d G . P A -2
C98_2 C 0.8223(4) 0.6703(5) 1.2297(5) 0.062(9) Uiso 0.254(5) 1 d G . P A -2
S1A S 0.0446(5) 0.5660(4) 0.6206(5) 0.131(3) Uiso 0.5 1 d G . P B 1
S2A S 0.1262(6) 0.4308(4) 0.6145(6) 0.140(4) Uiso 0.5 1 d G . P B 1
C99A C 0.0859(4) 0.4990(4) 0.6168(4) 0.067(5) Uiso 0.5 1 d G . P B 1
S1B S 0.0179(8) 0.5408(8) 0.5791(10) 0.230(7) Uiso 0.5 1 d G . P C 2
S2B S 0.1383(7) 0.4541(7) 0.6360(7) 0.165(5) Uiso 0.5 1 d G . P C 2
C99B C 0.0785(6) 0.4979(6) 0.6066(6) 0.23(3) Uiso 0.5 1 d G . P C 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 1.501(7) . ?
C1 C18 1.527(8) . ?
C1 C2 1.535(8) . ?
C1 C1 1.636(11) 7_575 ?
C2 C3 1.367(9) . ?
C2 C20 1.430(10) . ?
C3 C4 1.451(9) . ?
C3 C3 1.474(14) 7_575 ?
C4 C22 1.412(12) . ?
C4 C5 1.430(10) . ?
C5 C6 1.385(16) . ?
C5 C4 1.430(10) 7_575 ?
C6 C7 1.456(12) . ?
C6 C7 1.456(12) 7_575 ?
C7 C23 1.413(13) . ?
C7 C8 1.432(13) . ?
C8 C9 1.405(14) . ?
C8 C8 1.45(2) 7_575 ?
C9 C10 1.438(14) . ?
C9 C25 1.442(13) . ?
C10 C10 1.355(17) 7_575 ?
C10 C11 1.467(13) . ?
C11 C12 1.396(14) . ?
C11 C26 1.459(13) . ?
C12 C12 1.434(19) 7_575 ?
C12 C13 1.450(12) . ?
C13 C28 1.381(13) . ?
C13 C14 1.453(12) . ?
C14 C15 1.389(17) . ?
C14 C13 1.453(12) 7_575 ?
C15 C16 1.454(11) 7_575 ?
C15 C16 1.454(11) . ?
C16 C29 1.391(12) . ?
C16 C17 1.439(10) . ?
C17 C18 1.372(10) . ?
C17 C17 1.477(14) 7_575 ?
C18 C19 1.457(9) . ?
C19 C30 1.389(10) . ?
C19 C20 1.418(11) . ?
C20 C21 1.399(9) . ?
C21 C22 1.412(12) . ?
C21 C32 1.434(12) . ?
C22 C23 1.446(11) . ?
C23 C24 1.417(14) . ?
C24 C25 1.364(13) . ?
C24 C32 1.451(12) . ?
C25 C26 1.473(14) . ?
C26 C27 1.387(13) . ?
C27 C28 1.451(14) . ?
C27 C31 1.482(13) . ?
C28 C29 1.465(11) . ?
C29 C30 1.448(13) . ?
C30 C31 1.486(11) . ?
C31 C32 1.344(14) . ?
C33 N1 1.493(8) . ?
C33 C33 1.538(12) 7_575 ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 N1 1.482(7) . ?
C34 C34 1.552(12) 7_575 ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 O2 1.252(8) . ?
C35 O1 1.262(8) . ?
C35 C36 1.509(10) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 O4 1.259(8) . ?
C37 O3 1.261(8) . ?
C37 C38 1.505(10) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
N1 Rh1 2.515(5) . ?
O1 Rh1 2.027(5) . ?
O2 Rh1 2.046(5) 5_567 ?
O3 Rh1 2.037(5) . ?
O4 Rh1 2.031(5) 5_567 ?
Rh1 O4 2.031(5) 5_567 ?
Rh1 O2 2.046(5) 5_567 ?
Rh1 Rh1 2.4109(10) 5_567 ?
C39_1 C47_1 1.4032 . ?
C39_1 C43_1 1.4423 . ?
C39_1 C40_1 1.4735 . ?
C40_1 C50_1 1.3888 . ?
C40_1 C41_1 1.4596 . ?
C41_1 C53_1 1.3683 . ?
C41_1 C42_1 1.4864 . ?
C42_1 C56_1 1.3948 . ?
C42_1 C43_1 1.4488 . ?
C43_1 C44_1 1.3853 . ?
C44_1 C58_1 1.4548 . ?
C44_1 C45_1 1.4638 . ?
C45_1 C46_1 1.4084 . ?
C45_1 C60_1 1.4455 . ?
C46_1 C63_1 1.4443 . ?
C46_1 C47_1 1.4549 . ?
C47_1 C48_1 1.4240 . ?
C48_1 C49_1 1.4171 . ?
C48_1 C64_1 1.4496 . ?
C49_1 C50_1 1.4499 . ?
C49_1 C67_1 1.4621 . ?
C50_1 C51_1 1.4664 . ?
C51_1 C52_1 1.4021 . ?
C51_1 C68_1 1.4521 . ?
C52_1 C53_1 1.4529 . ?
C52_1 C71_1 1.4530 . ?
C53_1 C54_1 1.4520 . ?
C54_1 C55_1 1.3831 . ?
C54_1 C72_1 1.4470 . ?
C55_1 C56_1 1.4516 . ?
C55_1 C75_1 1.4702 . ?
C56_1 C57_1 1.5394 . ?
C57_1 C76_1 1.3573 . ?
C57_1 C58_1 1.4113 . ?
C58_1 C59_1 1.4476 . ?
C59_1 C78_1 1.3851 . ?
C59_1 C60_1 1.4710 . ?
C60_1 C61_1 1.3913 . ?
C61_1 C80_1 1.4469 . ?
C61_1 C62_1 1.4616 . ?
C62_1 C63_1 1.3756 . ?
C62_1 C82_1 1.4669 . ?
C63_1 C64_1 1.4595 . ?
C64_1 C65_1 1.4007 . ?
C65_1 C83_1 1.4430 . ?
C65_1 C66_1 1.4565 . ?
C66_1 C67_1 1.3938 . ?
C66_1 C85_1 1.4645 . ?
C67_1 C68_1 1.4509 . ?
C68_1 C69_1 1.3941 . ?
C69_1 C70_1 1.4487 . ?
C69_1 C86_1 1.4805 . ?
C70_1 C71_1 1.3984 . ?
C70_1 C88_1 1.4594 . ?
C71_1 C72_1 1.4454 . ?
C72_1 C73_1 1.4097 . ?
C73_1 C74_1 1.4466 . ?
C73_1 C89_1 1.4572 . ?
C74_1 C75_1 1.3859 . ?
C74_1 C91_1 1.4605 . ?
C75_1 C76_1 1.4685 . ?
C76_1 C77_1 1.4097 . ?
C77_1 C92_1 1.4487 . ?
C77_1 C78_1 1.4648 . ?
C78_1 C79_1 1.4717 . ?
C79_1 C80_1 1.3971 . ?
C79_1 C93_1 1.4350 . ?
C80_1 C81_1 1.4634 . ?
C81_1 C95_1 1.3998 . ?
C81_1 C82_1 1.4513 . ?
C82_1 C83_1 1.4069 . ?
C83_1 C84_1 1.4641 . ?
C84_1 C96_1 1.3882 . ?
C84_1 C85_1 1.4673 . ?
C85_1 C86_1 1.3789 . ?
C86_1 C87_1 1.4495 . ?
C87_1 C97_1 1.3947 . ?
C87_1 C88_1 1.4705 . ?
C88_1 C89_1 1.3908 . ?
C89_1 C90_1 1.4368 . ?
C90_1 C98_1 1.3987 . ?
C90_1 C91_1 1.4677 . ?
C91_1 C92_1 1.3861 . ?
C92_1 C93_1 1.4758 . ?
C93_1 C94_1 1.3924 . ?
C94_1 C98_1 1.4432 . ?
C94_1 C95_1 1.4576 . ?
C95_1 C96_1 1.4373 . ?
C96_1 C97_1 1.4641 . ?
C97_1 C98_1 1.4528 . ?
C39_2 C47_2 1.4026 . ?
C39_2 C43_2 1.4419 . ?
C39_2 C40_2 1.4739 . ?
C40_2 C50_2 1.3895 . ?
C40_2 C41_2 1.4589 . ?
C41_2 C53_2 1.3688 . ?
C41_2 C42_2 1.4867 . ?
C42_2 C56_2 1.3941 . ?
C42_2 C43_2 1.4489 . ?
C43_2 C44_2 1.3849 . ?
C44_2 C58_2 1.4542 . ?
C44_2 C45_2 1.4637 . ?
C45_2 C46_2 1.4213 . ?
C45_2 C60_2 1.4451 . ?
C46_2 C63_2 1.3988 . ?
C46_2 C47_2 1.4857 . ?
C47_2 C48_2 1.4641 . ?
C48_2 C64_2 1.3798 . ?
C48_2 C49_2 1.4464 . ?
C49_2 C50_2 1.4496 . ?
C49_2 C67_2 1.4873 . ?
C50_2 C51_2 1.4669 . ?
C51_2 C52_2 1.4016 . ?
C51_2 C68_2 1.4526 . ?
C52_2 C71_2 1.4528 . ?
C52_2 C53_2 1.4532 . ?
C53_2 C54_2 1.4514 . ?
C54_2 C55_2 1.3833 . ?
C54_2 C72_2 1.4481 . ?
C55_2 C56_2 1.4523 . ?
C55_2 C75_2 1.4697 . ?
C56_2 C57_2 1.4605 . ?
C57_2 C58_2 1.3997 . ?
C57_2 C76_2 1.4435 . ?
C58_2 C59_2 1.4710 . ?
C59_2 C78_2 1.3800 . ?
C59_2 C60_2 1.4524 . ?
C60_2 C61_2 1.3917 . ?
C61_2 C80_2 1.4473 . ?
C61_2 C62_2 1.4610 . ?
C62_2 C63_2 1.3752 . ?
C62_2 C82_2 1.4680 . ?
C63_2 C64_2 1.4597 . ?
C64_2 C65_2 1.4016 . ?
C65_2 C83_2 1.4429 . ?
C65_2 C66_2 1.4564 . ?
C66_2 C67_2 1.3556 . ?
C66_2 C85_2 1.4650 . ?
C67_2 C68_2 1.4687 . ?
C68_2 C69_2 1.3855 . ?
C69_2 C70_2 1.4340 . ?
C69_2 C86_2 1.5053 . ?
C70_2 C71_2 1.3988 . ?
C70_2 C88_2 1.4591 . ?
C71_2 C72_2 1.4452 . ?
C72_2 C73_2 1.4091 . ?
C73_2 C89_2 1.3908 . ?
C73_2 C74_2 1.4470 . ?
C74_2 C91_2 1.3691 . ?
C74_2 C75_2 1.3867 . ?
C75_2 C76_2 1.4688 . ?
C76_2 C77_2 1.3119 . ?
C77_2 C92_2 1.5122 . ?
C77_2 C78_2 1.5128 . ?
C78_2 C79_2 1.4721 . ?
C79_2 C80_2 1.3962 . ?
C79_2 C93_2 1.4353 . ?
C80_2 C81_2 1.4645 . ?
C81_2 C95_2 1.4002 . ?
C81_2 C82_2 1.4507 . ?
C82_2 C83_2 1.4070 . ?
C83_2 C84_2 1.4647 . ?
C84_2 C96_2 1.3873 . ?
C84_2 C85_2 1.4674 . ?
C85_2 C86_2 1.3784 . ?
C86_2 C87_2 1.4493 . ?
C87_2 C97_2 1.3942 . ?
C87_2 C88_2 1.4699 . ?
C88_2 C89_2 1.4103 . ?
C89_2 C90_2 1.4834 . ?
C90_2 C98_2 1.3981 . ?
C90_2 C91_2 1.5194 . ?
C91_2 C92_2 1.4248 . ?
C92_2 C93_2 1.4754 . ?
C93_2 C94_2 1.3936 . ?
C94_2 C98_2 1.4430 . ?
C94_2 C95_2 1.4566 . ?
C95_2 C96_2 1.4378 . ?
C96_2 C97_2 1.4639 . ?
C97_2 C98_2 1.4529 . ?
S1A C99A 1.5517 . ?
S2A C99A 1.5619 . ?
S1B C99B 1.5517 . ?
S2B C99B 1.5619 . ?

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
N1 C1 C18 110.0(5) . . ?
N1 C1 C2 110.3(5) . . ?
C18 C1 C2 99.8(5) . . ?
N1 C1 C1 109.3(3) . 7_575 ?
C18 C1 C1 113.6(3) . 7_575 ?
C2 C1 C1 113.5(3) . 7_575 ?
C3 C2 C20 119.4(6) . . ?
C3 C2 C1 124.8(6) . . ?
C20 C2 C1 109.8(6) . . ?
C2 C3 C4 120.6(7) . . ?
C2 C3 C3 120.4(4) . 7_575 ?
C4 C3 C3 107.2(4) . 7_575 ?
C22 C4 C5 119.6(8) . . ?
C22 C4 C3 119.4(7) . . ?
C5 C4 C3 108.2(7) . . ?
C6 C5 C4 120.8(6) . 7_575 ?
C6 C5 C4 120.8(6) . . ?
C4 C5 C4 109.2(9) 7_575 . ?
C5 C6 C7 120.0(6) . . ?
C5 C6 C7 120.0(6) . 7_575 ?
C7 C6 C7 107.4(12) . 7_575 ?
C23 C7 C8 120.0(10) . . ?
C23 C7 C6 120.1(8) . . ?
C8 C7 C6 108.1(9) . . ?
C9 C8 C7 119.5(9) . . ?
C9 C8 C8 119.7(6) . 7_575 ?
C7 C8 C8 108.2(6) . 7_575 ?
C8 C9 C10 119.1(9) . . ?
C8 C9 C25 119.0(9) . . ?
C10 C9 C25 110.8(9) . . ?
C10 C10 C9 121.2(6) 7_575 . ?
C10 C10 C11 120.0(5) 7_575 . ?
C9 C10 C11 107.1(8) . . ?
C12 C11 C26 120.2(9) . . ?
C12 C11 C10 120.1(9) . . ?
C26 C11 C10 107.6(9) . . ?
C11 C12 C12 119.9(6) . 7_575 ?
C11 C12 C13 119.7(9) . . ?
C12 C12 C13 108.5(6) 7_575 . ?
C28 C13 C12 120.0(9) . . ?
C28 C13 C14 120.5(8) . . ?
C12 C13 C14 107.5(9) . . ?
C15 C14 C13 119.8(6) . 7_575 ?
C15 C14 C13 119.8(6) . . ?
C13 C14 C13 108.1(12) 7_575 . ?
C14 C15 C16 120.7(6) . 7_575 ?
C14 C15 C16 120.7(6) . . ?
C16 C15 C16 106.2(10) 7_575 . ?
C29 C16 C17 120.5(8) . . ?
C29 C16 C15 118.9(8) . . ?
C17 C16 C15 109.7(8) . . ?
C18 C17 C16 121.2(7) . . ?
C18 C17 C17 120.2(4) . 7_575 ?
C16 C17 C17 107.2(5) . 7_575 ?
C17 C18 C19 118.9(6) . . ?
C17 C18 C1 125.2(6) . . ?
C19 C18 C1 109.4(6) . . ?
C30 C19 C20 121.1(7) . . ?
C30 C19 C18 120.1(7) . . ?
C20 C19 C18 108.2(6) . . ?
C21 C20 C19 120.2(7) . . ?
C21 C20 C2 120.8(7) . . ?
C19 C20 C2 109.1(6) . . ?
C20 C21 C22 120.2(7) . . ?
C20 C21 C32 120.5(8) . . ?
C22 C21 C32 107.7(7) . . ?
C21 C22 C4 119.5(7) . . ?
C21 C22 C23 108.2(9) . . ?
C4 C22 C23 120.8(8) . . ?
C7 C23 C24 119.6(9) . . ?
C7 C23 C22 118.7(9) . . ?
C24 C23 C22 108.8(8) . . ?
C25 C24 C23 120.6(9) . . ?
C25 C24 C32 121.6(10) . . ?
C23 C24 C32 106.6(8) . . ?
C24 C25 C9 121.1(10) . . ?
C24 C25 C26 119.8(9) . . ?
C9 C25 C26 106.1(9) . . ?
C27 C26 C11 119.4(10) . . ?
C27 C26 C25 119.0(9) . . ?
C11 C26 C25 108.5(8) . . ?
C26 C27 C28 120.1(9) . . ?
C26 C27 C31 119.1(10) . . ?
C28 C27 C31 109.9(8) . . ?
C13 C28 C27 120.5(9) . . ?
C13 C28 C29 119.4(9) . . ?
C27 C28 C29 107.8(8) . . ?
C16 C29 C30 118.9(7) . . ?
C16 C29 C28 120.8(9) . . ?
C30 C29 C28 107.7(8) . . ?
C19 C30 C29 120.4(7) . . ?
C19 C30 C31 116.6(8) . . ?
C29 C30 C31 110.0(7) . . ?
C32 C31 C27 121.3(9) . . ?
C32 C31 C30 122.9(8) . . ?
C27 C31 C30 104.6(9) . . ?
C31 C32 C21 118.7(7) . . ?
C31 C32 C24 119.3(9) . . ?
C21 C32 C24 108.7(9) . . ?
N1 C33 C33 111.4(3) . 7_575 ?
N1 C33 H33A 109.3 . . ?
C33 C33 H33A 109.3 7_575 . ?
N1 C33 H33B 109.3 . . ?
C33 C33 H33B 109.3 7_575 . ?
H33A C33 H33B 108.0 . . ?
N1 C34 C34 111.3(3) . 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 126.1(6) . . ?
O2 C35 C36 119.3(6) . . ?
O1 C35 C36 114.6(6) . . ?
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 125.9(6) . . ?
O4 C37 C38 118.5(6) . . ?
O3 C37 C38 115.6(6) . . ?
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 . . ?
C34 N1 C33 107.6(4) . . ?
C34 N1 C1 108.8(4) . . ?
C33 N1 C1 108.4(4) . . ?
C34 N1 Rh1 102.6(3) . . ?
C33 N1 Rh1 107.2(3) . . ?
C1 N1 Rh1 121.5(3) . . ?
C35 O1 Rh1 120.2(4) . . ?
C35 O2 Rh1 118.2(4) . 5_567 ?
C37 O3 Rh1 119.7(4) . . ?
C37 O4 Rh1 118.8(4) . 5_567 ?
O1 Rh1 O4 86.4(2) . 5_567 ?
O1 Rh1 O3 94.6(2) . . ?
O4 Rh1 O3 175.15(19) 5_567 . ?
O1 Rh1 O2 174.89(18) . 5_567 ?
O4 Rh1 O2 91.7(2) 5_567 5_567 ?
O3 Rh1 O2 86.9(2) . 5_567 ?
O1 Rh1 Rh1 87.05(14) . 5_567 ?
O4 Rh1 Rh1 88.18(14) 5_567 5_567 ?
O3 Rh1 Rh1 87.12(13) . 5_567 ?
O2 Rh1 Rh1 88.14(14) 5_567 5_567 ?
O1 Rh1 N1 91.98(17) . . ?
O4 Rh1 N1 92.52(18) 5_567 . ?
O3 Rh1 N1 92.20(18) . . ?
O2 Rh1 N1 92.84(17) 5_567 . ?
Rh1 Rh1 N1 178.77(11) 5_567 . ?
C47_1 C39_1 C43_1 121.1 . . ?
C47_1 C39_1 C40_1 118.2 . . ?
C43_1 C39_1 C40_1 107.5 . . ?
C50_1 C40_1 C41_1 119.8 . . ?
C50_1 C40_1 C39_1 120.2 . . ?
C41_1 C40_1 C39_1 108.7 . . ?
C53_1 C41_1 C40_1 121.3 . . ?
C53_1 C41_1 C42_1 119.5 . . ?
C40_1 C41_1 C42_1 106.7 . . ?
C56_1 C42_1 C43_1 120.6 . . ?
C56_1 C42_1 C41_1 118.6 . . ?
C43_1 C42_1 C41_1 107.9 . . ?
C44_1 C43_1 C39_1 119.5 . . ?
C44_1 C43_1 C42_1 119.9 . . ?
C39_1 C43_1 C42_1 109.3 . . ?
C43_1 C44_1 C58_1 120.3 . . ?
C43_1 C44_1 C45_1 120.9 . . ?
C58_1 C44_1 C45_1 107.4 . . ?
C46_1 C45_1 C60_1 119.8 . . ?
C46_1 C45_1 C44_1 119.0 . . ?
C60_1 C45_1 C44_1 108.8 . . ?
C45_1 C46_1 C63_1 119.3 . . ?
C45_1 C46_1 C47_1 120.2 . . ?
C63_1 C46_1 C47_1 108.3 . . ?
C39_1 C47_1 C48_1 122.1 . . ?
C39_1 C47_1 C46_1 119.2 . . ?
C48_1 C47_1 C46_1 107.8 . . ?
C49_1 C48_1 C47_1 119.3 . . ?
C49_1 C48_1 C64_1 119.1 . . ?
C47_1 C48_1 C64_1 109.0 . . ?
C48_1 C49_1 C50_1 119.8 . . ?
C48_1 C49_1 C67_1 120.3 . . ?
C50_1 C49_1 C67_1 107.8 . . ?
C40_1 C50_1 C49_1 120.4 . . ?
C40_1 C50_1 C51_1 119.2 . . ?
C49_1 C50_1 C51_1 107.9 . . ?
C52_1 C51_1 C68_1 120.5 . . ?
C52_1 C51_1 C50_1 120.1 . . ?
C68_1 C51_1 C50_1 108.0 . . ?
C51_1 C52_1 C53_1 119.9 . . ?
C51_1 C52_1 C71_1 119.2 . . ?
C53_1 C52_1 C71_1 108.6 . . ?
C41_1 C53_1 C54_1 121.7 . . ?
C41_1 C53_1 C52_1 119.7 . . ?
C54_1 C53_1 C52_1 107.1 . . ?
C55_1 C54_1 C72_1 120.2 . . ?
C55_1 C54_1 C53_1 119.2 . . ?
C72_1 C54_1 C53_1 108.5 . . ?
C54_1 C55_1 C56_1 120.4 . . ?
C54_1 C55_1 C75_1 119.9 . . ?
C56_1 C55_1 C75_1 108.5 . . ?
C42_1 C56_1 C55_1 120.7 . . ?
C42_1 C56_1 C57_1 121.5 . . ?
C55_1 C56_1 C57_1 105.4 . . ?
C76_1 C57_1 C58_1 126.6 . . ?
C76_1 C57_1 C56_1 108.5 . . ?
C58_1 C57_1 C56_1 113.8 . . ?
C57_1 C58_1 C59_1 115.1 . . ?
C57_1 C58_1 C44_1 123.7 . . ?
C59_1 C58_1 C44_1 108.3 . . ?
C78_1 C59_1 C58_1 121.1 . . ?
C78_1 C59_1 C60_1 119.9 . . ?
C58_1 C59_1 C60_1 108.3 . . ?
C61_1 C60_1 C45_1 120.8 . . ?
C61_1 C60_1 C59_1 119.7 . . ?
C45_1 C60_1 C59_1 107.2 . . ?
C60_1 C61_1 C80_1 120.1 . . ?
C60_1 C61_1 C62_1 118.8 . . ?
C80_1 C61_1 C62_1 109.2 . . ?
C63_1 C62_1 C61_1 120.6 . . ?
C63_1 C62_1 C82_1 120.5 . . ?
C61_1 C62_1 C82_1 106.5 . . ?
C62_1 C63_1 C46_1 120.7 . . ?
C62_1 C63_1 C64_1 119.8 . . ?
C46_1 C63_1 C64_1 107.4 . . ?
C65_1 C64_1 C48_1 120.7 . . ?
C65_1 C64_1 C63_1 120.3 . . ?
C48_1 C64_1 C63_1 107.4 . . ?
C64_1 C65_1 C83_1 120.0 . . ?
C64_1 C65_1 C66_1 119.8 . . ?
C83_1 C65_1 C66_1 108.1 . . ?
C67_1 C66_1 C65_1 120.5 . . ?
C67_1 C66_1 C85_1 119.7 . . ?
C65_1 C66_1 C85_1 108.4 . . ?
C66_1 C67_1 C68_1 120.3 . . ?
C66_1 C67_1 C49_1 119.6 . . ?
C68_1 C67_1 C49_1 108.3 . . ?
C69_1 C68_1 C67_1 120.4 . . ?
C69_1 C68_1 C51_1 119.6 . . ?
C67_1 C68_1 C51_1 108.0 . . ?
C68_1 C69_1 C70_1 120.5 . . ?
C68_1 C69_1 C86_1 119.2 . . ?
C70_1 C69_1 C86_1 107.7 . . ?
C71_1 C70_1 C69_1 119.7 . . ?
C71_1 C70_1 C88_1 120.0 . . ?
C69_1 C70_1 C88_1 109.1 . . ?
C70_1 C71_1 C72_1 120.0 . . ?
C70_1 C71_1 C52_1 120.5 . . ?
C72_1 C71_1 C52_1 107.6 . . ?
C73_1 C72_1 C71_1 120.1 . . ?
C73_1 C72_1 C54_1 120.2 . . ?
C71_1 C72_1 C54_1 108.2 . . ?
C72_1 C73_1 C74_1 119.4 . . ?
C72_1 C73_1 C89_1 119.6 . . ?
C74_1 C73_1 C89_1 107.7 . . ?
C75_1 C74_1 C73_1 120.5 . . ?
C75_1 C74_1 C91_1 119.7 . . ?
C73_1 C74_1 C91_1 108.0 . . ?
C74_1 C75_1 C76_1 120.5 . . ?
C74_1 C75_1 C55_1 119.8 . . ?
C76_1 C75_1 C55_1 106.8 . . ?
C57_1 C76_1 C77_1 118.1 . . ?
C57_1 C76_1 C75_1 110.8 . . ?
C77_1 C76_1 C75_1 119.2 . . ?
C76_1 C77_1 C92_1 119.7 . . ?
C76_1 C77_1 C78_1 119.1 . . ?
C92_1 C77_1 C78_1 109.1 . . ?
C59_1 C78_1 C77_1 120.0 . . ?
C59_1 C78_1 C79_1 120.5 . . ?
C77_1 C78_1 C79_1 106.7 . . ?
C80_1 C79_1 C93_1 121.4 . . ?
C80_1 C79_1 C78_1 118.6 . . ?
C93_1 C79_1 C78_1 108.6 . . ?
C79_1 C80_1 C61_1 121.2 . . ?
C79_1 C80_1 C81_1 118.5 . . ?
C61_1 C80_1 C81_1 107.7 . . ?
C95_1 C81_1 C82_1 120.9 . . ?
C95_1 C81_1 C80_1 119.6 . . ?
C82_1 C81_1 C80_1 107.8 . . ?
C83_1 C82_1 C81_1 119.8 . . ?
C83_1 C82_1 C62_1 119.4 . . ?
C81_1 C82_1 C62_1 108.8 . . ?
C82_1 C83_1 C65_1 120.0 . . ?
C82_1 C83_1 C84_1 118.8 . . ?
C65_1 C83_1 C84_1 108.4 . . ?
C96_1 C84_1 C83_1 120.5 . . ?
C96_1 C84_1 C85_1 119.9 . . ?
C83_1 C84_1 C85_1 107.8 . . ?
C86_1 C85_1 C66_1 120.4 . . ?
C86_1 C85_1 C84_1 119.7 . . ?
C66_1 C85_1 C84_1 107.2 . . ?
C85_1 C86_1 C87_1 120.9 . . ?
C85_1 C86_1 C69_1 120.0 . . ?
C87_1 C86_1 C69_1 107.3 . . ?
C97_1 C87_1 C86_1 119.7 . . ?
C97_1 C87_1 C88_1 119.8 . . ?
C86_1 C87_1 C88_1 109.0 . . ?
C89_1 C88_1 C70_1 120.0 . . ?
C89_1 C88_1 C87_1 119.5 . . ?
C70_1 C88_1 C87_1 106.9 . . ?
C88_1 C89_1 C90_1 120.1 . . ?
C88_1 C89_1 C73_1 120.1 . . ?
C90_1 C89_1 C73_1 109.1 . . ?
C98_1 C90_1 C89_1 121.1 . . ?
C98_1 C90_1 C91_1 118.8 . . ?
C89_1 C90_1 C91_1 107.4 . . ?
C92_1 C91_1 C74_1 120.2 . . ?
C92_1 C91_1 C90_1 120.8 . . ?
C74_1 C91_1 C90_1 107.9 . . ?
C91_1 C92_1 C77_1 120.7 . . ?
C91_1 C92_1 C93_1 119.6 . . ?
C77_1 C92_1 C93_1 107.0 . . ?
C94_1 C93_1 C79_1 120.8 . . ?
C94_1 C93_1 C92_1 119.5 . . ?
C79_1 C93_1 C92_1 108.6 . . ?
C93_1 C94_1 C98_1 120.5 . . ?
C93_1 C94_1 C95_1 118.5 . . ?
C98_1 C94_1 C95_1 107.9 . . ?
C81_1 C95_1 C96_1 119.2 . . ?
C81_1 C95_1 C94_1 121.1 . . ?
C96_1 C95_1 C94_1 108.2 . . ?
C84_1 C96_1 C95_1 120.9 . . ?
C84_1 C96_1 C97_1 119.8 . . ?
C95_1 C96_1 C97_1 108.1 . . ?
C87_1 C97_1 C98_1 120.2 . . ?
C87_1 C97_1 C96_1 120.0 . . ?
C98_1 C97_1 C96_1 107.4 . . ?
C90_1 C98_1 C94_1 120.9 . . ?
C90_1 C98_1 C97_1 119.2 . . ?
C94_1 C98_1 C97_1 108.3 . . ?
C47_2 C39_2 C43_2 121.1 . . ?
C47_2 C39_2 C40_2 118.2 . . ?
C43_2 C39_2 C40_2 107.5 . . ?
C50_2 C40_2 C41_2 119.8 . . ?
C50_2 C40_2 C39_2 120.2 . . ?
C41_2 C40_2 C39_2 108.7 . . ?
C53_2 C41_2 C40_2 121.3 . . ?
C53_2 C41_2 C42_2 119.5 . . ?
C40_2 C41_2 C42_2 106.6 . . ?
C56_2 C42_2 C43_2 120.6 . . ?
C56_2 C42_2 C41_2 118.5 . . ?
C43_2 C42_2 C41_2 108.0 . . ?
C44_2 C43_2 C39_2 119.5 . . ?
C44_2 C43_2 C42_2 119.9 . . ?
C39_2 C43_2 C42_2 109.2 . . ?
C43_2 C44_2 C58_2 120.3 . . ?
C43_2 C44_2 C45_2 120.9 . . ?
C58_2 C44_2 C45_2 107.3 . . ?
C46_2 C45_2 C60_2 117.9 . . ?
C46_2 C45_2 C44_2 120.7 . . ?
C60_2 C45_2 C44_2 108.9 . . ?
C63_2 C46_2 C45_2 121.6 . . ?
C63_2 C46_2 C47_2 109.1 . . ?
C45_2 C46_2 C47_2 117.3 . . ?
C39_2 C47_2 C48_2 124.2 . . ?
C39_2 C47_2 C46_2 120.4 . . ?
C48_2 C47_2 C46_2 104.0 . . ?
C64_2 C48_2 C49_2 121.9 . . ?
C64_2 C48_2 C47_2 110.7 . . ?
C49_2 C48_2 C47_2 114.9 . . ?
C48_2 C49_2 C50_2 122.2 . . ?
C48_2 C49_2 C67_2 116.7 . . ?
C50_2 C49_2 C67_2 108.9 . . ?
C40_2 C50_2 C49_2 120.4 . . ?
C40_2 C50_2 C51_2 119.2 . . ?
C49_2 C50_2 C51_2 107.9 . . ?
C52_2 C51_2 C68_2 120.5 . . ?
C52_2 C51_2 C50_2 120.1 . . ?
C68_2 C51_2 C50_2 108.0 . . ?
C51_2 C52_2 C71_2 119.2 . . ?
C51_2 C52_2 C53_2 119.9 . . ?
C71_2 C52_2 C53_2 108.7 . . ?
C41_2 C53_2 C54_2 121.7 . . ?
C41_2 C53_2 C52_2 119.8 . . ?
C54_2 C53_2 C52_2 107.1 . . ?
C55_2 C54_2 C72_2 120.2 . . ?
C55_2 C54_2 C53_2 119.2 . . ?
C72_2 C54_2 C53_2 108.5 . . ?
C54_2 C55_2 C56_2 120.4 . . ?
C54_2 C55_2 C75_2 119.9 . . ?
C56_2 C55_2 C75_2 108.5 . . ?
C42_2 C56_2 C55_2 120.7 . . ?
C42_2 C56_2 C57_2 119.6 . . ?
C55_2 C56_2 C57_2 107.8 . . ?
C58_2 C57_2 C76_2 120.9 . . ?
C58_2 C57_2 C56_2 119.7 . . ?
C76_2 C57_2 C56_2 108.3 . . ?
C57_2 C58_2 C44_2 120.0 . . ?
C57_2 C58_2 C59_2 119.3 . . ?
C44_2 C58_2 C59_2 107.9 . . ?
C78_2 C59_2 C60_2 121.6 . . ?
C78_2 C59_2 C58_2 119.8 . . ?
C60_2 C59_2 C58_2 108.0 . . ?
C61_2 C60_2 C45_2 120.8 . . ?
C61_2 C60_2 C59_2 119.0 . . ?
C45_2 C60_2 C59_2 107.9 . . ?
C60_2 C61_2 C80_2 120.1 . . ?
C60_2 C61_2 C62_2 118.9 . . ?
C80_2 C61_2 C62_2 109.2 . . ?
C63_2 C62_2 C61_2 120.6 . . ?
C63_2 C62_2 C82_2 120.6 . . ?
C61_2 C62_2 C82_2 106.5 . . ?
C62_2 C63_2 C46_2 120.2 . . ?
C62_2 C63_2 C64_2 119.8 . . ?
C46_2 C63_2 C64_2 108.2 . . ?
C48_2 C64_2 C65_2 120.4 . . ?
C48_2 C64_2 C63_2 108.0 . . ?
C65_2 C64_2 C63_2 120.3 . . ?
C64_2 C65_2 C83_2 120.0 . . ?
C64_2 C65_2 C66_2 119.8 . . ?
C83_2 C65_2 C66_2 108.1 . . ?
C67_2 C66_2 C65_2 120.7 . . ?
C67_2 C66_2 C85_2 119.6 . . ?
C65_2 C66_2 C85_2 108.5 . . ?
C66_2 C67_2 C68_2 121.7 . . ?
C66_2 C67_2 C49_2 120.5 . . ?
C68_2 C67_2 C49_2 106.1 . . ?
C69_2 C68_2 C51_2 118.8 . . ?
C69_2 C68_2 C67_2 120.1 . . ?
C51_2 C68_2 C67_2 109.2 . . ?
C68_2 C69_2 C70_2 122.1 . . ?
C68_2 C69_2 C86_2 118.1 . . ?
C70_2 C69_2 C86_2 107.2 . . ?
C71_2 C70_2 C69_2 118.9 . . ?
C71_2 C70_2 C88_2 120.1 . . ?
C69_2 C70_2 C88_2 109.9 . . ?
C70_2 C71_2 C72_2 120.0 . . ?
C70_2 C71_2 C52_2 120.6 . . ?
C72_2 C71_2 C52_2 107.5 . . ?
C73_2 C72_2 C71_2 120.1 . . ?
C73_2 C72_2 C54_2 120.2 . . ?
C71_2 C72_2 C54_2 108.3 . . ?
C89_2 C73_2 C72_2 119.0 . . ?
C89_2 C73_2 C74_2 108.8 . . ?
C72_2 C73_2 C74_2 119.4 . . ?
C91_2 C74_2 C75_2 119.2 . . ?
C91_2 C74_2 C73_2 108.9 . . ?
C75_2 C74_2 C73_2 120.6 . . ?
C74_2 C75_2 C76_2 120.5 . . ?
C74_2 C75_2 C55_2 119.8 . . ?
C76_2 C75_2 C55_2 106.8 . . ?
C77_2 C76_2 C57_2 119.8 . . ?
C77_2 C76_2 C75_2 119.7 . . ?
C57_2 C76_2 C75_2 108.6 . . ?
C76_2 C77_2 C92_2 122.1 . . ?
C76_2 C77_2 C78_2 122.4 . . ?
C92_2 C77_2 C78_2 103.4 . . ?
C59_2 C78_2 C79_2 119.6 . . ?
C59_2 C78_2 C77_2 117.8 . . ?
C79_2 C78_2 C77_2 109.8 . . ?
C80_2 C79_2 C93_2 121.4 . . ?
C80_2 C79_2 C78_2 118.6 . . ?
C93_2 C79_2 C78_2 108.6 . . ?
C79_2 C80_2 C61_2 121.2 . . ?
C79_2 C80_2 C81_2 118.5 . . ?
C61_2 C80_2 C81_2 107.7 . . ?
C95_2 C81_2 C82_2 120.9 . . ?
C95_2 C81_2 C80_2 119.6 . . ?
C82_2 C81_2 C80_2 107.8 . . ?
C83_2 C82_2 C81_2 119.7 . . ?
C83_2 C82_2 C62_2 119.4 . . ?
C81_2 C82_2 C62_2 108.8 . . ?
C82_2 C83_2 C65_2 120.0 . . ?
C82_2 C83_2 C84_2 118.8 . . ?
C65_2 C83_2 C84_2 108.4 . . ?
C96_2 C84_2 C83_2 120.5 . . ?
C96_2 C84_2 C85_2 119.9 . . ?
C83_2 C84_2 C85_2 107.8 . . ?
C86_2 C85_2 C66_2 120.4 . . ?
C86_2 C85_2 C84_2 119.7 . . ?
C66_2 C85_2 C84_2 107.1 . . ?
C85_2 C86_2 C87_2 120.9 . . ?
C85_2 C86_2 C69_2 120.2 . . ?
C87_2 C86_2 C69_2 107.0 . . ?
C97_2 C87_2 C86_2 119.6 . . ?
C97_2 C87_2 C88_2 119.8 . . ?
C86_2 C87_2 C88_2 109.0 . . ?
C89_2 C88_2 C70_2 117.3 . . ?
C89_2 C88_2 C87_2 122.1 . . ?
C70_2 C88_2 C87_2 106.9 . . ?
C73_2 C89_2 C88_2 123.5 . . ?
C73_2 C89_2 C90_2 110.1 . . ?
C88_2 C89_2 C90_2 115.7 . . ?
C98_2 C90_2 C89_2 122.9 . . ?
C98_2 C90_2 C91_2 121.4 . . ?
C89_2 C90_2 C91_2 102.2 . . ?
C74_2 C91_2 C92_2 124.0 . . ?
C74_2 C91_2 C90_2 110.0 . . ?
C92_2 C91_2 C90_2 114.9 . . ?
C91_2 C92_2 C93_2 122.7 . . ?
C91_2 C92_2 C77_2 114.4 . . ?
C93_2 C92_2 C77_2 109.7 . . ?
C94_2 C93_2 C79_2 120.9 . . ?
C94_2 C93_2 C92_2 119.4 . . ?
C79_2 C93_2 C92_2 108.5 . . ?
C93_2 C94_2 C98_2 120.5 . . ?
C93_2 C94_2 C95_2 118.4 . . ?
C98_2 C94_2 C95_2 108.0 . . ?
C81_2 C95_2 C96_2 119.2 . . ?
C81_2 C95_2 C94_2 121.2 . . ?
C96_2 C95_2 C94_2 108.2 . . ?
C84_2 C96_2 C95_2 120.8 . . ?
C84_2 C96_2 C97_2 119.8 . . ?
C95_2 C96_2 C97_2 108.1 . . ?
C87_2 C97_2 C98_2 120.2 . . ?
C87_2 C97_2 C96_2 120.0 . . ?
C98_2 C97_2 C96_2 107.4 . . ?
C90_2 C98_2 C94_2 120.9 . . ?
C90_2 C98_2 C97_2 119.2 . . ?
C94_2 C98_2 C97_2 108.3 . . ?
S1A C99A S2A 178.5 . . ?
S1B C99B S2B 178.5 . . ?

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
N1 C1 C2 C3 109.9(7) . . . . ?
C18 C1 C2 C3 -134.3(6) . . . . ?
C1 C1 C2 C3 -13.1(7) 7_575 . . . ?
N1 C1 C2 C20 -97.7(6) . . . . ?
C18 C1 C2 C20 18.1(6) . . . . ?
C1 C1 C2 C20 139.3(4) 7_575 . . . ?
C20 C2 C3 C4 2.2(10) . . . . ?
C1 C2 C3 C4 152.2(6) . . . . ?
C20 C2 C3 C3 -136.0(5) . . . 7_575 ?
C1 C2 C3 C3 14.0(8) . . . 7_575 ?
C2 C3 C4 C22 -0.2(11) . . . . ?
C3 C3 C4 C22 142.8(6) 7_575 . . . ?
C2 C3 C4 C5 -141.7(8) . . . . ?
C3 C3 C4 C5 1.3(8) 7_575 . . . ?
C22 C4 C5 C6 3.4(13) . . . . ?
C3 C4 C5 C6 144.8(9) . . . . ?
C22 C4 C5 C4 -143.6(7) . . . 7_575 ?
C3 C4 C5 C4 -2.2(12) . . . 7_575 ?
C4 C5 C6 C7 140.1(9) 7_575 . . . ?
C4 C5 C6 C7 -3.0(16) . . . . ?
C4 C5 C6 C7 3.0(16) 7_575 . . 7_575 ?
C4 C5 C6 C7 -140.1(9) . . . 7_575 ?
C5 C6 C7 C23 1.6(15) . . . . ?
C7 C6 C7 C23 143.4(7) 7_575 . . . ?
C5 C6 C7 C8 -141.3(10) . . . . ?
C7 C6 C7 C8 0.5(12) 7_575 . . . ?
C23 C7 C8 C9 -1.4(12) . . . . ?
C6 C7 C8 C9 141.5(9) . . . . ?
C23 C7 C8 C8 -143.2(6) . . . 7_575 ?
C6 C7 C8 C8 -0.3(7) . . . 7_575 ?
C7 C8 C9 C10 -138.3(8) . . . . ?
C8 C8 C9 C10 -0.8(8) 7_575 . . . ?
C7 C8 C9 C25 2.3(12) . . . . ?
C8 C8 C9 C25 139.7(6) 7_575 . . . ?
C8 C9 C10 C10 0.8(8) . . . 7_575 ?
C25 C9 C10 C10 -142.7(5) . . . 7_575 ?
C8 C9 C10 C11 143.8(7) . . . . ?
C25 C9 C10 C11 0.2(9) . . . . ?
C10 C10 C11 C12 0.8(9) 7_575 . . . ?
C9 C10 C11 C12 -142.6(8) . . . . ?
C10 C10 C11 C26 143.3(5) 7_575 . . . ?
C9 C10 C11 C26 -0.2(8) . . . . ?
C26 C11 C12 C12 -138.6(7) . . . 7_575 ?
C10 C11 C12 C12 -0.8(9) . . . 7_575 ?
C26 C11 C12 C13 -0.1(13) . . . . ?
C10 C11 C12 C13 137.6(8) . . . . ?
C11 C12 C13 C28 -0.1(12) . . . . ?
C12 C12 C13 C28 142.5(6) 7_575 . . . ?
C11 C12 C13 C14 -142.9(9) . . . . ?
C12 C12 C13 C14 -0.2(8) 7_575 . . . ?
C28 C13 C14 C15 -0.2(16) . . . . ?
C12 C13 C14 C15 142.3(10) . . . . ?
C28 C13 C14 C13 -142.2(8) . . . 7_575 ?
C12 C13 C14 C13 0.3(13) . . . 7_575 ?
C13 C14 C15 C16 0.3(16) 7_575 . . 7_575 ?
C13 C14 C15 C16 -137.3(9) . . . 7_575 ?
C13 C14 C15 C16 137.3(9) 7_575 . . . ?
C13 C14 C15 C16 -0.3(16) . . . . ?
C14 C15 C16 C29 1.6(13) . . . . ?
C16 C15 C16 C29 143.9(6) 7_575 . . . ?
C14 C15 C16 C17 -142.8(10) . . . . ?
C16 C15 C16 C17 -0.4(11) 7_575 . . . ?
C29 C16 C17 C18 -0.1(10) . . . . ?
C15 C16 C17 C18 143.6(7) . . . . ?
C29 C16 C17 C17 -143.4(6) . . . 7_575 ?
C15 C16 C17 C17 0.3(7) . . . 7_575 ?
C16 C17 C18 C19 -2.6(9) . . . . ?
C17 C17 C18 C19 136.1(5) 7_575 . . . ?
C16 C17 C18 C1 -151.0(6) . . . . ?
C17 C17 C18 C1 -12.4(7) 7_575 . . . ?
N1 C1 C18 C17 -111.3(6) . . . . ?
C2 C1 C18 C17 132.7(6) . . . . ?
C1 C1 C18 C17 11.6(7) 7_575 . . . ?
N1 C1 C18 C19 97.8(5) . . . . ?
C2 C1 C18 C19 -18.2(6) . . . . ?
C1 C1 C18 C19 -139.3(4) 7_575 . . . ?
C17 C18 C19 C30 4.4(9) . . . . ?
C1 C18 C19 C30 157.5(6) . . . . ?
C17 C18 C19 C20 -140.5(6) . . . . ?
C1 C18 C19 C20 12.5(7) . . . . ?
C30 C19 C20 C21 1.2(10) . . . . ?
C18 C19 C20 C21 145.7(6) . . . . ?
C30 C19 C20 C2 -144.9(6) . . . . ?
C18 C19 C20 C2 -0.4(7) . . . . ?
C3 C2 C20 C21 -3.6(10) . . . . ?
C1 C2 C20 C21 -157.7(6) . . . . ?
C3 C2 C20 C19 142.2(6) . . . . ?
C1 C2 C20 C19 -11.9(7) . . . . ?
C19 C20 C21 C22 -139.1(8) . . . . ?
C2 C20 C21 C22 3.0(11) . . . . ?
C19 C20 C21 C32 -0.6(11) . . . . ?
C2 C20 C21 C32 141.6(8) . . . . ?
C20 C21 C22 C4 -1.0(12) . . . . ?
C32 C21 C22 C4 -144.2(7) . . . . ?
C20 C21 C22 C23 142.6(7) . . . . ?
C32 C21 C22 C23 -0.6(9) . . . . ?
C5 C4 C22 C21 136.7(8) . . . . ?
C3 C4 C22 C21 -0.4(11) . . . . ?
C5 C4 C22 C23 -2.3(12) . . . . ?
C3 C4 C22 C23 -139.4(8) . . . . ?
C8 C7 C23 C24 0.9(11) . . . . ?
C6 C7 C23 C24 -137.6(9) . . . . ?
C8 C7 C23 C22 138.1(9) . . . . ?
C6 C7 C23 C22 -0.4(13) . . . . ?
C21 C22 C23 C7 -142.2(8) . . . . ?
C4 C22 C23 C7 0.8(12) . . . . ?
C21 C22 C23 C24 -0.8(9) . . . . ?
C4 C22 C23 C24 142.2(8) . . . . ?
C7 C23 C24 C25 -1.3(11) . . . . ?
C22 C23 C24 C25 -142.3(8) . . . . ?
C7 C23 C24 C32 142.9(7) . . . . ?
C22 C23 C24 C32 1.9(9) . . . . ?
C23 C24 C25 C9 2.2(12) . . . . ?
C32 C24 C25 C9 -136.6(9) . . . . ?
C23 C24 C25 C26 138.1(9) . . . . ?
C32 C24 C25 C26 -0.6(12) . . . . ?
C8 C9 C25 C24 -2.7(12) . . . . ?
C10 C9 C25 C24 140.9(8) . . . . ?
C8 C9 C25 C26 -143.8(8) . . . . ?
C10 C9 C25 C26 -0.2(9) . . . . ?
C12 C11 C26 C27 1.5(13) . . . . ?
C10 C11 C26 C27 -140.9(8) . . . . ?
C12 C11 C26 C25 142.4(8) . . . . ?
C10 C11 C26 C25 0.1(8) . . . . ?
C24 C25 C26 C27 -0.5(12) . . . . ?
C9 C25 C26 C27 141.2(8) . . . . ?
C24 C25 C26 C11 -141.6(8) . . . . ?
C9 C25 C26 C11 0.1(8) . . . . ?
C11 C26 C27 C28 -2.5(12) . . . . ?
C25 C26 C27 C28 -139.4(9) . . . . ?
C11 C26 C27 C31 138.1(9) . . . . ?
C25 C26 C27 C31 1.2(11) . . . . ?
C12 C13 C28 C27 -0.9(12) . . . . ?
C14 C13 C28 C27 137.1(10) . . . . ?
C12 C13 C28 C29 -138.5(8) . . . . ?
C14 C13 C28 C29 -0.6(14) . . . . ?
C26 C27 C28 C13 2.3(12) . . . . ?
C31 C27 C28 C13 -141.6(8) . . . . ?
C26 C27 C28 C29 144.2(8) . . . . ?
C31 C27 C28 C29 0.3(10) . . . . ?
C17 C16 C29 C30 1.1(11) . . . . ?
C15 C16 C29 C30 -139.4(8) . . . . ?
C17 C16 C29 C28 138.2(8) . . . . ?
C15 C16 C29 C28 -2.3(12) . . . . ?
C13 C28 C29 C16 1.9(12) . . . . ?
C27 C28 C29 C16 -140.6(8) . . . . ?
C13 C28 C29 C30 143.1(8) . . . . ?
C27 C28 C29 C30 0.7(9) . . . . ?
C20 C19 C30 C29 136.9(7) . . . . ?
C18 C19 C30 C29 -3.5(10) . . . . ?
C20 C19 C30 C31 -0.5(10) . . . . ?
C18 C19 C30 C31 -140.9(7) . . . . ?
C16 C29 C30 C19 0.8(11) . . . . ?
C28 C29 C30 C19 -141.3(7) . . . . ?
C16 C29 C30 C31 140.7(7) . . . . ?
C28 C29 C30 C31 -1.4(9) . . . . ?
C26 C27 C31 C32 -0.7(12) . . . . ?
C28 C27 C31 C32 143.5(8) . . . . ?
C26 C27 C31 C30 -145.4(8) . . . . ?
C28 C27 C31 C30 -1.1(9) . . . . ?
C19 C30 C31 C32 -0.8(12) . . . . ?
C29 C30 C31 C32 -142.4(8) . . . . ?
C19 C30 C31 C27 143.1(7) . . . . ?
C29 C30 C31 C27 1.5(9) . . . . ?
C27 C31 C32 C21 -136.8(8) . . . . ?
C30 C31 C32 C21 1.3(13) . . . . ?
C27 C31 C32 C24 -0.4(11) . . . . ?
C30 C31 C32 C24 137.8(8) . . . . ?
C20 C21 C32 C31 -0.7(12) . . . . ?
C22 C21 C32 C31 142.4(8) . . . . ?
C20 C21 C32 C24 -141.3(7) . . . . ?
C22 C21 C32 C24 1.8(9) . . . . ?
C25 C24 C32 C31 1.1(12) . . . . ?
C23 C24 C32 C31 -142.6(8) . . . . ?
C25 C24 C32 C21 141.4(8) . . . . ?
C23 C24 C32 C21 -2.3(9) . . . . ?
C34 C34 N1 C33 -57.7(4) 7_575 . . . ?
C34 C34 N1 C1 59.5(4) 7_575 . . . ?
C34 C34 N1 Rh1 -170.56(10) 7_575 . . . ?
C33 C33 N1 C34 57.8(4) 7_575 . . . ?
C33 C33 N1 C1 -59.7(4) 7_575 . . . ?
C33 C33 N1 Rh1 167.51(10) 7_575 . . . ?
C18 C1 N1 C34 67.1(6) . . . . ?
C2 C1 N1 C34 176.3(5) . . . . ?
C1 C1 N1 C34 -58.3(4) 7_575 . . . ?
C18 C1 N1 C33 -176.2(5) . . . . ?
C2 C1 N1 C33 -67.0(6) . . . . ?
C1 C1 N1 C33 58.4(4) 7_575 . . . ?
C18 C1 N1 Rh1 -51.5(6) . . . . ?
C2 C1 N1 Rh1 57.7(6) . . . . ?
C1 C1 N1 Rh1 -176.91(19) 7_575 . . . ?
O2 C35 O1 Rh1 -3.4(11) . . . . ?
C36 C35 O1 Rh1 175.1(5) . . . . ?
O1 C35 O2 Rh1 5.4(10) . . . 5_567 ?
C36 C35 O2 Rh1 -173.0(6) . . . 5_567 ?
O4 C37 O3 Rh1 5.6(10) . . . . ?
C38 C37 O3 Rh1 -174.2(5) . . . . ?
O3 C37 O4 Rh1 -7.0(10) . . . 5_567 ?
C38 C37 O4 Rh1 172.8(5) . . . 5_567 ?
C47_1 C39_1 C40_1 C50_1 1.0 . . . . ?
C43_1 C39_1 C40_1 C50_1 142.5 . . . . ?
C47_1 C39_1 C40_1 C41_1 -142.5 . . . . ?
C43_1 C39_1 C40_1 C41_1 -1.0 . . . . ?
C50_1 C40_1 C41_1 C53_1 -1.8 . . . . ?
C39_1 C40_1 C41_1 C53_1 141.9 . . . . ?
C50_1 C40_1 C41_1 C42_1 -143.4 . . . . ?
C39_1 C40_1 C41_1 C42_1 0.3 . . . . ?
C53_1 C41_1 C42_1 C56_1 -0.2 . . . . ?
C40_1 C41_1 C42_1 C56_1 142.2 . . . . ?
C53_1 C41_1 C42_1 C43_1 -141.9 . . . . ?
C40_1 C41_1 C42_1 C43_1 0.5 . . . . ?
C47_1 C39_1 C43_1 C44_1 -2.1 . . . . ?
C40_1 C39_1 C43_1 C44_1 -142.3 . . . . ?
C47_1 C39_1 C43_1 C42_1 141.5 . . . . ?
C40_1 C39_1 C43_1 C42_1 1.3 . . . . ?
C56_1 C42_1 C43_1 C44_1 1.5 . . . . ?
C41_1 C42_1 C43_1 C44_1 142.3 . . . . ?
C56_1 C42_1 C43_1 C39_1 -141.9 . . . . ?
C41_1 C42_1 C43_1 C39_1 -1.1 . . . . ?
C39_1 C43_1 C44_1 C58_1 139.4 . . . . ?
C42_1 C43_1 C44_1 C58_1 -0.4 . . . . ?
C39_1 C43_1 C44_1 C45_1 0.5 . . . . ?
C42_1 C43_1 C44_1 C45_1 -139.2 . . . . ?
C43_1 C44_1 C45_1 C46_1 0.3 . . . . ?
C58_1 C44_1 C45_1 C46_1 -143.1 . . . . ?
C43_1 C44_1 C45_1 C60_1 142.4 . . . . ?
C58_1 C44_1 C45_1 C60_1 -1.0 . . . . ?
C60_1 C45_1 C46_1 C63_1 0.5 . . . . ?
C44_1 C45_1 C46_1 C63_1 138.4 . . . . ?
C60_1 C45_1 C46_1 C47_1 -137.6 . . . . ?
C44_1 C45_1 C46_1 C47_1 0.3 . . . . ?
C43_1 C39_1 C47_1 C48_1 -137.1 . . . . ?
C40_1 C39_1 C47_1 C48_1 -0.9 . . . . ?
C43_1 C39_1 C47_1 C46_1 2.7 . . . . ?
C40_1 C39_1 C47_1 C46_1 138.9 . . . . ?
C45_1 C46_1 C47_1 C39_1 -1.8 . . . . ?
C63_1 C46_1 C47_1 C39_1 -144.0 . . . . ?
C45_1 C46_1 C47_1 C48_1 143.1 . . . . ?
C63_1 C46_1 C47_1 C48_1 0.9 . . . . ?
C39_1 C47_1 C48_1 C49_1 0.8 . . . . ?
C46_1 C47_1 C48_1 C49_1 -142.9 . . . . ?
C39_1 C47_1 C48_1 C64_1 142.3 . . . . ?
C46_1 C47_1 C48_1 C64_1 -1.4 . . . . ?
C47_1 C48_1 C49_1 C50_1 -0.7 . . . . ?
C64_1 C48_1 C49_1 C50_1 -138.3 . . . . ?
C47_1 C48_1 C49_1 C67_1 137.4 . . . . ?
C64_1 C48_1 C49_1 C67_1 -0.3 . . . . ?
C41_1 C40_1 C50_1 C49_1 138.6 . . . . ?
C39_1 C40_1 C50_1 C49_1 -0.9 . . . . ?
C41_1 C40_1 C50_1 C51_1 1.2 . . . . ?
C39_1 C40_1 C50_1 C51_1 -138.3 . . . . ?
C48_1 C49_1 C50_1 C40_1 0.7 . . . . ?
C67_1 C49_1 C50_1 C40_1 -141.9 . . . . ?
C48_1 C49_1 C50_1 C51_1 142.3 . . . . ?
C67_1 C49_1 C50_1 C51_1 -0.3 . . . . ?
C40_1 C50_1 C51_1 C52_1 -0.8 . . . . ?
C49_1 C50_1 C51_1 C52_1 -142.9 . . . . ?
C40_1 C50_1 C51_1 C68_1 142.8 . . . . ?
C49_1 C50_1 C51_1 C68_1 0.6 . . . . ?
C68_1 C51_1 C52_1 C53_1 -138.2 . . . . ?
C50_1 C51_1 C52_1 C53_1 0.8 . . . . ?
C68_1 C51_1 C52_1 C71_1 -0.2 . . . . ?
C50_1 C51_1 C52_1 C71_1 138.8 . . . . ?
C40_1 C41_1 C53_1 C54_1 -136.7 . . . . ?
C42_1 C41_1 C53_1 C54_1 0.1 . . . . ?
C40_1 C41_1 C53_1 C52_1 1.8 . . . . ?
C42_1 C41_1 C53_1 C52_1 138.6 . . . . ?
C51_1 C52_1 C53_1 C41_1 -1.3 . . . . ?
C71_1 C52_1 C53_1 C41_1 -143.3 . . . . ?
C51_1 C52_1 C53_1 C54_1 142.5 . . . . ?
C71_1 C52_1 C53_1 C54_1 0.5 . . . . ?
C41_1 C53_1 C54_1 C55_1 0.0 . . . . ?
C52_1 C53_1 C54_1 C55_1 -143.0 . . . . ?
C41_1 C53_1 C54_1 C72_1 142.6 . . . . ?
C52_1 C53_1 C54_1 C72_1 -0.4 . . . . ?
C72_1 C54_1 C55_1 C56_1 -138.3 . . . . ?
C53_1 C54_1 C55_1 C56_1 0.0 . . . . ?
C72_1 C54_1 C55_1 C75_1 1.2 . . . . ?
C53_1 C54_1 C55_1 C75_1 139.5 . . . . ?
C43_1 C42_1 C56_1 C55_1 136.9 . . . . ?
C41_1 C42_1 C56_1 C55_1 0.2 . . . . ?
C43_1 C42_1 C56_1 C57_1 0.4 . . . . ?
C41_1 C42_1 C56_1 C57_1 -136.3 . . . . ?
C54_1 C55_1 C56_1 C42_1 -0.1 . . . . ?
C75_1 C55_1 C56_1 C42_1 -143.6 . . . . ?
C54_1 C55_1 C56_1 C57_1 142.4 . . . . ?
C75_1 C55_1 C56_1 C57_1 -1.1 . . . . ?
C42_1 C56_1 C57_1 C76_1 143.3 . . . . ?
C55_1 C56_1 C57_1 C76_1 1.2 . . . . ?
C42_1 C56_1 C57_1 C58_1 -3.4 . . . . ?
C55_1 C56_1 C57_1 C58_1 -145.5 . . . . ?
C76_1 C57_1 C58_1 C59_1 1.9 . . . . ?
C56_1 C57_1 C58_1 C59_1 141.5 . . . . ?
C76_1 C57_1 C58_1 C44_1 -134.9 . . . . ?
C56_1 C57_1 C58_1 C44_1 4.6 . . . . ?
C43_1 C44_1 C58_1 C57_1 -3.0 . . . . ?
C45_1 C44_1 C58_1 C57_1 140.7 . . . . ?
C43_1 C44_1 C58_1 C59_1 -142.3 . . . . ?
C45_1 C44_1 C58_1 C59_1 1.5 . . . . ?
C57_1 C58_1 C59_1 C78_1 -0.2 . . . . ?
C44_1 C58_1 C59_1 C78_1 142.9 . . . . ?
C57_1 C58_1 C59_1 C60_1 -144.5 . . . . ?
C44_1 C58_1 C59_1 C60_1 -1.3 . . . . ?
C46_1 C45_1 C60_1 C61_1 0.0 . . . . ?
C44_1 C45_1 C60_1 C61_1 -141.7 . . . . ?
C46_1 C45_1 C60_1 C59_1 142.0 . . . . ?
C44_1 C45_1 C60_1 C59_1 0.2 . . . . ?
C78_1 C59_1 C60_1 C61_1 -1.6 . . . . ?
C58_1 C59_1 C60_1 C61_1 143.1 . . . . ?
C78_1 C59_1 C60_1 C45_1 -144.1 . . . . ?
C58_1 C59_1 C60_1 C45_1 0.7 . . . . ?
C45_1 C60_1 C61_1 C80_1 138.1 . . . . ?
C59_1 C60_1 C61_1 C80_1 0.8 . . . . ?
C45_1 C60_1 C61_1 C62_1 -0.7 . . . . ?
C59_1 C60_1 C61_1 C62_1 -138.0 . . . . ?
C60_1 C61_1 C62_1 C63_1 0.9 . . . . ?
C80_1 C61_1 C62_1 C63_1 -142.0 . . . . ?
C60_1 C61_1 C62_1 C82_1 143.2 . . . . ?
C80_1 C61_1 C62_1 C82_1 0.3 . . . . ?
C61_1 C62_1 C63_1 C46_1 -0.4 . . . . ?
C82_1 C62_1 C63_1 C46_1 -137.5 . . . . ?
C61_1 C62_1 C63_1 C64_1 137.5 . . . . ?
C82_1 C62_1 C63_1 C64_1 0.4 . . . . ?
C45_1 C46_1 C63_1 C62_1 -0.3 . . . . ?
C47_1 C46_1 C63_1 C62_1 142.3 . . . . ?
C45_1 C46_1 C63_1 C64_1 -142.7 . . . . ?
C47_1 C46_1 C63_1 C64_1 -0.1 . . . . ?
C49_1 C48_1 C64_1 C65_1 -0.3 . . . . ?
C47_1 C48_1 C64_1 C65_1 -141.9 . . . . ?
C49_1 C48_1 C64_1 C63_1 142.9 . . . . ?
C47_1 C48_1 C64_1 C63_1 1.3 . . . . ?
C62_1 C63_1 C64_1 C65_1 -0.1 . . . . ?
C46_1 C63_1 C64_1 C65_1 142.7 . . . . ?
C62_1 C63_1 C64_1 C48_1 -143.5 . . . . ?
C46_1 C63_1 C64_1 C48_1 -0.7 . . . . ?
C48_1 C64_1 C65_1 C83_1 138.8 . . . . ?
C63_1 C64_1 C65_1 C83_1 0.2 . . . . ?
C48_1 C64_1 C65_1 C66_1 0.7 . . . . ?
C63_1 C64_1 C65_1 C66_1 -137.9 . . . . ?
C64_1 C65_1 C66_1 C67_1 -0.5 . . . . ?
C83_1 C65_1 C66_1 C67_1 -143.0 . . . . ?
C64_1 C65_1 C66_1 C85_1 142.7 . . . . ?
C83_1 C65_1 C66_1 C85_1 0.2 . . . . ?
C65_1 C66_1 C67_1 C68_1 138.5 . . . . ?
C85_1 C66_1 C67_1 C68_1 -0.7 . . . . ?
C65_1 C66_1 C67_1 C49_1 -0.1 . . . . ?
C85_1 C66_1 C67_1 C49_1 -139.3 . . . . ?
C48_1 C49_1 C67_1 C66_1 0.5 . . . . ?
C50_1 C49_1 C67_1 C66_1 143.0 . . . . ?
C48_1 C49_1 C67_1 C68_1 -142.6 . . . . ?
C50_1 C49_1 C67_1 C68_1 -0.1 . . . . ?
C66_1 C67_1 C68_1 C69_1 0.3 . . . . ?
C49_1 C67_1 C68_1 C69_1 143.0 . . . . ?
C66_1 C67_1 C68_1 C51_1 -142.3 . . . . ?
C49_1 C67_1 C68_1 C51_1 0.5 . . . . ?
C52_1 C51_1 C68_1 C69_1 -0.2 . . . . ?
C50_1 C51_1 C68_1 C69_1 -143.6 . . . . ?
C52_1 C51_1 C68_1 C67_1 142.7 . . . . ?
C50_1 C51_1 C68_1 C67_1 -0.7 . . . . ?
C67_1 C68_1 C69_1 C70_1 -137.4 . . . . ?
C51_1 C68_1 C69_1 C70_1 0.9 . . . . ?
C67_1 C68_1 C69_1 C86_1 -0.3 . . . . ?
C51_1 C68_1 C69_1 C86_1 138.0 . . . . ?
C68_1 C69_1 C70_1 C71_1 -1.2 . . . . ?
C86_1 C69_1 C70_1 C71_1 -142.6 . . . . ?
C68_1 C69_1 C70_1 C88_1 142.6 . . . . ?
C86_1 C69_1 C70_1 C88_1 1.2 . . . . ?
C69_1 C70_1 C71_1 C72_1 138.9 . . . . ?
C88_1 C70_1 C71_1 C72_1 -1.0 . . . . ?
C69_1 C70_1 C71_1 C52_1 0.8 . . . . ?
C88_1 C70_1 C71_1 C52_1 -139.1 . . . . ?
C51_1 C52_1 C71_1 C70_1 -0.1 . . . . ?
C53_1 C52_1 C71_1 C70_1 142.2 . . . . ?
C51_1 C52_1 C71_1 C72_1 -142.8 . . . . ?
C53_1 C52_1 C71_1 C72_1 -0.5 . . . . ?
C70_1 C71_1 C72_1 C73_1 0.8 . . . . ?
C52_1 C71_1 C72_1 C73_1 143.7 . . . . ?
C70_1 C71_1 C72_1 C54_1 -142.6 . . . . ?
C52_1 C71_1 C72_1 C54_1 0.3 . . . . ?
C55_1 C54_1 C72_1 C73_1 -1.1 . . . . ?
C53_1 C54_1 C72_1 C73_1 -143.3 . . . . ?
C55_1 C54_1 C72_1 C71_1 142.3 . . . . ?
C53_1 C54_1 C72_1 C71_1 0.1 . . . . ?
C71_1 C72_1 C73_1 C74_1 -137.9 . . . . ?
C54_1 C72_1 C73_1 C74_1 1.1 . . . . ?
C71_1 C72_1 C73_1 C89_1 -1.6 . . . . ?
C54_1 C72_1 C73_1 C89_1 137.4 . . . . ?
C72_1 C73_1 C74_1 C75_1 -1.5 . . . . ?
C89_1 C73_1 C74_1 C75_1 -142.4 . . . . ?
C72_1 C73_1 C74_1 C91_1 141.3 . . . . ?
C89_1 C73_1 C74_1 C91_1 0.4 . . . . ?
C73_1 C74_1 C75_1 C76_1 137.9 . . . . ?
C91_1 C74_1 C75_1 C76_1 -0.6 . . . . ?
C73_1 C74_1 C75_1 C55_1 1.6 . . . . ?
C91_1 C74_1 C75_1 C55_1 -136.9 . . . . ?
C54_1 C55_1 C75_1 C74_1 -1.5 . . . . ?
C56_1 C55_1 C75_1 C74_1 142.3 . . . . ?
C54_1 C55_1 C75_1 C76_1 -143.1 . . . . ?
C56_1 C55_1 C75_1 C76_1 0.7 . . . . ?
C58_1 C57_1 C76_1 C77_1 -2.1 . . . . ?
C56_1 C57_1 C76_1 C77_1 -143.4 . . . . ?
C58_1 C57_1 C76_1 C75_1 140.5 . . . . ?
C56_1 C57_1 C76_1 C75_1 -0.8 . . . . ?
C74_1 C75_1 C76_1 C57_1 -141.1 . . . . ?
C55_1 C75_1 C76_1 C57_1 0.1 . . . . ?
C74_1 C75_1 C76_1 C77_1 1.0 . . . . ?
C55_1 C75_1 C76_1 C77_1 142.2 . . . . ?
C57_1 C76_1 C77_1 C92_1 139.1 . . . . ?
C75_1 C76_1 C77_1 C92_1 -0.3 . . . . ?
C57_1 C76_1 C77_1 C78_1 0.6 . . . . ?
C75_1 C76_1 C77_1 C78_1 -138.8 . . . . ?
C58_1 C59_1 C78_1 C77_1 -1.0 . . . . ?
C60_1 C59_1 C78_1 C77_1 139.2 . . . . ?
C58_1 C59_1 C78_1 C79_1 -137.7 . . . . ?
C60_1 C59_1 C78_1 C79_1 2.6 . . . . ?
C76_1 C77_1 C78_1 C59_1 0.9 . . . . ?
C92_1 C77_1 C78_1 C59_1 -141.6 . . . . ?
C76_1 C77_1 C78_1 C79_1 142.7 . . . . ?
C92_1 C77_1 C78_1 C79_1 0.2 . . . . ?
C59_1 C78_1 C79_1 C80_1 -2.7 . . . . ?
C77_1 C78_1 C79_1 C80_1 -144.3 . . . . ?
C59_1 C78_1 C79_1 C93_1 141.4 . . . . ?
C77_1 C78_1 C79_1 C93_1 -0.3 . . . . ?
C93_1 C79_1 C80_1 C61_1 -137.4 . . . . ?
C78_1 C79_1 C80_1 C61_1 1.9 . . . . ?
C93_1 C79_1 C80_1 C81_1 -0.3 . . . . ?
C78_1 C79_1 C80_1 C81_1 139.0 . . . . ?
C60_1 C61_1 C80_1 C79_1 -1.0 . . . . ?
C62_1 C61_1 C80_1 C79_1 141.4 . . . . ?
C60_1 C61_1 C80_1 C81_1 -142.2 . . . . ?
C62_1 C61_1 C80_1 C81_1 0.2 . . . . ?
C79_1 C80_1 C81_1 C95_1 0.4 . . . . ?
C61_1 C80_1 C81_1 C95_1 142.7 . . . . ?
C79_1 C80_1 C81_1 C82_1 -142.9 . . . . ?
C61_1 C80_1 C81_1 C82_1 -0.6 . . . . ?
C95_1 C81_1 C82_1 C83_1 0.4 . . . . ?
C80_1 C81_1 C82_1 C83_1 143.2 . . . . ?
C95_1 C81_1 C82_1 C62_1 -142.0 . . . . ?
C80_1 C81_1 C82_1 C62_1 0.8 . . . . ?
C63_1 C62_1 C82_1 C83_1 -0.9 . . . . ?
C61_1 C62_1 C82_1 C83_1 -143.2 . . . . ?
C63_1 C62_1 C82_1 C81_1 141.7 . . . . ?
C61_1 C62_1 C82_1 C81_1 -0.6 . . . . ?
C81_1 C82_1 C83_1 C65_1 -137.4 . . . . ?
C62_1 C82_1 C83_1 C65_1 1.1 . . . . ?
C81_1 C82_1 C83_1 C84_1 -0.3 . . . . ?
C62_1 C82_1 C83_1 C84_1 138.2 . . . . ?
C64_1 C65_1 C83_1 C82_1 -0.7 . . . . ?
C66_1 C65_1 C83_1 C82_1 141.7 . . . . ?
C64_1 C65_1 C83_1 C84_1 -141.8 . . . . ?
C66_1 C65_1 C83_1 C84_1 0.6 . . . . ?
C82_1 C83_1 C84_1 C96_1 0.1 . . . . ?
C65_1 C83_1 C84_1 C96_1 141.7 . . . . ?
C82_1 C83_1 C84_1 C85_1 -142.9 . . . . ?
C65_1 C83_1 C84_1 C85_1 -1.2 . . . . ?
C67_1 C66_1 C85_1 C86_1 1.1 . . . . ?
C65_1 C66_1 C85_1 C86_1 -142.4 . . . . ?
C67_1 C66_1 C85_1 C84_1 142.6 . . . . ?
C65_1 C66_1 C85_1 C84_1 -1.0 . . . . ?
C96_1 C84_1 C85_1 C86_1 -0.1 . . . . ?
C83_1 C84_1 C85_1 C86_1 143.1 . . . . ?
C96_1 C84_1 C85_1 C66_1 -141.8 . . . . ?
C83_1 C84_1 C85_1 C66_1 1.3 . . . . ?
C66_1 C85_1 C86_1 C87_1 137.2 . . . . ?
C84_1 C85_1 C86_1 C87_1 0.5 . . . . ?
C66_1 C85_1 C86_1 C69_1 -1.1 . . . . ?
C84_1 C85_1 C86_1 C69_1 -137.8 . . . . ?
C68_1 C69_1 C86_1 C85_1 0.7 . . . . ?
C70_1 C69_1 C86_1 C85_1 142.7 . . . . ?
C68_1 C69_1 C86_1 C87_1 -142.6 . . . . ?
C70_1 C69_1 C86_1 C87_1 -0.6 . . . . ?
C85_1 C86_1 C87_1 C97_1 0.1 . . . . ?
C69_1 C86_1 C87_1 C97_1 143.0 . . . . ?
C85_1 C86_1 C87_1 C88_1 -143.1 . . . . ?
C69_1 C86_1 C87_1 C88_1 -0.2 . . . . ?
C71_1 C70_1 C88_1 C89_1 2.0 . . . . ?
C69_1 C70_1 C88_1 C89_1 -141.7 . . . . ?
C71_1 C70_1 C88_1 C87_1 142.4 . . . . ?
C69_1 C70_1 C88_1 C87_1 -1.3 . . . . ?
C97_1 C87_1 C88_1 C89_1 -1.6 . . . . ?
C86_1 C87_1 C88_1 C89_1 141.5 . . . . ?
C97_1 C87_1 C88_1 C70_1 -142.2 . . . . ?
C86_1 C87_1 C88_1 C70_1 0.9 . . . . ?
C70_1 C88_1 C89_1 C90_1 137.8 . . . . ?
C87_1 C88_1 C89_1 C90_1 2.3 . . . . ?
C70_1 C88_1 C89_1 C73_1 -2.8 . . . . ?
C87_1 C88_1 C89_1 C73_1 -138.3 . . . . ?
C72_1 C73_1 C89_1 C88_1 2.7 . . . . ?
C74_1 C73_1 C89_1 C88_1 143.5 . . . . ?
C72_1 C73_1 C89_1 C90_1 -141.8 . . . . ?
C74_1 C73_1 C89_1 C90_1 -1.0 . . . . ?
C88_1 C89_1 C90_1 C98_1 -2.2 . . . . ?
C73_1 C89_1 C90_1 C98_1 142.3 . . . . ?
C88_1 C89_1 C90_1 C91_1 -143.3 . . . . ?
C73_1 C89_1 C90_1 C91_1 1.2 . . . . ?
C75_1 C74_1 C91_1 C92_1 -0.5 . . . . ?
C73_1 C74_1 C91_1 C92_1 -143.7 . . . . ?
C75_1 C74_1 C91_1 C90_1 143.5 . . . . ?
C73_1 C74_1 C91_1 C90_1 0.3 . . . . ?
C98_1 C90_1 C91_1 C92_1 0.7 . . . . ?
C89_1 C90_1 C91_1 C92_1 142.8 . . . . ?
C98_1 C90_1 C91_1 C74_1 -143.0 . . . . ?
C89_1 C90_1 C91_1 C74_1 -0.9 . . . . ?
C74_1 C91_1 C92_1 C77_1 1.2 . . . . ?
C90_1 C91_1 C92_1 C77_1 -138.1 . . . . ?
C74_1 C91_1 C92_1 C93_1 138.0 . . . . ?
C90_1 C91_1 C92_1 C93_1 -1.3 . . . . ?
C76_1 C77_1 C92_1 C91_1 -0.8 . . . . ?
C78_1 C77_1 C92_1 C91_1 141.4 . . . . ?
C76_1 C77_1 C92_1 C93_1 -142.3 . . . . ?
C78_1 C77_1 C92_1 C93_1 -0.1 . . . . ?
C80_1 C79_1 C93_1 C94_1 -0.5 . . . . ?
C78_1 C79_1 C93_1 C94_1 -143.3 . . . . ?
C80_1 C79_1 C93_1 C92_1 143.1 . . . . ?
C78_1 C79_1 C93_1 C92_1 0.2 . . . . ?
C91_1 C92_1 C93_1 C94_1 2.0 . . . . ?
C77_1 C92_1 C93_1 C94_1 144.1 . . . . ?
C91_1 C92_1 C93_1 C79_1 -142.1 . . . . ?
C77_1 C92_1 C93_1 C79_1 0.0 . . . . ?
C79_1 C93_1 C94_1 C98_1 137.6 . . . . ?
C92_1 C93_1 C94_1 C98_1 -2.1 . . . . ?
C79_1 C93_1 C94_1 C95_1 1.1 . . . . ?
C92_1 C93_1 C94_1 C95_1 -138.6 . . . . ?
C82_1 C81_1 C95_1 C96_1 -0.4 . . . . ?
C80_1 C81_1 C95_1 C96_1 -138.9 . . . . ?
C82_1 C81_1 C95_1 C94_1 138.8 . . . . ?
C80_1 C81_1 C95_1 C94_1 0.2 . . . . ?
C93_1 C94_1 C95_1 C81_1 -1.0 . . . . ?
C98_1 C94_1 C95_1 C81_1 -142.4 . . . . ?
C93_1 C94_1 C95_1 C96_1 142.0 . . . . ?
C98_1 C94_1 C95_1 C96_1 0.6 . . . . ?
C83_1 C84_1 C96_1 C95_1 0.0 . . . . ?
C85_1 C84_1 C96_1 C95_1 138.5 . . . . ?
C83_1 C84_1 C96_1 C97_1 -139.4 . . . . ?
C85_1 C84_1 C96_1 C97_1 -0.9 . . . . ?
C81_1 C95_1 C96_1 C84_1 0.2 . . . . ?
C94_1 C95_1 C96_1 C84_1 -143.7 . . . . ?
C81_1 C95_1 C96_1 C97_1 143.7 . . . . ?
C94_1 C95_1 C96_1 C97_1 -0.2 . . . . ?
C86_1 C87_1 C97_1 C98_1 -138.5 . . . . ?
C88_1 C87_1 C97_1 C98_1 0.8 . . . . ?
C86_1 C87_1 C97_1 C96_1 -1.0 . . . . ?
C88_1 C87_1 C97_1 C96_1 138.2 . . . . ?
C84_1 C96_1 C97_1 C87_1 1.4 . . . . ?
C95_1 C96_1 C97_1 C87_1 -142.6 . . . . ?
C84_1 C96_1 C97_1 C98_1 143.7 . . . . ?
C95_1 C96_1 C97_1 C98_1 -0.3 . . . . ?
C89_1 C90_1 C98_1 C94_1 -137.5 . . . . ?
C91_1 C90_1 C98_1 C94_1 -0.7 . . . . ?
C89_1 C90_1 C98_1 C97_1 1.3 . . . . ?
C91_1 C90_1 C98_1 C97_1 138.2 . . . . ?
C93_1 C94_1 C98_1 C90_1 1.4 . . . . ?
C95_1 C94_1 C98_1 C90_1 141.9 . . . . ?
C93_1 C94_1 C98_1 C97_1 -141.3 . . . . ?
C95_1 C94_1 C98_1 C97_1 -0.8 . . . . ?
C87_1 C97_1 C98_1 C90_1 -0.6 . . . . ?
C96_1 C97_1 C98_1 C90_1 -142.8 . . . . ?
C87_1 C97_1 C98_1 C94_1 142.9 . . . . ?
C96_1 C97_1 C98_1 C94_1 0.7 . . . . ?
C47_2 C39_2 C40_2 C50_2 1.0 . . . . ?
C43_2 C39_2 C40_2 C50_2 142.5 . . . . ?
C47_2 C39_2 C40_2 C41_2 -142.5 . . . . ?
C43_2 C39_2 C40_2 C41_2 -1.0 . . . . ?
C50_2 C40_2 C41_2 C53_2 -1.8 . . . . ?
C39_2 C40_2 C41_2 C53_2 141.9 . . . . ?
C50_2 C40_2 C41_2 C42_2 -143.4 . . . . ?
C39_2 C40_2 C41_2 C42_2 0.3 . . . . ?
C53_2 C41_2 C42_2 C56_2 -0.1 . . . . ?
C40_2 C41_2 C42_2 C56_2 142.2 . . . . ?
C53_2 C41_2 C42_2 C43_2 -141.9 . . . . ?
C40_2 C41_2 C42_2 C43_2 0.5 . . . . ?
C47_2 C39_2 C43_2 C44_2 -2.1 . . . . ?
C40_2 C39_2 C43_2 C44_2 -142.3 . . . . ?
C47_2 C39_2 C43_2 C42_2 141.5 . . . . ?
C40_2 C39_2 C43_2 C42_2 1.3 . . . . ?
C56_2 C42_2 C43_2 C44_2 1.5 . . . . ?
C41_2 C42_2 C43_2 C44_2 142.3 . . . . ?
C56_2 C42_2 C43_2 C39_2 -141.9 . . . . ?
C41_2 C42_2 C43_2 C39_2 -1.1 . . . . ?
C39_2 C43_2 C44_2 C58_2 139.3 . . . . ?
C42_2 C43_2 C44_2 C58_2 -0.3 . . . . ?
C39_2 C43_2 C44_2 C45_2 0.5 . . . . ?
C42_2 C43_2 C44_2 C45_2 -139.2 . . . . ?
C43_2 C44_2 C45_2 C46_2 1.3 . . . . ?
C58_2 C44_2 C45_2 C46_2 -142.2 . . . . ?
C43_2 C44_2 C45_2 C60_2 142.4 . . . . ?
C58_2 C44_2 C45_2 C60_2 -1.0 . . . . ?
C60_2 C45_2 C46_2 C63_2 -0.8 . . . . ?
C44_2 C45_2 C46_2 C63_2 137.0 . . . . ?
C60_2 C45_2 C46_2 C47_2 -139.2 . . . . ?
C44_2 C45_2 C46_2 C47_2 -1.5 . . . . ?
C43_2 C39_2 C47_2 C48_2 -135.6 . . . . ?
C40_2 C39_2 C47_2 C48_2 0.5 . . . . ?
C43_2 C39_2 C47_2 C46_2 1.8 . . . . ?
C40_2 C39_2 C47_2 C46_2 138.0 . . . . ?
C63_2 C46_2 C47_2 C39_2 -143.3 . . . . ?
C45_2 C46_2 C47_2 C39_2 0.0 . . . . ?
C63_2 C46_2 C47_2 C48_2 1.5 . . . . ?
C45_2 C46_2 C47_2 C48_2 144.8 . . . . ?
C39_2 C47_2 C48_2 C64_2 141.0 . . . . ?
C46_2 C47_2 C48_2 C64_2 -2.1 . . . . ?
C39_2 C47_2 C48_2 C49_2 -1.9 . . . . ?
C46_2 C47_2 C48_2 C49_2 -145.0 . . . . ?
C64_2 C48_2 C49_2 C50_2 -136.4 . . . . ?
C47_2 C48_2 C49_2 C50_2 1.9 . . . . ?
C64_2 C48_2 C49_2 C67_2 1.6 . . . . ?
C47_2 C48_2 C49_2 C67_2 139.9 . . . . ?
C41_2 C40_2 C50_2 C49_2 138.6 . . . . ?
C39_2 C40_2 C50_2 C49_2 -0.9 . . . . ?
C41_2 C40_2 C50_2 C51_2 1.3 . . . . ?
C39_2 C40_2 C50_2 C51_2 -138.3 . . . . ?
C48_2 C49_2 C50_2 C40_2 -0.6 . . . . ?
C67_2 C49_2 C50_2 C40_2 -141.4 . . . . ?
C48_2 C49_2 C50_2 C51_2 141.0 . . . . ?
C67_2 C49_2 C50_2 C51_2 0.2 . . . . ?
C40_2 C50_2 C51_2 C52_2 -0.8 . . . . ?
C49_2 C50_2 C51_2 C52_2 -142.9 . . . . ?
C40_2 C50_2 C51_2 C68_2 142.8 . . . . ?
C49_2 C50_2 C51_2 C68_2 0.7 . . . . ?
C68_2 C51_2 C52_2 C71_2 -0.2 . . . . ?
C50_2 C51_2 C52_2 C71_2 138.9 . . . . ?
C68_2 C51_2 C52_2 C53_2 -138.2 . . . . ?
C50_2 C51_2 C52_2 C53_2 0.8 . . . . ?
C40_2 C41_2 C53_2 C54_2 -136.7 . . . . ?
C42_2 C41_2 C53_2 C54_2 0.1 . . . . ?
C40_2 C41_2 C53_2 C52_2 1.9 . . . . ?
C42_2 C41_2 C53_2 C52_2 138.7 . . . . ?
C51_2 C52_2 C53_2 C41_2 -1.4 . . . . ?
C71_2 C52_2 C53_2 C41_2 -143.3 . . . . ?
C51_2 C52_2 C53_2 C54_2 142.5 . . . . ?
C71_2 C52_2 C53_2 C54_2 0.6 . . . . ?
C41_2 C53_2 C54_2 C55_2 0.0 . . . . ?
C52_2 C53_2 C54_2 C55_2 -143.1 . . . . ?
C41_2 C53_2 C54_2 C72_2 142.7 . . . . ?
C52_2 C53_2 C54_2 C72_2 -0.4 . . . . ?
C72_2 C54_2 C55_2 C56_2 -138.3 . . . . ?
C53_2 C54_2 C55_2 C56_2 0.0 . . . . ?
C72_2 C54_2 C55_2 C75_2 1.2 . . . . ?
C53_2 C54_2 C55_2 C75_2 139.5 . . . . ?
C43_2 C42_2 C56_2 C55_2 136.9 . . . . ?
C41_2 C42_2 C56_2 C55_2 0.1 . . . . ?
C43_2 C42_2 C56_2 C57_2 -1.3 . . . . ?
C41_2 C42_2 C56_2 C57_2 -138.1 . . . . ?
C54_2 C55_2 C56_2 C42_2 0.0 . . . . ?
C75_2 C55_2 C56_2 C42_2 -143.6 . . . . ?
C54_2 C55_2 C56_2 C57_2 142.4 . . . . ?
C75_2 C55_2 C56_2 C57_2 -1.2 . . . . ?
C42_2 C56_2 C57_2 C58_2 -0.1 . . . . ?
C55_2 C56_2 C57_2 C58_2 -143.0 . . . . ?
C42_2 C56_2 C57_2 C76_2 144.1 . . . . ?
C55_2 C56_2 C57_2 C76_2 1.2 . . . . ?
C76_2 C57_2 C58_2 C44_2 -138.4 . . . . ?
C56_2 C57_2 C58_2 C44_2 1.2 . . . . ?
C76_2 C57_2 C58_2 C59_2 -1.6 . . . . ?
C56_2 C57_2 C58_2 C59_2 138.0 . . . . ?
C43_2 C44_2 C58_2 C57_2 -1.0 . . . . ?
C45_2 C44_2 C58_2 C57_2 142.7 . . . . ?
C43_2 C44_2 C58_2 C59_2 -142.1 . . . . ?
C45_2 C44_2 C58_2 C59_2 1.6 . . . . ?
C57_2 C58_2 C59_2 C78_2 2.0 . . . . ?
C44_2 C58_2 C59_2 C78_2 143.5 . . . . ?
C57_2 C58_2 C59_2 C60_2 -143.0 . . . . ?
C44_2 C58_2 C59_2 C60_2 -1.6 . . . . ?
C46_2 C45_2 C60_2 C61_2 0.7 . . . . ?
C44_2 C45_2 C60_2 C61_2 -141.7 . . . . ?
C46_2 C45_2 C60_2 C59_2 142.4 . . . . ?
C44_2 C45_2 C60_2 C59_2 0.1 . . . . ?
C78_2 C59_2 C60_2 C61_2 -0.9 . . . . ?
C58_2 C59_2 C60_2 C61_2 143.5 . . . . ?
C78_2 C59_2 C60_2 C45_2 -143.4 . . . . ?
C58_2 C59_2 C60_2 C45_2 0.9 . . . . ?
C45_2 C60_2 C61_2 C80_2 138.1 . . . . ?
C59_2 C60_2 C61_2 C80_2 0.5 . . . . ?
C45_2 C60_2 C61_2 C62_2 -0.7 . . . . ?
C59_2 C60_2 C61_2 C62_2 -138.4 . . . . ?
C60_2 C61_2 C62_2 C63_2 0.9 . . . . ?
C80_2 C61_2 C62_2 C63_2 -142.0 . . . . ?
C60_2 C61_2 C62_2 C82_2 143.2 . . . . ?
C80_2 C61_2 C62_2 C82_2 0.3 . . . . ?
C61_2 C62_2 C63_2 C46_2 -1.0 . . . . ?
C82_2 C62_2 C63_2 C46_2 -138.1 . . . . ?
C61_2 C62_2 C63_2 C64_2 137.5 . . . . ?
C82_2 C62_2 C63_2 C64_2 0.4 . . . . ?
C45_2 C46_2 C63_2 C62_2 1.0 . . . . ?
C47_2 C46_2 C63_2 C62_2 142.4 . . . . ?
C45_2 C46_2 C63_2 C64_2 -141.8 . . . . ?
C47_2 C46_2 C63_2 C64_2 -0.4 . . . . ?
C49_2 C48_2 C64_2 C65_2 -2.0 . . . . ?
C47_2 C48_2 C64_2 C65_2 -141.9 . . . . ?
C49_2 C48_2 C64_2 C63_2 141.8 . . . . ?
C47_2 C48_2 C64_2 C63_2 2.0 . . . . ?
C62_2 C63_2 C64_2 C48_2 -144.0 . . . . ?
C46_2 C63_2 C64_2 C48_2 -1.0 . . . . ?
C62_2 C63_2 C64_2 C65_2 -0.1 . . . . ?
C46_2 C63_2 C64_2 C65_2 142.9 . . . . ?
C48_2 C64_2 C65_2 C83_2 139.7 . . . . ?
C63_2 C64_2 C65_2 C83_2 0.2 . . . . ?
C48_2 C64_2 C65_2 C66_2 1.6 . . . . ?
C63_2 C64_2 C65_2 C66_2 -137.9 . . . . ?
C64_2 C65_2 C66_2 C67_2 -0.8 . . . . ?
C83_2 C65_2 C66_2 C67_2 -143.3 . . . . ?
C64_2 C65_2 C66_2 C85_2 142.8 . . . . ?
C83_2 C65_2 C66_2 C85_2 0.3 . . . . ?
C65_2 C66_2 C67_2 C68_2 138.1 . . . . ?
C85_2 C66_2 C67_2 C68_2 -1.5 . . . . ?
C65_2 C66_2 C67_2 C49_2 0.4 . . . . ?
C85_2 C66_2 C67_2 C49_2 -139.2 . . . . ?
C48_2 C49_2 C67_2 C66_2 -0.7 . . . . ?
C50_2 C49_2 C67_2 C66_2 142.5 . . . . ?
C48_2 C49_2 C67_2 C68_2 -144.2 . . . . ?
C50_2 C49_2 C67_2 C68_2 -1.0 . . . . ?
C52_2 C51_2 C68_2 C69_2 -0.6 . . . . ?
C50_2 C51_2 C68_2 C69_2 -144.1 . . . . ?
C52_2 C51_2 C68_2 C67_2 142.1 . . . . ?
C50_2 C51_2 C68_2 C67_2 -1.3 . . . . ?
C66_2 C67_2 C68_2 C69_2 0.7 . . . . ?
C49_2 C67_2 C68_2 C69_2 143.6 . . . . ?
C66_2 C67_2 C68_2 C51_2 -141.5 . . . . ?
C49_2 C67_2 C68_2 C51_2 1.4 . . . . ?
C51_2 C68_2 C69_2 C70_2 1.9 . . . . ?
C67_2 C68_2 C69_2 C70_2 -136.8 . . . . ?
C51_2 C68_2 C69_2 C86_2 138.7 . . . . ?
C67_2 C68_2 C69_2 C86_2 0.1 . . . . ?
C68_2 C69_2 C70_2 C71_2 -2.2 . . . . ?
C86_2 C69_2 C70_2 C71_2 -143.1 . . . . ?
C68_2 C69_2 C70_2 C88_2 141.8 . . . . ?
C86_2 C69_2 C70_2 C88_2 0.9 . . . . ?
C69_2 C70_2 C71_2 C72_2 139.4 . . . . ?
C88_2 C70_2 C71_2 C72_2 -0.9 . . . . ?
C69_2 C70_2 C71_2 C52_2 1.3 . . . . ?
C88_2 C70_2 C71_2 C52_2 -139.0 . . . . ?
C51_2 C52_2 C71_2 C70_2 -0.1 . . . . ?
C53_2 C52_2 C71_2 C70_2 142.1 . . . . ?
C51_2 C52_2 C71_2 C72_2 -142.8 . . . . ?
C53_2 C52_2 C71_2 C72_2 -0.5 . . . . ?
C70_2 C71_2 C72_2 C73_2 0.8 . . . . ?
C52_2 C71_2 C72_2 C73_2 143.7 . . . . ?
C70_2 C71_2 C72_2 C54_2 -142.6 . . . . ?
C52_2 C71_2 C72_2 C54_2 0.3 . . . . ?
C55_2 C54_2 C72_2 C73_2 -1.1 . . . . ?
C53_2 C54_2 C72_2 C73_2 -143.3 . . . . ?
C55_2 C54_2 C72_2 C71_2 142.3 . . . . ?
C53_2 C54_2 C72_2 C71_2 0.1 . . . . ?
C71_2 C72_2 C73_2 C89_2 -0.7 . . . . ?
C54_2 C72_2 C73_2 C89_2 138.4 . . . . ?
C71_2 C72_2 C73_2 C74_2 -137.9 . . . . ?
C54_2 C72_2 C73_2 C74_2 1.2 . . . . ?
C89_2 C73_2 C74_2 C91_2 0.7 . . . . ?
C72_2 C73_2 C74_2 C91_2 141.8 . . . . ?
C89_2 C73_2 C74_2 C75_2 -142.6 . . . . ?
C72_2 C73_2 C74_2 C75_2 -1.5 . . . . ?
C91_2 C74_2 C75_2 C76_2 -1.7 . . . . ?
C73_2 C74_2 C75_2 C76_2 137.9 . . . . ?
C91_2 C74_2 C75_2 C55_2 -137.9 . . . . ?
C73_2 C74_2 C75_2 C55_2 1.7 . . . . ?
C54_2 C55_2 C75_2 C74_2 -1.6 . . . . ?
C56_2 C55_2 C75_2 C74_2 142.3 . . . . ?
C54_2 C55_2 C75_2 C76_2 -143.1 . . . . ?
C56_2 C55_2 C75_2 C76_2 0.7 . . . . ?
C58_2 C57_2 C76_2 C77_2 0.1 . . . . ?
C56_2 C57_2 C76_2 C77_2 -143.5 . . . . ?
C58_2 C57_2 C76_2 C75_2 142.9 . . . . ?
C56_2 C57_2 C76_2 C75_2 -0.7 . . . . ?
C74_2 C75_2 C76_2 C77_2 1.6 . . . . ?
C55_2 C75_2 C76_2 C77_2 142.8 . . . . ?
C74_2 C75_2 C76_2 C57_2 -141.2 . . . . ?
C55_2 C75_2 C76_2 C57_2 0.0 . . . . ?
C57_2 C76_2 C77_2 C92_2 137.2 . . . . ?
C75_2 C76_2 C77_2 C92_2 -1.5 . . . . ?
C57_2 C76_2 C77_2 C78_2 1.0 . . . . ?
C75_2 C76_2 C77_2 C78_2 -137.8 . . . . ?
C60_2 C59_2 C78_2 C79_2 1.7 . . . . ?
C58_2 C59_2 C78_2 C79_2 -138.5 . . . . ?
C60_2 C59_2 C78_2 C77_2 139.3 . . . . ?
C58_2 C59_2 C78_2 C77_2 -1.0 . . . . ?
C76_2 C77_2 C78_2 C59_2 -0.6 . . . . ?
C92_2 C77_2 C78_2 C59_2 -143.5 . . . . ?
C76_2 C77_2 C78_2 C79_2 140.9 . . . . ?
C92_2 C77_2 C78_2 C79_2 -2.0 . . . . ?
C59_2 C78_2 C79_2 C80_2 -2.2 . . . . ?
C77_2 C78_2 C79_2 C80_2 -142.8 . . . . ?
C59_2 C78_2 C79_2 C93_2 141.8 . . . . ?
C77_2 C78_2 C79_2 C93_2 1.2 . . . . ?
C93_2 C79_2 C80_2 C61_2 -137.4 . . . . ?
C78_2 C79_2 C80_2 C61_2 1.9 . . . . ?
C93_2 C79_2 C80_2 C81_2 -0.3 . . . . ?
C78_2 C79_2 C80_2 C81_2 139.0 . . . . ?
C60_2 C61_2 C80_2 C79_2 -1.0 . . . . ?
C62_2 C61_2 C80_2 C79_2 141.3 . . . . ?
C60_2 C61_2 C80_2 C81_2 -142.2 . . . . ?
C62_2 C61_2 C80_2 C81_2 0.2 . . . . ?
C79_2 C80_2 C81_2 C95_2 0.4 . . . . ?
C61_2 C80_2 C81_2 C95_2 142.8 . . . . ?
C79_2 C80_2 C81_2 C82_2 -143.0 . . . . ?
C61_2 C80_2 C81_2 C82_2 -0.6 . . . . ?
C95_2 C81_2 C82_2 C83_2 0.4 . . . . ?
C80_2 C81_2 C82_2 C83_2 143.2 . . . . ?
C95_2 C81_2 C82_2 C62_2 -142.0 . . . . ?
C80_2 C81_2 C82_2 C62_2 0.8 . . . . ?
C63_2 C62_2 C82_2 C83_2 -0.9 . . . . ?
C61_2 C62_2 C82_2 C83_2 -143.2 . . . . ?
C63_2 C62_2 C82_2 C81_2 141.6 . . . . ?
C61_2 C62_2 C82_2 C81_2 -0.7 . . . . ?
C81_2 C82_2 C83_2 C65_2 -137.5 . . . . ?
C62_2 C82_2 C83_2 C65_2 1.0 . . . . ?
C81_2 C82_2 C83_2 C84_2 -0.2 . . . . ?
C62_2 C82_2 C83_2 C84_2 138.3 . . . . ?
C64_2 C65_2 C83_2 C82_2 -0.7 . . . . ?
C66_2 C65_2 C83_2 C82_2 141.7 . . . . ?
C64_2 C65_2 C83_2 C84_2 -141.9 . . . . ?
C66_2 C65_2 C83_2 C84_2 0.6 . . . . ?
C82_2 C83_2 C84_2 C96_2 0.0 . . . . ?
C65_2 C83_2 C84_2 C96_2 141.7 . . . . ?
C82_2 C83_2 C84_2 C85_2 -142.9 . . . . ?
C65_2 C83_2 C84_2 C85_2 -1.2 . . . . ?
C67_2 C66_2 C85_2 C86_2 1.5 . . . . ?
C65_2 C66_2 C85_2 C86_2 -142.5 . . . . ?
C67_2 C66_2 C85_2 C84_2 143.0 . . . . ?
C65_2 C66_2 C85_2 C84_2 -1.0 . . . . ?
C96_2 C84_2 C85_2 C86_2 -0.1 . . . . ?
C83_2 C84_2 C85_2 C86_2 143.1 . . . . ?
C96_2 C84_2 C85_2 C66_2 -141.8 . . . . ?
C83_2 C84_2 C85_2 C66_2 1.3 . . . . ?
C66_2 C85_2 C86_2 C87_2 137.2 . . . . ?
C84_2 C85_2 C86_2 C87_2 0.5 . . . . ?
C66_2 C85_2 C86_2 C69_2 -0.8 . . . . ?
C84_2 C85_2 C86_2 C69_2 -137.5 . . . . ?
C68_2 C69_2 C86_2 C85_2 0.0 . . . . ?
C70_2 C69_2 C86_2 C85_2 142.7 . . . . ?
C68_2 C69_2 C86_2 C87_2 -143.0 . . . . ?
C70_2 C69_2 C86_2 C87_2 -0.3 . . . . ?
C85_2 C86_2 C87_2 C97_2 0.1 . . . . ?
C69_2 C86_2 C87_2 C97_2 142.8 . . . . ?
C85_2 C86_2 C87_2 C88_2 -143.1 . . . . ?
C69_2 C86_2 C87_2 C88_2 -0.3 . . . . ?
C71_2 C70_2 C88_2 C89_2 1.0 . . . . ?
C69_2 C70_2 C88_2 C89_2 -142.5 . . . . ?
C71_2 C70_2 C88_2 C87_2 142.3 . . . . ?
C69_2 C70_2 C88_2 C87_2 -1.1 . . . . ?
C97_2 C87_2 C88_2 C89_2 -3.1 . . . . ?
C86_2 C87_2 C88_2 C89_2 140.0 . . . . ?
C97_2 C87_2 C88_2 C70_2 -142.2 . . . . ?
C86_2 C87_2 C88_2 C70_2 0.9 . . . . ?
C72_2 C73_2 C89_2 C88_2 0.8 . . . . ?
C74_2 C73_2 C89_2 C88_2 142.1 . . . . ?
C72_2 C73_2 C89_2 C90_2 -142.0 . . . . ?
C74_2 C73_2 C89_2 C90_2 -0.7 . . . . ?
C70_2 C88_2 C89_2 C73_2 -0.9 . . . . ?
C87_2 C88_2 C89_2 C73_2 -136.1 . . . . ?
C70_2 C88_2 C89_2 C90_2 140.0 . . . . ?
C87_2 C88_2 C89_2 C90_2 4.8 . . . . ?
C73_2 C89_2 C90_2 C98_2 141.2 . . . . ?
C88_2 C89_2 C90_2 C98_2 -4.8 . . . . ?
C73_2 C89_2 C90_2 C91_2 0.4 . . . . ?
C88_2 C89_2 C90_2 C91_2 -145.6 . . . . ?
C75_2 C74_2 C91_2 C92_2 1.7 . . . . ?
C73_2 C74_2 C91_2 C92_2 -142.2 . . . . ?
C75_2 C74_2 C91_2 C90_2 143.5 . . . . ?
C73_2 C74_2 C91_2 C90_2 -0.4 . . . . ?
C98_2 C90_2 C91_2 C74_2 -141.5 . . . . ?
C89_2 C90_2 C91_2 C74_2 0.0 . . . . ?
C98_2 C90_2 C91_2 C92_2 4.0 . . . . ?
C89_2 C90_2 C91_2 C92_2 145.6 . . . . ?
C74_2 C91_2 C92_2 C93_2 135.4 . . . . ?
C90_2 C91_2 C92_2 C93_2 -4.7 . . . . ?
C74_2 C91_2 C92_2 C77_2 -1.5 . . . . ?
C90_2 C91_2 C92_2 C77_2 -141.6 . . . . ?
C76_2 C77_2 C92_2 C91_2 1.5 . . . . ?
C78_2 C77_2 C92_2 C91_2 144.5 . . . . ?
C76_2 C77_2 C92_2 C93_2 -140.9 . . . . ?
C78_2 C77_2 C92_2 C93_2 2.2 . . . . ?
C80_2 C79_2 C93_2 C94_2 -0.5 . . . . ?
C78_2 C79_2 C93_2 C94_2 -143.3 . . . . ?
C80_2 C79_2 C93_2 C92_2 143.0 . . . . ?
C78_2 C79_2 C93_2 C92_2 0.2 . . . . ?
C91_2 C92_2 C93_2 C94_2 4.0 . . . . ?
C77_2 C92_2 C93_2 C94_2 142.6 . . . . ?
C91_2 C92_2 C93_2 C79_2 -140.2 . . . . ?
C77_2 C92_2 C93_2 C79_2 -1.5 . . . . ?
C79_2 C93_2 C94_2 C98_2 137.6 . . . . ?
C92_2 C93_2 C94_2 C98_2 -2.0 . . . . ?
C79_2 C93_2 C94_2 C95_2 1.1 . . . . ?
C92_2 C93_2 C94_2 C95_2 -138.6 . . . . ?
C82_2 C81_2 C95_2 C96_2 -0.4 . . . . ?
C80_2 C81_2 C95_2 C96_2 -138.9 . . . . ?
C82_2 C81_2 C95_2 C94_2 138.7 . . . . ?
C80_2 C81_2 C95_2 C94_2 0.2 . . . . ?
C93_2 C94_2 C95_2 C81_2 -1.0 . . . . ?
C98_2 C94_2 C95_2 C81_2 -142.4 . . . . ?
C93_2 C94_2 C95_2 C96_2 142.1 . . . . ?
C98_2 C94_2 C95_2 C96_2 0.7 . . . . ?
C83_2 C84_2 C96_2 C95_2 0.0 . . . . ?
C85_2 C84_2 C96_2 C95_2 138.5 . . . . ?
C83_2 C84_2 C96_2 C97_2 -139.3 . . . . ?
C85_2 C84_2 C96_2 C97_2 -0.8 . . . . ?
C81_2 C95_2 C96_2 C84_2 0.2 . . . . ?
C94_2 C95_2 C96_2 C84_2 -143.7 . . . . ?
C81_2 C95_2 C96_2 C97_2 143.7 . . . . ?
C94_2 C95_2 C96_2 C97_2 -0.2 . . . . ?
C86_2 C87_2 C97_2 C98_2 -138.4 . . . . ?
C88_2 C87_2 C97_2 C98_2 0.7 . . . . ?
C86_2 C87_2 C97_2 C96_2 -1.0 . . . . ?
C88_2 C87_2 C97_2 C96_2 138.2 . . . . ?
C84_2 C96_2 C97_2 C87_2 1.4 . . . . ?
C95_2 C96_2 C97_2 C87_2 -142.6 . . . . ?
C84_2 C96_2 C97_2 C98_2 143.6 . . . . ?
C95_2 C96_2 C97_2 C98_2 -0.3 . . . . ?
C89_2 C90_2 C98_2 C94_2 -136.1 . . . . ?
C91_2 C90_2 C98_2 C94_2 -2.5 . . . . ?
C89_2 C90_2 C98_2 C97_2 2.7 . . . . ?
C91_2 C90_2 C98_2 C97_2 136.4 . . . . ?
C93_2 C94_2 C98_2 C90_2 1.4 . . . . ?
C95_2 C94_2 C98_2 C90_2 141.9 . . . . ?
C93_2 C94_2 C98_2 C97_2 -141.3 . . . . ?
C95_2 C94_2 C98_2 C97_2 -0.8 . . . . ?
C87_2 C97_2 C98_2 C90_2 -0.6 . . . . ?
C96_2 C97_2 C98_2 C90_2 -142.8 . . . . ?
C87_2 C97_2 C98_2 C94_2 142.9 . . . . ?
C96_2 C97_2 C98_2 C94_2 0.7 . . . . ?

_refine_diff_density_max         1.380
_refine_diff_density_min         -1.236
_refine_diff_density_rms         0.154

_shelxl_version_number           2012-9



_database_code_depnum_ccdc_archive 'CCDC 1016155'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_(1)
#  Compound (1) at 90 K
_audit_creation_method           SHELXL-2014
_chemical_name_systematic        (1)
_chemical_name_common            {Rh2(O2CCH3)4N(CH2CH2)2NC60}n.2nCS2
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H10 N O4 Rh, C S2'
_chemical_formula_sum            'C37 H10 N O4 Rh S2'
_chemical_formula_weight         699.49

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'
S S 0.1246 0.1234 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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.
;

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'

_cell_length_a                   15.7899(14)
_cell_length_b                   19.3598(17)
_cell_length_c                   15.8920(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4858.0(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9507
_cell_measurement_theta_min      2.77
_cell_measurement_theta_max      33.36

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_F_000             2784
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.490
_exptl_crystal_size_mid          0.315
_exptl_crystal_size_min          0.280
_exptl_absorpt_coefficient_mu    0.928
_shelx_estimated_absorpt_T_min   0.659
_shelx_estimated_absorpt_T_max   0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6494
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45943
_diffrn_reflns_av_unetI/netI     0.0080
_diffrn_reflns_av_R_equivalents  0.0162
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.563
_diffrn_reflns_theta_max         25.680
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4762
_reflns_number_gt                4681
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0362P)²+9.2202P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4762
_refine_ls_number_parameters     414
_refine_ls_number_restraints     192
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0729
_refine_ls_wR_factor_gt          0.0726
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_restrained_S_all      1.135
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.85134(13) 0.29206(11) 0.00412(13) 0.0106(4) Uani 1 1 d . U . . .
C2 C 0.79091(13) 0.32390(12) 0.06902(15) 0.0163(4) Uani 1 1 d . U . . .
C3 C 0.75229(14) 0.28792(13) 0.13241(14) 0.0199(5) Uani 1 1 d . U . . .
C4 C 0.67155(16) 0.31037(15) 0.16567(16) 0.0275(6) Uani 1 1 d . U . . .
C5 C 0.6225(2) 0.2500 0.1862(2) 0.0303(9) Uani 1 2 d S TU P . .
C6 C 0.5345(2) 0.2500 0.1739(3) 0.0314(9) Uani 1 2 d S TU P . .
C7 C 0.49394(16) 0.31006(15) 0.13879(19) 0.0312(6) Uani 1 1 d . U . . .
C8 C 0.42780(15) 0.28720(14) 0.08136(19) 0.0288(6) Uani 1 1 d . U . . .
C9 C 0.41206(15) 0.32316(14) 0.0077(2) 0.0287(6) Uani 1 1 d . U . . .
C10 C 0.39613(15) 0.28587(14) -0.0704(2) 0.0320(6) Uani 1 1 d . U . . .
C11 C 0.43580(17) 0.32416(17) -0.1375(2) 0.0381(7) Uani 1 1 d . U . . .
C12 C 0.47392(18) 0.2879(2) -0.2029(2) 0.0468(9) Uani 1 1 d . U . . .
C13 C 0.5552(2) 0.3115(2) -0.2359(2) 0.0521(10) Uani 1 1 d . U . . .
C14 C 0.6038(3) 0.2500 -0.2566(3) 0.0528(14) Uani 1 2 d S TU P . .
C15 C 0.6923(3) 0.2500 -0.2410(2) 0.0450(12) Uani 1 2 d S TU P . .
C16 C 0.73219(17) 0.3109(2) -0.20626(17) 0.0409(8) Uani 1 1 d . U . . .
C17 C 0.79900(15) 0.28801(15) -0.14917(15) 0.0265(6) Uani 1 1 d . U . . .
C18 C 0.81482(13) 0.32397(12) -0.07691(15) 0.0187(5) Uani 1 1 d . U . . .
C19 C 0.76318(14) 0.38235(12) -0.05572(19) 0.0263(6) Uani 1 1 d . U . . .
C20 C 0.74835(15) 0.38210(12) 0.03295(19) 0.0245(5) Uani 1 1 d . U . . .
C21 C 0.67116(16) 0.40540(13) 0.0659(2) 0.0313(6) Uani 1 1 d . U . . .
C22 C 0.63233(16) 0.36804(15) 0.13319(19) 0.0306(6) Uani 1 1 d . U . . .
C23 C 0.54131(17) 0.36810(15) 0.1196(2) 0.0326(7) Uani 1 1 d . U . . .
C24 C 0.52476(16) 0.40580(14) 0.0439(2) 0.0343(7) Uani 1 1 d . U . . .
C25 C 0.46123(17) 0.38423(14) -0.0117(2) 0.0318(7) Uani 1 1 d . U . . .
C26 C 0.47590(16) 0.38471(15) -0.1006(2) 0.0393(8) Uani 1 1 d . U . . .
C27 C 0.55397(18) 0.40736(17) -0.1331(2) 0.0430(8) Uani 1 1 d . U . . .
C28 C 0.59304(19) 0.3697(2) -0.2022(2) 0.0495(10) Uani 1 1 d . U . . .
C29 C 0.68495(18) 0.36974(19) -0.1867(2) 0.0439(9) Uani 1 1 d . U . . .
C30 C 0.70057(17) 0.40626(15) -0.1106(2) 0.0374(8) Uani 1 1 d . U . . .
C31 C 0.61923(17) 0.43014(14) -0.0754(3) 0.0401(8) Uani 1 1 d . U . . .
C32 C 0.60545(18) 0.42929(14) 0.0098(2) 0.0358(8) Uani 1 1 d . U . . .
C33 C 0.97314(14) 0.29010(11) 0.09850(14) 0.0146(4) Uani 1 1 d . . . . .
H33A H 0.9373 0.3071 0.1453 0.017 Uiso 1 1 calc R U . . .
H33B H 1.0315 0.3071 0.1077 0.017 Uiso 1 1 calc R U . . .
C34 C 0.99380(14) 0.28958(11) -0.05207(15) 0.0149(4) Uani 1 1 d . . . . .
H34A H 1.0526 0.3065 -0.0455 0.018 Uiso 1 1 calc R U . . .
H34B H 0.9720 0.3065 -0.1067 0.018 Uiso 1 1 calc R U . . .
C35 C 1.06096(13) 0.50333(11) 0.15224(14) 0.0129(4) Uani 1 1 d . . . . .
C36 C 1.09879(15) 0.50650(12) 0.23875(14) 0.0180(5) Uani 1 1 d . . . . .
H36A H 1.1195 0.5534 0.2497 0.027 Uiso 1 1 calc R U . . .
H36B H 1.1460 0.4738 0.2426 0.027 Uiso 1 1 calc R U . . .
H36C H 1.0556 0.4944 0.2805 0.027 Uiso 1 1 calc R U . . .
C37 C 1.14541(13) 0.45783(11) -0.05969(14) 0.0128(4) Uani 1 1 d . . . . .
C38 C 1.22853(14) 0.43319(11) -0.09538(16) 0.0176(5) Uani 1 1 d . . . . .
H38A H 1.2385 0.4554 -0.1499 0.026 Uiso 1 1 calc R U . . .
H38B H 1.2266 0.3830 -0.1029 0.026 Uiso 1 1 calc R U . . .
H38C H 1.2745 0.4451 -0.0566 0.026 Uiso 1 1 calc R U . . .
C39 C 1.20963(18) 0.59872(16) -0.31744(17) 0.0322(6) Uani 1 1 d . . . . .
N1 N 0.94039(11) 0.31756(9) 0.01736(11) 0.0113(4) Uani 1 1 d . . . . .
O1 O 1.02706(10) 0.44686(8) 0.12980(11) 0.0148(3) Uani 1 1 d . . . . .
O2 O 1.06655(10) 0.55777(7) 0.10858(10) 0.0138(3) Uani 1 1 d . . . . .
O3 O 1.09447(9) 0.41222(8) -0.03325(10) 0.0151(3) Uani 1 1 d . . . . .
O4 O 1.13257(9) 0.52226(8) -0.05820(10) 0.0142(3) Uani 1 1 d . . . . .
Rh1 Rh 0.97830(2) 0.44093(2) 0.01070(2) 0.00960(7) Uani 1 1 d . . . . .
S1 S 1.14443(5) 0.56948(4) -0.25424(5) 0.03054(16) Uani 1 1 d . . . . .
S2 S 1.27667(5) 0.62893(6) -0.37873(5) 0.0517(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 1.505(3) . ?
C1 C2 1.534(3) . ?
C1 C18 1.540(3) . ?
C1 C1 1.629(4) 7_565 ?
C2 C3 1.368(3) . ?
C2 C20 1.432(3) . ?
C3 C4 1.447(3) . ?
C3 C3 1.468(5) 7_565 ?
C4 C22 1.377(4) . ?
C4 C5 1.440(4) . ?
C5 C6 1.402(5) . ?
C5 C4 1.440(4) 7_565 ?
C6 C7 1.440(4) . ?
C6 C7 1.440(4) 7_565 ?
C7 C23 1.384(4) . ?
C7 C8 1.456(4) . ?
C8 C9 1.384(4) . ?
C8 C8 1.440(5) 7_565 ?
C9 C25 1.448(4) . ?
C9 C10 1.458(4) . ?
C10 C10 1.389(6) 7_565 ?
C10 C11 1.442(4) . ?
C11 C12 1.392(5) . ?
C11 C26 1.456(5) . ?
C12 C13 1.460(5) . ?
C12 C12 1.466(8) 7_565 ?
C13 C28 1.384(6) . ?
C13 C14 1.455(5) . ?
C14 C15 1.419(6) . ?
C14 C13 1.455(5) 7_565 ?
C15 C16 1.446(4) . ?
C15 C16 1.446(4) 7_565 ?
C16 C29 1.396(5) . ?
C16 C17 1.460(4) . ?
C17 C18 1.366(4) . ?
C17 C17 1.472(6) 7_565 ?
C18 C19 1.434(3) . ?
C19 C30 1.398(4) . ?
C19 C20 1.429(4) . ?
C20 C21 1.401(4) . ?
C21 C22 1.429(4) . ?
C21 C32 1.445(4) . ?
C22 C23 1.453(4) . ?
C23 C24 1.431(5) . ?
C24 C25 1.400(4) . ?
C24 C32 1.458(4) . ?
C25 C26 1.432(5) . ?
C26 C27 1.407(4) . ?
C27 C31 1.448(5) . ?
C27 C28 1.455(6) . ?
C28 C29 1.472(4) . ?
C29 C30 1.423(5) . ?
C30 C31 1.475(4) . ?
C31 C32 1.371(5) . ?
C33 N1 1.488(3) . ?
C33 C33 1.553(4) 7_565 ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 N1 1.491(3) . ?
C34 C34 1.533(4) 7_565 ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 O2 1.265(3) . ?
C35 O1 1.268(3) . ?
C35 C36 1.500(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 O4 1.264(3) . ?
C37 O3 1.266(3) . ?
C37 C38 1.507(3) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 S1 1.546(3) . ?
C39 S2 1.553(3) . ?
N1 Rh1 2.4647(18) . ?
O1 Rh1 2.0465(17) . ?
O2 Rh1 2.0238(16) 5_765 ?
O3 Rh1 2.0400(15) . ?
O4 Rh1 2.0353(15) 5_765 ?
Rh1 O2 2.0238(16) 5_765 ?
Rh1 O4 2.0354(15) 5_765 ?
Rh1 Rh1 2.4116(4) 5_765 ?

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
N1 C1 C2 110.81(17) . . ?
N1 C1 C18 109.59(16) . . ?
C2 C1 C18 99.67(18) . . ?
N1 C1 C1 109.14(10) . 7_565 ?
C2 C1 C1 113.69(12) . 7_565 ?
C18 C1 C1 113.64(12) . 7_565 ?
C3 C2 C20 119.1(2) . . ?
C3 C2 C1 124.6(2) . . ?
C20 C2 C1 109.8(2) . . ?
C2 C3 C4 120.6(2) . . ?
C2 C3 C3 120.61(14) . 7_565 ?
C4 C3 C3 107.48(15) . 7_565 ?
C22 C4 C5 120.1(2) . . ?
C22 C4 C3 120.2(2) . . ?
C5 C4 C3 108.3(2) . . ?
C6 C5 C4 120.1(2) . 7_565 ?
C6 C5 C4 120.1(2) . . ?
C4 C5 C4 108.5(3) 7_565 . ?
C5 C6 C7 119.66(19) . . ?
C5 C6 C7 119.66(19) . 7_565 ?
C7 C6 C7 107.7(4) . 7_565 ?
C23 C7 C6 120.0(3) . . ?
C23 C7 C8 119.8(3) . . ?
C6 C7 C8 108.5(3) . . ?
C9 C8 C8 120.20(16) . 7_565 ?
C9 C8 C7 120.4(2) . . ?
C8 C8 C7 107.69(16) 7_565 . ?
C8 C9 C25 119.6(3) . . ?
C8 C9 C10 120.1(3) . . ?
C25 C9 C10 108.4(3) . . ?
C10 C10 C11 120.93(18) 7_565 . ?
C10 C10 C9 119.68(16) 7_565 . ?
C11 C10 C9 107.5(3) . . ?
C12 C11 C10 118.7(3) . . ?
C12 C11 C26 121.3(3) . . ?
C10 C11 C26 107.7(3) . . ?
C11 C12 C13 119.3(3) . . ?
C11 C12 C12 120.3(2) . 7_565 ?
C13 C12 C12 108.3(2) . 7_565 ?
C28 C13 C14 121.7(3) . . ?
C28 C13 C12 119.7(4) . . ?
C14 C13 C12 106.7(4) . . ?
C15 C14 C13 118.7(2) . 7_565 ?
C15 C14 C13 118.7(2) . . ?
C13 C14 C13 109.9(4) 7_565 . ?
C14 C15 C16 119.7(2) . . ?
C14 C15 C16 119.7(2) . 7_565 ?
C16 C15 C16 109.2(3) . 7_565 ?
C29 C16 C15 121.1(3) . . ?
C29 C16 C17 119.7(3) . . ?
C15 C16 C17 107.7(3) . . ?
C18 C17 C16 120.0(3) . . ?
C18 C17 C17 120.65(15) . 7_565 ?
C16 C17 C17 107.67(19) . 7_565 ?
C17 C18 C19 119.7(2) . . ?
C17 C18 C1 124.5(2) . . ?
C19 C18 C1 109.4(2) . . ?
C30 C19 C20 120.1(2) . . ?
C30 C19 C18 121.1(3) . . ?
C20 C19 C18 108.8(2) . . ?
C21 C20 C19 120.7(3) . . ?
C21 C20 C2 120.8(3) . . ?
C19 C20 C2 108.7(2) . . ?
C20 C21 C22 119.3(2) . . ?
C20 C21 C32 119.8(3) . . ?
C22 C21 C32 108.4(2) . . ?
C4 C22 C21 119.9(2) . . ?
C4 C22 C23 120.1(3) . . ?
C21 C22 C23 108.2(3) . . ?
C7 C23 C24 120.0(3) . . ?
C7 C23 C22 120.1(3) . . ?
C24 C23 C22 107.8(3) . . ?
C25 C24 C23 120.6(3) . . ?
C25 C24 C32 119.0(3) . . ?
C23 C24 C32 108.2(2) . . ?
C24 C25 C26 120.3(3) . . ?
C24 C25 C9 119.6(3) . . ?
C26 C25 C9 107.6(3) . . ?
C27 C26 C25 120.4(3) . . ?
C27 C26 C11 119.0(3) . . ?
C25 C26 C11 108.8(3) . . ?
C26 C27 C31 119.1(3) . . ?
C26 C27 C28 119.5(3) . . ?
C31 C27 C28 109.2(3) . . ?
C13 C28 C27 121.1(3) . . ?
C13 C28 C29 119.4(4) . . ?
C27 C28 C29 107.0(3) . . ?
C16 C29 C30 120.1(3) . . ?
C16 C29 C28 119.3(4) . . ?
C30 C29 C28 108.2(3) . . ?
C19 C30 C29 119.3(3) . . ?
C19 C30 C31 118.9(3) . . ?
C29 C30 C31 109.1(3) . . ?
C32 C31 C27 120.5(3) . . ?
C32 C31 C30 120.6(3) . . ?
C27 C31 C30 106.5(3) . . ?
C31 C32 C21 120.0(3) . . ?
C31 C32 C24 120.7(3) . . ?
C21 C32 C24 107.3(3) . . ?
N1 C33 C33 110.94(11) . 7_565 ?
N1 C33 H33A 109.5 . . ?
C33 C33 H33A 109.5 7_565 . ?
N1 C33 H33B 109.5 . . ?
C33 C33 H33B 109.5 7_565 . ?
H33A C33 H33B 108.0 . . ?
N1 C34 C34 111.31(11) . 7_565 ?
N1 C34 H34A 109.4 . . ?
C34 C34 H34A 109.4 7_565 . ?
N1 C34 H34B 109.4 . . ?
C34 C34 H34B 109.4 7_565 . ?
H34A C34 H34B 108.0 . . ?
O2 C35 O1 126.4(2) . . ?
O2 C35 C36 116.15(19) . . ?
O1 C35 C36 117.44(19) . . ?
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 125.5(2) . . ?
O4 C37 C38 117.32(19) . . ?
O3 C37 C38 117.21(19) . . ?
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 . . ?
S1 C39 S2 178.3(2) . . ?
C33 N1 C34 108.37(17) . . ?
C33 N1 C1 109.20(16) . . ?
C34 N1 C1 107.81(16) . . ?
C33 N1 Rh1 107.40(12) . . ?
C34 N1 Rh1 100.54(12) . . ?
C1 N1 Rh1 122.60(12) . . ?
C35 O1 Rh1 117.84(14) . . ?
C35 O2 Rh1 119.98(14) . 5_765 ?
C37 O3 Rh1 119.65(14) . . ?
C37 O4 Rh1 119.36(14) . 5_765 ?
O2 Rh1 O4 92.41(6) 5_765 5_765 ?
O2 Rh1 O3 89.85(6) 5_765 . ?
O4 Rh1 O3 174.76(6) 5_765 . ?
O2 Rh1 O1 175.74(6) 5_765 . ?
O4 Rh1 O1 87.76(6) 5_765 . ?
O3 Rh1 O1 89.64(6) . . ?
O2 Rh1 Rh1 87.45(4) 5_765 5_765 ?
O4 Rh1 Rh1 87.98(4) 5_765 5_765 ?
O3 Rh1 Rh1 87.40(4) . 5_765 ?
O1 Rh1 Rh1 88.31(4) . 5_765 ?
O2 Rh1 N1 88.13(6) 5_765 . ?
O4 Rh1 N1 96.57(6) 5_765 . ?
O3 Rh1 N1 88.23(6) . . ?
O1 Rh1 N1 96.08(6) . . ?
Rh1 Rh1 N1 173.78(4) 5_765 . ?

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
N1 C1 C2 C3 -111.2(2) . . . . ?
C18 C1 C2 C3 133.4(2) . . . . ?
C1 C1 C2 C3 12.1(2) 7_565 . . . ?
N1 C1 C2 C20 97.6(2) . . . . ?
C18 C1 C2 C20 -17.8(2) . . . . ?
C1 C1 C2 C20 -139.06(14) 7_565 . . . ?
C20 C2 C3 C4 -3.2(3) . . . . ?
C1 C2 C3 C4 -151.9(2) . . . . ?
C20 C2 C3 C3 135.83(17) . . . 7_565 ?
C1 C2 C3 C3 -12.9(3) . . . 7_565 ?
C2 C3 C4 C22 0.6(4) . . . . ?
C3 C3 C4 C22 -143.1(2) 7_565 . . . ?
C2 C3 C4 C5 143.9(3) . . . . ?
C3 C3 C4 C5 0.2(2) 7_565 . . . ?
C22 C4 C5 C6 -0.6(4) . . . . ?
C3 C4 C5 C6 -144.0(3) . . . . ?
C22 C4 C5 C4 143.1(2) . . . 7_565 ?
C3 C4 C5 C4 -0.3(4) . . . 7_565 ?
C4 C5 C6 C7 -138.0(3) 7_565 . . . ?
C4 C5 C6 C7 1.5(5) . . . . ?
C4 C5 C6 C7 -1.4(5) 7_565 . . 7_565 ?
C4 C5 C6 C7 138.0(3) . . . 7_565 ?
C5 C6 C7 C23 -1.8(5) . . . . ?
C7 C6 C7 C23 -143.0(2) 7_565 . . . ?
C5 C6 C7 C8 141.1(3) . . . . ?
C7 C6 C7 C8 -0.1(4) 7_565 . . . ?
C23 C7 C8 C9 0.0(4) . . . . ?
C6 C7 C8 C9 -143.0(3) . . . . ?
C23 C7 C8 C8 143.1(2) . . . 7_565 ?
C6 C7 C8 C8 0.1(2) . . . 7_565 ?
C8 C8 C9 C25 -139.1(2) 7_565 . . . ?
C7 C8 C9 C25 -0.6(4) . . . . ?
C8 C8 C9 C10 -0.5(3) 7_565 . . . ?
C7 C8 C9 C10 138.0(3) . . . . ?
C8 C9 C10 C10 0.5(3) . . . 7_565 ?
C25 C9 C10 C10 143.23(15) . . . 7_565 ?
C8 C9 C10 C11 -142.6(2) . . . . ?
C25 C9 C10 C11 0.1(3) . . . . ?
C10 C10 C11 C12 0.3(3) 7_565 . . . ?
C9 C10 C11 C12 142.9(2) . . . . ?
C10 C10 C11 C26 -142.55(16) 7_565 . . . ?
C9 C10 C11 C26 0.0(3) . . . . ?
C10 C11 C12 C13 -138.6(3) . . . . ?
C26 C11 C12 C13 -0.9(4) . . . . ?
C10 C11 C12 C12 -0.3(3) . . . 7_565 ?
C26 C11 C12 C12 137.4(2) . . . 7_565 ?
C11 C12 C13 C28 -0.2(4) . . . . ?
C12 C12 C13 C28 -143.0(2) 7_565 . . . ?
C11 C12 C13 C14 143.3(3) . . . . ?
C12 C12 C13 C14 0.5(3) 7_565 . . . ?
C28 C13 C14 C15 0.4(5) . . . . ?
C12 C13 C14 C15 -142.2(3) . . . . ?
C28 C13 C14 C13 141.8(3) . . . 7_565 ?
C12 C13 C14 C13 -0.9(4) . . . 7_565 ?
C13 C14 C15 C16 -138.8(3) 7_565 . . . ?
C13 C14 C15 C16 -0.8(5) . . . . ?
C13 C14 C15 C16 0.8(5) 7_565 . . 7_565 ?
C13 C14 C15 C16 138.8(3) . . . 7_565 ?
C14 C15 C16 C29 0.8(5) . . . . ?
C16 C15 C16 C29 -142.7(3) 7_565 . . . ?
C14 C15 C16 C17 144.0(3) . . . . ?
C16 C15 C16 C17 0.5(4) 7_565 . . . ?
C29 C16 C17 C18 0.2(4) . . . . ?
C15 C16 C17 C18 -143.6(3) . . . . ?
C29 C16 C17 C17 143.5(2) . . . 7_565 ?
C15 C16 C17 C17 -0.3(3) . . . 7_565 ?
C16 C17 C18 C19 2.7(3) . . . . ?
C17 C17 C18 C19 -135.80(17) 7_565 . . . ?
C16 C17 C18 C1 151.7(2) . . . . ?
C17 C17 C18 C1 13.2(3) 7_565 . . . ?
N1 C1 C18 C17 110.0(2) . . . . ?
C2 C1 C18 C17 -133.7(2) . . . . ?
C1 C1 C18 C17 -12.4(2) 7_565 . . . ?
N1 C1 C18 C19 -98.3(2) . . . . ?
C2 C1 C18 C19 18.0(2) . . . . ?
C1 C1 C18 C19 139.30(14) 7_565 . . . ?
C17 C18 C19 C30 -4.6(3) . . . . ?
C1 C18 C19 C30 -157.9(2) . . . . ?
C17 C18 C19 C20 140.9(2) . . . . ?
C1 C18 C19 C20 -12.4(2) . . . . ?
C30 C19 C20 C21 0.3(3) . . . . ?
C18 C19 C20 C21 -145.6(2) . . . . ?
C30 C19 C20 C2 146.3(2) . . . . ?
C18 C19 C20 C2 0.4(3) . . . . ?
C3 C2 C20 C21 4.8(3) . . . . ?
C1 C2 C20 C21 157.8(2) . . . . ?
C3 C2 C20 C19 -141.2(2) . . . . ?
C1 C2 C20 C19 11.8(2) . . . . ?
C19 C20 C21 C22 138.3(3) . . . . ?
C2 C20 C21 C22 -3.7(4) . . . . ?
C19 C20 C21 C32 0.6(3) . . . . ?
C2 C20 C21 C32 -141.3(3) . . . . ?
C5 C4 C22 C21 -138.5(3) . . . . ?
C3 C4 C22 C21 0.6(4) . . . . ?
C5 C4 C22 C23 0.0(4) . . . . ?
C3 C4 C22 C23 139.1(3) . . . . ?
C20 C21 C22 C4 1.0(4) . . . . ?
C32 C21 C22 C4 143.0(3) . . . . ?
C20 C21 C22 C23 -141.9(2) . . . . ?
C32 C21 C22 C23 0.1(3) . . . . ?
C6 C7 C23 C24 139.3(3) . . . . ?
C8 C7 C23 C24 0.5(4) . . . . ?
C6 C7 C23 C22 1.3(4) . . . . ?
C8 C7 C23 C22 -137.5(3) . . . . ?
C4 C22 C23 C7 -0.4(4) . . . . ?
C21 C22 C23 C7 142.4(3) . . . . ?
C4 C22 C23 C24 -142.9(3) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
C7 C23 C24 C25 -0.5(4) . . . . ?
C22 C23 C24 C25 142.1(3) . . . . ?
C7 C23 C24 C32 -142.4(3) . . . . ?
C22 C23 C24 C32 0.2(3) . . . . ?
C23 C24 C25 C26 -137.3(3) . . . . ?
C32 C24 C25 C26 0.6(4) . . . . ?
C23 C24 C25 C9 -0.1(4) . . . . ?
C32 C24 C25 C9 137.8(3) . . . . ?
C8 C9 C25 C24 0.6(4) . . . . ?
C10 C9 C25 C24 -142.3(3) . . . . ?
C8 C9 C25 C26 142.7(3) . . . . ?
C10 C9 C25 C26 -0.2(3) . . . . ?
C24 C25 C26 C27 -0.5(4) . . . . ?
C9 C25 C26 C27 -142.2(3) . . . . ?
C24 C25 C26 C11 141.9(3) . . . . ?
C9 C25 C26 C11 0.2(3) . . . . ?
C12 C11 C26 C27 1.2(4) . . . . ?
C10 C11 C26 C27 142.9(3) . . . . ?
C12 C11 C26 C25 -141.9(3) . . . . ?
C10 C11 C26 C25 -0.1(3) . . . . ?
C25 C26 C27 C31 0.0(4) . . . . ?
C11 C26 C27 C31 -138.7(3) . . . . ?
C25 C26 C27 C28 138.3(3) . . . . ?
C11 C26 C27 C28 -0.4(4) . . . . ?
C14 C13 C28 C27 -137.0(3) . . . . ?
C12 C13 C28 C27 1.0(4) . . . . ?
C14 C13 C28 C29 0.1(5) . . . . ?
C12 C13 C28 C29 138.1(3) . . . . ?
C26 C27 C28 C13 -0.7(4) . . . . ?
C31 C27 C28 C13 141.3(3) . . . . ?
C26 C27 C28 C29 -142.4(3) . . . . ?
C31 C27 C28 C29 -0.3(3) . . . . ?
C15 C16 C29 C30 137.5(3) . . . . ?
C17 C16 C29 C30 -1.4(4) . . . . ?
C15 C16 C29 C28 -0.2(4) . . . . ?
C17 C16 C29 C28 -139.2(3) . . . . ?
C13 C28 C29 C16 -0.2(4) . . . . ?
C27 C28 C29 C16 142.3(3) . . . . ?
C13 C28 C29 C30 -142.4(3) . . . . ?
C27 C28 C29 C30 0.1(3) . . . . ?
C20 C19 C30 C29 -138.3(3) . . . . ?
C18 C19 C30 C29 3.4(4) . . . . ?
C20 C19 C30 C31 -0.8(4) . . . . ?
C18 C19 C30 C31 140.9(3) . . . . ?
C16 C29 C30 C19 -0.4(4) . . . . ?
C28 C29 C30 C19 141.5(3) . . . . ?
C16 C29 C30 C31 -141.6(3) . . . . ?
C28 C29 C30 C31 0.3(3) . . . . ?
C26 C27 C31 C32 0.4(4) . . . . ?
C28 C27 C31 C32 -141.8(3) . . . . ?
C26 C27 C31 C30 142.7(3) . . . . ?
C28 C27 C31 C30 0.5(3) . . . . ?
C19 C30 C31 C32 0.4(4) . . . . ?
C29 C30 C31 C32 141.8(3) . . . . ?
C19 C30 C31 C27 -141.9(3) . . . . ?
C29 C30 C31 C27 -0.5(3) . . . . ?
C27 C31 C32 C21 137.6(3) . . . . ?
C30 C31 C32 C21 0.5(4) . . . . ?
C27 C31 C32 C24 -0.3(4) . . . . ?
C30 C31 C32 C24 -137.4(3) . . . . ?
C20 C21 C32 C31 -1.0(4) . . . . ?
C22 C21 C32 C31 -142.8(3) . . . . ?
C20 C21 C32 C24 141.8(3) . . . . ?
C22 C21 C32 C24 0.0(3) . . . . ?
C25 C24 C32 C31 -0.2(4) . . . . ?
C23 C24 C32 C31 142.4(3) . . . . ?
C25 C24 C32 C21 -142.7(3) . . . . ?
C23 C24 C32 C21 -0.1(3) . . . . ?
C33 C33 N1 C34 -57.52(15) 7_565 . . . ?
C33 C33 N1 C1 59.67(15) 7_565 . . . ?
C33 C33 N1 Rh1 -165.34(4) 7_565 . . . ?
C34 C34 N1 C33 57.75(15) 7_565 . . . ?
C34 C34 N1 C1 -60.33(15) 7_565 . . . ?
C34 C34 N1 Rh1 170.22(3) 7_565 . . . ?
C2 C1 N1 C33 67.4(2) . . . . ?
C18 C1 N1 C33 176.39(17) . . . . ?
C1 C1 N1 C33 -58.57(15) 7_565 . . . ?
C2 C1 N1 C34 -175.10(17) . . . . ?
C18 C1 N1 C34 -66.1(2) . . . . ?
C1 C1 N1 C34 58.97(15) 7_565 . . . ?
C2 C1 N1 Rh1 -59.4(2) . . . . ?
C18 C1 N1 Rh1 49.6(2) . . . . ?
C1 C1 N1 Rh1 174.66(7) 7_565 . . . ?
O2 C35 O1 Rh1 1.4(3) . . . . ?
C36 C35 O1 Rh1 -178.25(14) . . . . ?
O1 C35 O2 Rh1 -1.9(3) . . . 5_765 ?
C36 C35 O2 Rh1 177.83(14) . . . 5_765 ?
O4 C37 O3 Rh1 3.4(3) . . . . ?
C38 C37 O3 Rh1 -177.03(15) . . . . ?
O3 C37 O4 Rh1 -0.4(3) . . . 5_765 ?
C38 C37 O4 Rh1 -179.92(15) . . . 5_765 ?

_refine_diff_density_max         0.663
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.112



_database_code_depnum_ccdc_archive 'CCDC 1016156'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_(3)
# Compound (3) at 90 K 
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        (3)
_chemical_name_common            {(C72
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H20 N2 O8 Rh2, (C70) (C S2)'
_chemical_formula_sum            'C143 H20 N2 O8 Rh2 S2'
_chemical_formula_weight         2163.55

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           51
_space_group_name_H-M_alt        'P m m a'
_space_group_name_Hall           '-P 2a 2a'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z'
'x+1/2, -y, -z'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z'
'-x-1/2, y, z'

_cell_length_a                   19.6991(18)
_cell_length_b                   15.8057(15)
_cell_length_c                   12.8041(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3986.7(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    5567
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      24.0

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_F_000             2156
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    0.552
_shelx_estimated_absorpt_T_min   0.835
_shelx_estimated_absorpt_T_max   0.902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2013)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Apex II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            44223
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.293
_diffrn_reflns_theta_max         26.032
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4195
_reflns_number_gt                3431
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2014)'
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_refine_special_details          
; The C70 molecule is disordered with respect to crystallographic
mm2 symmetry. Using some difference map peaks, the C70 was
fitted in a reasonable way and refined with AFIX 6 as a rigid
group with occupancy 0.25. The structure also contains a solvent
CS2 that is disordered with respect to mm2 symmetry in the same 
fashion as the C70. It was also refined at 0.25 occupancy. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4195
_refine_ls_number_parameters     298
_refine_ls_number_restraints     113
_refine_ls_R_factor_all          0.1269
_refine_ls_R_factor_gt           0.1133
_refine_ls_wR_factor_ref         0.3567
_refine_ls_wR_factor_gt          0.3356
_refine_ls_goodness_of_fit_ref   1.583
_refine_ls_restrained_S_all      1.607
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.93991(3) 1.0000 0.51889(6) 0.0189(4) Uani 1 2 d S T P . .
O1 O 0.9586(2) 1.0943(3) 0.6219(4) 0.0229(10) Uani 1 1 d . . . . .
O2 O 1.0715(2) 1.0926(3) 0.5911(4) 0.0261(11) Uani 1 1 d . . . . .
N1 N 0.8170(4) 1.0000 0.5595(6) 0.0163(16) Uani 1 2 d S T P . .
C1 C 0.7890(4) 1.0766(4) 0.5061(5) 0.0184(13) Uani 1 1 d . . . . .
H1A H 0.8056 1.0782 0.4332 0.022 Uiso 1 1 calc R U . . .
H1B H 0.8056 1.1280 0.5420 0.022 Uiso 1 1 calc R U . . .
C2 C 0.7916(4) 1.0000 0.6701(7) 0.0180(19) Uani 1 2 d S T P . .
C3 C 0.8224(3) 1.0737(5) 0.7302(5) 0.0236(15) Uani 1 1 d . . . . .
C4 C 0.8800(3) 1.0463(5) 0.7898(5) 0.0295(17) Uani 1 1 d . . . . .
C5 C 0.9035(3) 1.0902(6) 0.8770(6) 0.0338(19) Uani 1 1 d . . . . .
C6 C 0.9254(4) 1.0432(7) 0.9691(6) 0.040(2) Uani 1 1 d . . . . .
C7 C 0.9040(4) 1.0896(7) 1.0608(7) 0.044(2) Uani 1 1 d . . . . .
C8 C 0.8821(4) 1.0447(6) 1.1487(6) 0.041(2) Uani 1 1 d . . . . .
C9 C 0.8218(4) 1.0734(7) 1.2049(6) 0.043(2) Uani 1 1 d . . . . .
C10 C 0.7852(5) 1.0000 1.2379(8) 0.039(3) Uani 1 2 d S TU P . .
C11 C 0.7874(4) 1.1453(7) 1.1708(6) 0.046(2) Uani 1 1 d . . . . .
C12 C 0.8087(4) 1.1931(7) 1.0791(6) 0.045(2) Uani 1 1 d . . . . .
C13 C 0.8675(5) 1.1647(8) 1.0256(6) 0.049(3) Uani 1 1 d . . . . .
C14 C 0.8671(4) 1.1640(6) 0.9122(6) 0.040(2) Uani 1 1 d . . . . .
C15 C 0.8092(4) 1.1898(5) 0.8564(6) 0.0352(19) Uani 1 1 d . . . . .
C16 C 0.7876(4) 1.1431(5) 0.7658(5) 0.0280(16) Uani 1 1 d . . . . .
C17 C 0.7500 1.2181(7) 0.9133(9) 0.037(3) Uani 1 2 d S T P . .
C18 C 0.7500 1.2187(9) 1.0233(9) 0.043(3) Uani 1 2 d S T P . .
C19 C 1.0262(4) 1.1970(5) 0.7058(6) 0.0319(17) Uani 1 1 d . . . . .
H19A H 1.0743 1.2120 0.7123 0.048 Uiso 1 1 calc R U . . .
H19B H 1.0079 1.1827 0.7748 0.048 Uiso 1 1 calc R U . . .
H19C H 1.0011 1.2451 0.6769 0.048 Uiso 1 1 calc R U . . .
C20 C 1.0191(4) 1.1226(5) 0.6347(6) 0.0257(15) Uani 1 1 d . . . . .
C1B C 0.3104(9) 0.5310(11) 0.8234(6) 0.138(8) Uiso 0.25 1 d G U P A -1
C2B C 0.3002(10) 0.4329(10) 0.8210(7) 0.148(8) Uiso 0.25 1 d G U P A -1
C3B C 0.2276(10) 0.4194(10) 0.8221(6) 0.147(8) Uiso 0.25 1 d G U P A -1
C4B C 0.1947(9) 0.5009(10) 0.8244(6) 0.133(8) Uiso 0.25 1 d G U P A -1
C5B C 0.2529(9) 0.5665(10) 0.8266(5) 0.129(7) Uiso 0.25 1 d G U P A -1
C6B C 0.3636(8) 0.5557(11) 0.7624(8) 0.135(8) Uiso 0.25 1 d G U P A -1
C7B C 0.3402(10) 0.3803(10) 0.7610(9) 0.151(9) Uiso 0.25 1 d G U P A -1
C8B C 0.1993(10) 0.3539(9) 0.7653(9) 0.144(8) Uiso 0.25 1 d G U P A -1
C9B C 0.1353(8) 0.5138(10) 0.7693(7) 0.121(8) Uiso 0.25 1 d G U P A -1
C10B C 0.2478(8) 0.6407(9) 0.7706(7) 0.101(7) Uiso 0.25 1 d G U P A -1
C11B C 0.4063(7) 0.5009(11) 0.6996(10) 0.142(8) Uiso 0.25 1 d G U P A -1
C12B C 0.3948(9) 0.4156(11) 0.6991(10) 0.149(8) Uiso 0.25 1 d G U P A -1
C13B C 0.3108(11) 0.3123(9) 0.7007(10) 0.150(9) Uiso 0.25 1 d G U P A -1
C14B C 0.2423(11) 0.2997(8) 0.7026(10) 0.151(8) Uiso 0.25 1 d G U P A -1
C15B C 0.1371(10) 0.3682(9) 0.7065(10) 0.136(8) Uiso 0.25 1 d G U P A -1
C16B C 0.1061(8) 0.4453(10) 0.7082(9) 0.121(8) Uiso 0.25 1 d G U P A -1
C17B C 0.1260(7) 0.5907(10) 0.7090(8) 0.097(7) Uiso 0.25 1 d G U P A -1
C18B C 0.1759(7) 0.6512(9) 0.7081(7) 0.076(7) Uiso 0.25 1 d G U P A -1
C19B C 0.2927(7) 0.6728(9) 0.7047(8) 0.084(7) Uiso 0.25 1 d G U P A -1
C20B C 0.3537(7) 0.6325(10) 0.7025(9) 0.106(8) Uiso 0.25 1 d G U P A -1
C21B C 0.4227(6) 0.5440(11) 0.6035(11) 0.129(8) Uiso 0.25 1 d G U P A -1
C22B C 0.3997(9) 0.3693(11) 0.6025(11) 0.149(9) Uiso 0.25 1 d G U P A -1
C23B C 0.3484(11) 0.3058(9) 0.6035(11) 0.154(9) Uiso 0.25 1 d G U P A -1
C24B C 0.2059(11) 0.2787(8) 0.6075(11) 0.150(9) Uiso 0.25 1 d G U P A -1
C25B C 0.1418(10) 0.3207(9) 0.6098(11) 0.141(8) Uiso 0.25 1 d G U P A -1
C26B C 0.0778(7) 0.4807(10) 0.6132(10) 0.105(8) Uiso 0.25 1 d G U P A -1
C27B C 0.0903(6) 0.5694(10) 0.6137(9) 0.094(7) Uiso 0.25 1 d G U P A -1
C28B C 0.1937(7) 0.6940(8) 0.6117(8) 0.057(6) Uiso 0.25 1 d G U P A -1
C29B C 0.2652(7) 0.7069(8) 0.6097(8) 0.056(6) Uiso 0.25 1 d G U P A -1
C30B C 0.3906(6) 0.6244(10) 0.6052(10) 0.102(8) Uiso 0.25 1 d G U P A -1
C31B C 0.4332(7) 0.4995(12) 0.5091(11) 0.145(8) Uiso 0.25 1 d G U P A -1
C32B C 0.4206(8) 0.4083(11) 0.5086(11) 0.157(9) Uiso 0.25 1 d G U P A -1
C33B C 0.3161(11) 0.2796(9) 0.5106(11) 0.163(9) Uiso 0.25 1 d G U P A -1
C34B C 0.2419(11) 0.2663(8) 0.5127(11) 0.159(9) Uiso 0.25 1 d G U P A -1
C35B C 0.1110(9) 0.3508(9) 0.5174(11) 0.135(8) Uiso 0.25 1 d G U P A -1
C36B C 0.0786(8) 0.4341(10) 0.5191(10) 0.121(8) Uiso 0.25 1 d G U P A -1
C37B C 0.1027(6) 0.6149(9) 0.5200(9) 0.081(7) Uiso 0.25 1 d G U P A -1
C38B C 0.1564(6) 0.6793(8) 0.5189(8) 0.064(7) Uiso 0.25 1 d G U P A -1
C39B C 0.3019(6) 0.7055(8) 0.5148(9) 0.070(7) Uiso 0.25 1 d G U P A -1
C40B C 0.3681(6) 0.6626(10) 0.5124(10) 0.091(7) Uiso 0.25 1 d G U P A -1
C41B C 0.4224(7) 0.5445(12) 0.4158(11) 0.144(8) Uiso 0.25 1 d G U P A -1
C42B C 0.3980(10) 0.3697(11) 0.4150(11) 0.172(9) Uiso 0.25 1 d G U P A -1
C43B C 0.3532(11) 0.3086(10) 0.4184(11) 0.177(9) Uiso 0.25 1 d G U P A -1
C44B C 0.2044(12) 0.2803(8) 0.4202(11) 0.167(9) Uiso 0.25 1 d G U P A -1
C45B C 0.1403(11) 0.3221(9) 0.4226(11) 0.157(9) Uiso 0.25 1 d G U P A -1
C46B C 0.0759(7) 0.4874(10) 0.4264(10) 0.116(8) Uiso 0.25 1 d G U P A -1
C47B C 0.0891(6) 0.5714(10) 0.4263(9) 0.098(8) Uiso 0.25 1 d G U P A -1
C48B C 0.1917(7) 0.6955(8) 0.4242(8) 0.074(7) Uiso 0.25 1 d G U P A -1
C49B C 0.2635(7) 0.7082(8) 0.4221(8) 0.073(7) Uiso 0.25 1 d G U P A -1
C50B C 0.3905(6) 0.6253(11) 0.4175(10) 0.123(8) Uiso 0.25 1 d G U P A -1
C51B C 0.4031(8) 0.5024(12) 0.3197(10) 0.166(9) Uiso 0.25 1 d G U P A -1
C52B C 0.3907(9) 0.4173(12) 0.3193(10) 0.176(9) Uiso 0.25 1 d G U P A -1
C53B C 0.3064(11) 0.3154(10) 0.3211(10) 0.183(9) Uiso 0.25 1 d G U P A -1
C54B C 0.2377(12) 0.3033(9) 0.3232(10) 0.178(9) Uiso 0.25 1 d G U P A -1
C55B C 0.1339(10) 0.3708(10) 0.3273(10) 0.158(9) Uiso 0.25 1 d G U P A -1
C56B C 0.1030(9) 0.4486(11) 0.3290(9) 0.137(8) Uiso 0.25 1 d G U P A -1
C57B C 0.1228(7) 0.5940(10) 0.3297(8) 0.110(8) Uiso 0.25 1 d G U P A -1
C58B C 0.1722(7) 0.6540(9) 0.3287(7) 0.097(7) Uiso 0.25 1 d G U P A -1
C59B C 0.2923(7) 0.6757(10) 0.3257(8) 0.109(8) Uiso 0.25 1 d G U P A -1
C60B C 0.3516(7) 0.6347(11) 0.3226(9) 0.130(8) Uiso 0.25 1 d G U P A -1
C61B C 0.3591(8) 0.5587(12) 0.2606(8) 0.156(8) Uiso 0.25 1 d G U P A -1
C62B C 0.3339(11) 0.3840(11) 0.2594(9) 0.184(9) Uiso 0.25 1 d G U P A -1
C63B C 0.1937(11) 0.3588(10) 0.2635(8) 0.173(9) Uiso 0.25 1 d G U P A -1
C64B C 0.1302(9) 0.5180(11) 0.2673(8) 0.132(8) Uiso 0.25 1 d G U P A -1
C65B C 0.2327(8) 0.6427(10) 0.2655(7) 0.116(8) Uiso 0.25 1 d G U P A -1
C66B C 0.3048(10) 0.5275(12) 0.2046(6) 0.168(8) Uiso 0.25 1 d G U P A -1
C67B C 0.2919(11) 0.4373(12) 0.2034(7) 0.183(9) Uiso 0.25 1 d G U P A -1
C68B C 0.2191(11) 0.4250(11) 0.2051(6) 0.179(8) Uiso 0.25 1 d G U P A -1
C69B C 0.1877(10) 0.5072(11) 0.2074(6) 0.157(8) Uiso 0.25 1 d G U P A -1
C70B C 0.2406(9) 0.5704(11) 0.2071(5) 0.155(8) Uiso 0.25 1 d G U P A -1
S1 S 0.3657(8) 0.3961(9) 0.0147(10) 0.078(4) Uani 0.25 1 d D . P B -1
S2 S 0.4971(7) 0.3757(12) 0.1289(10) 0.091(5) Uani 0.25 1 d D . P B -1
C1S C 0.4345(18) 0.375(4) 0.062(4) 0.083(16) Uiso 0.25 1 d D . P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.024(5) 7_575 ?
Rh1 O1 2.024(5) . ?
Rh1 O2 2.044(5) 5_776 ?
Rh1 O2 2.044(5) 3_756 ?
Rh1 Rh1 2.4163(13) 5_776 ?
Rh1 N1 2.477(7) . ?
O1 C20 1.284(8) . ?
O2 C20 1.266(8) . ?
O2 Rh1 2.044(5) 5_776 ?
N1 C1 1.495(8) . ?
N1 C1 1.495(8) 7_575 ?
N1 C2 1.502(11) . ?
C1 C1 1.535(14) 8_755 ?
C2 C3 1.522(9) . ?
C2 C3 1.522(9) 7_575 ?
C2 C2 1.637(17) 2_675 ?
C3 C16 1.373(11) . ?
C3 C4 1.433(9) . ?
C4 C5 1.394(10) . ?
C4 C4 1.465(16) 7_575 ?
C5 C14 1.440(12) . ?
C5 C6 1.460(12) . ?
C6 C6 1.36(2) 7_575 ?
C6 C7 1.448(12) . ?
C7 C8 1.399(12) . ?
C7 C13 1.460(16) . ?
C8 C8 1.413(19) 7_575 ?
C8 C9 1.461(11) . ?
C9 C11 1.393(14) . ?
C9 C10 1.430(12) . ?
C10 C10 1.39(2) 2_675 ?
C10 C9 1.430(12) 7_575 ?
C11 C12 1.457(14) . ?
C11 C11 1.474(16) 8_755 ?
C12 C13 1.418(13) . ?
C12 C18 1.418(12) . ?
C13 C14 1.452(11) . ?
C14 C15 1.407(12) . ?
C15 C16 1.439(10) . ?
C15 C17 1.446(10) . ?
C16 C16 1.481(14) 8_755 ?
C17 C18 1.408(17) . ?
C17 C15 1.446(10) 8_755 ?
C18 C12 1.418(12) 8_755 ?
C19 C20 1.493(10) . ?
C1B C5B 1.2646 . ?
C1B C6B 1.3631 . ?
C1B C2B 1.5648 . ?
C2B C7B 1.3781 . ?
C2B C3B 1.4455 . ?
C3B C8B 1.3823 . ?
C3B C4B 1.4426 . ?
C4B C9B 1.3813 . ?
C4B C5B 1.5463 . ?
C5B C10B 1.3775 . ?
C6B C20B 1.4489 . ?
C6B C11B 1.4499 . ?
C7B C13B 1.4448 . ?
C7B C12B 1.4481 . ?
C8B C14B 1.4475 . ?
C8B C15B 1.4557 . ?
C9B C17B 1.4514 . ?
C9B C16B 1.4537 . ?
C10B C19B 1.3232 . ?
C10B C18B 1.6356 . ?
C11B C12B 1.3679 . ?
C11B C21B 1.4431 . ?
C12B C22B 1.4399 . ?
C13B C14B 1.3639 . ?
C13B C23B 1.4514 . ?
C14B C24B 1.4522 . ?
C15B C16B 1.3646 . ?
C15B C25B 1.4510 . ?
C16B C26B 1.4502 . ?
C17B C18B 1.3723 . ?
C17B C27B 1.4491 . ?
C18B C28B 1.4494 . ?
C19B C20B 1.3607 . ?
C19B C29B 1.4371 . ?
C20B C30B 1.4470 . ?
C21B C31B 1.4142 . ?
C21B C30B 1.4205 . ?
C22B C32B 1.4121 . ?
C22B C23B 1.4249 . ?
C23B C33B 1.4107 . ?
C24B C34B 1.4194 . ?
C24B C25B 1.4259 . ?
C25B C35B 1.4125 . ?
C26B C36B 1.4119 . ?
C26B C27B 1.4233 . ?
C27B C37B 1.4194 . ?
C28B C38B 1.4164 . ?
C28B C29B 1.4232 . ?
C29B C39B 1.4142 . ?
C30B C40B 1.4040 . ?
C31B C41B 1.4062 . ?
C31B C32B 1.4627 . ?
C32B C42B 1.4165 . ?
C33B C43B 1.4629 . ?
C33B C34B 1.4763 . ?
C34B C44B 1.4139 . ?
C35B C45B 1.4187 . ?
C35B C36B 1.4641 . ?
C36B C46B 1.4568 . ?
C37B C47B 1.4081 . ?
C37B C38B 1.4679 . ?
C38B C48B 1.4218 . ?
C39B C49B 1.4079 . ?
C39B C40B 1.4700 . ?
C40B C50B 1.4216 . ?
C41B C50B 1.4246 . ?
C41B C51B 1.4495 . ?
C42B C43B 1.3090 . ?
C42B C52B 1.4451 . ?
C43B C53B 1.5547 . ?
C44B C45B 1.4249 . ?
C44B C54B 1.4511 . ?
C45B C55B 1.4488 . ?
C46B C47B 1.3533 . ?
C46B C56B 1.4884 . ?
C47B C57B 1.4484 . ?
C48B C49B 1.4280 . ?
C48B C58B 1.4401 . ?
C49B C59B 1.4524 . ?
C50B C60B 1.4436 . ?
C51B C52B 1.3668 . ?
C51B C61B 1.4545 . ?
C52B C62B 1.4551 . ?
C53B C54B 1.3666 . ?
C53B C62B 1.4465 . ?
C54B C63B 1.4498 . ?
C55B C56B 1.3718 . ?
C55B C63B 1.4455 . ?
C56B C64B 1.4539 . ?
C57B C58B 1.3586 . ?
C57B C64B 1.4501 . ?
C58B C65B 1.4514 . ?
C59B C60B 1.3349 . ?
C59B C65B 1.4988 . ?
C60B C61B 1.4479 . ?
C61B C66B 1.3789 . ?
C62B C67B 1.3823 . ?
C63B C68B 1.3814 . ?
C64B C69B 1.3787 . ?
C65B C70B 1.3754 . ?
C66B C70B 1.4350 . ?
C66B C67B 1.4481 . ?
C67B C68B 1.4459 . ?
C68B C69B 1.4392 . ?
C69B C70B 1.4427 . ?
S1 C1S 1.522(18) . ?
S2 C1S 1.499(17) . ?

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 Rh1 O1 94.9(3) 7_575 . ?
O1 Rh1 O2 86.6(2) 7_575 5_776 ?
O1 Rh1 O2 175.25(18) . 5_776 ?
O1 Rh1 O2 175.25(18) 7_575 3_756 ?
O1 Rh1 O2 86.6(2) . 3_756 ?
O2 Rh1 O2 91.5(3) 5_776 3_756 ?
O1 Rh1 Rh1 87.28(13) 7_575 5_776 ?
O1 Rh1 Rh1 87.28(13) . 5_776 ?
O2 Rh1 Rh1 88.29(13) 5_776 5_776 ?
O2 Rh1 Rh1 88.29(13) 3_756 5_776 ?
O1 Rh1 N1 92.33(17) 7_575 . ?
O1 Rh1 N1 92.33(17) . . ?
O2 Rh1 N1 92.11(18) 5_776 . ?
O2 Rh1 N1 92.11(18) 3_756 . ?
Rh1 Rh1 N1 179.42(17) 5_776 . ?
C20 O1 Rh1 120.6(4) . . ?
C20 O2 Rh1 118.8(5) . 5_776 ?
C1 N1 C1 108.0(7) . 7_575 ?
C1 N1 C2 108.0(5) . . ?
C1 N1 C2 108.0(5) 7_575 . ?
C1 N1 Rh1 105.3(4) . . ?
C1 N1 Rh1 105.3(4) 7_575 . ?
C2 N1 Rh1 121.6(5) . . ?
N1 C1 C1 111.6(4) . 8_755 ?
N1 C2 C3 110.1(5) . . ?
N1 C2 C3 110.1(5) . 7_575 ?
C3 C2 C3 99.8(7) . 7_575 ?
N1 C2 C2 109.5(4) . 2_675 ?
C3 C2 C2 113.6(4) . 2_675 ?
C3 C2 C2 113.5(4) 7_575 2_675 ?
C16 C3 C4 117.4(6) . . ?
C16 C3 C2 125.4(6) . . ?
C4 C3 C2 110.8(6) . . ?
C5 C4 C3 122.6(7) . . ?
C5 C4 C4 119.9(5) . 7_575 ?
C3 C4 C4 107.5(4) . 7_575 ?
C4 C5 C14 119.3(7) . . ?
C4 C5 C6 119.4(8) . . ?
C14 C5 C6 107.9(7) . . ?
C6 C6 C7 120.5(6) 7_575 . ?
C6 C6 C5 120.6(5) 7_575 . ?
C7 C6 C5 108.1(9) . . ?
C8 C7 C6 119.0(9) . . ?
C8 C7 C13 120.6(8) . . ?
C6 C7 C13 107.8(8) . . ?
C7 C8 C8 120.5(6) . 7_575 ?
C7 C8 C9 119.3(8) . . ?
C8 C8 C9 108.1(6) 7_575 . ?
C11 C9 C10 120.7(8) . . ?
C11 C9 C8 119.6(8) . . ?
C10 C9 C8 107.6(9) . . ?
C10 C10 C9 120.2(5) 2_675 7_575 ?
C10 C10 C9 120.2(5) 2_675 . ?
C9 C10 C9 108.5(10) 7_575 . ?
C9 C11 C12 122.4(8) . . ?
C9 C11 C11 119.1(5) . 8_755 ?
C12 C11 C11 106.7(5) . 8_755 ?
C13 C12 C18 120.8(8) . . ?
C13 C12 C11 117.4(10) . . ?
C18 C12 C11 108.6(8) . . ?
C12 C13 C14 118.8(9) . . ?
C12 C13 C7 120.7(9) . . ?
C14 C13 C7 107.7(8) . . ?
C15 C14 C5 118.6(7) . . ?
C15 C14 C13 120.6(8) . . ?
C5 C14 C13 108.5(8) . . ?
C14 C15 C16 120.0(8) . . ?
C14 C15 C17 119.2(8) . . ?
C16 C15 C17 109.0(7) . . ?
C3 C16 C15 122.0(7) . . ?
C3 C16 C16 120.0(4) . 8_755 ?
C15 C16 C16 107.2(4) . 8_755 ?
C18 C17 C15 120.4(6) . 8_755 ?
C18 C17 C15 120.4(6) . . ?
C15 C17 C15 107.5(9) 8_755 . ?
C17 C18 C12 120.1(6) . 8_755 ?
C17 C18 C12 120.1(6) . . ?
C12 C18 C12 109.2(12) 8_755 . ?
O2 C20 O1 124.8(7) . . ?
O2 C20 C19 119.1(6) . . ?
O1 C20 C19 116.1(6) . . ?
C5B C1B C6B 125.4 . . ?
C5B C1B C2B 109.0 . . ?
C6B C1B C2B 111.8 . . ?
C7B C2B C3B 118.8 . . ?
C7B C2B C1B 122.3 . . ?
C3B C2B C1B 105.9 . . ?
C8B C3B C4B 119.9 . . ?
C8B C3B C2B 120.2 . . ?
C4B C3B C2B 108.2 . . ?
C9B C4B C3B 120.1 . . ?
C9B C4B C5B 122.6 . . ?
C3B C4B C5B 105.4 . . ?
C1B C5B C10B 115.2 . . ?
C1B C5B C4B 111.5 . . ?
C10B C5B C4B 120.5 . . ?
C1B C6B C20B 116.1 . . ?
C1B C6B C11B 126.4 . . ?
C20B C6B C11B 106.5 . . ?
C2B C7B C13B 121.2 . . ?
C2B C7B C12B 119.9 . . ?
C13B C7B C12B 106.9 . . ?
C3B C8B C14B 119.9 . . ?
C3B C8B C15B 119.7 . . ?
C14B C8B C15B 107.3 . . ?
C4B C9B C17B 120.1 . . ?
C4B C9B C16B 120.1 . . ?
C17B C9B C16B 106.7 . . ?
C19B C10B C5B 127.5 . . ?
C19B C10B C18B 103.1 . . ?
C5B C10B C18B 113.9 . . ?
C12B C11B C21B 119.9 . . ?
C12B C11B C6B 119.7 . . ?
C21B C11B C6B 108.8 . . ?
C11B C12B C22B 119.6 . . ?
C11B C12B C7B 120.0 . . ?
C22B C12B C7B 109.0 . . ?
C14B C13B C7B 119.6 . . ?
C14B C13B C23B 120.7 . . ?
C7B C13B C23B 107.9 . . ?
C13B C14B C8B 120.2 . . ?
C13B C14B C24B 120.5 . . ?
C8B C14B C24B 108.1 . . ?
C16B C15B C25B 120.3 . . ?
C16B C15B C8B 120.5 . . ?
C25B C15B C8B 107.9 . . ?
C15B C16B C26B 120.2 . . ?
C15B C16B C9B 119.7 . . ?
C26B C16B C9B 108.4 . . ?
C18B C17B C27B 120.2 . . ?
C18B C17B C9B 119.9 . . ?
C27B C17B C9B 108.4 . . ?
C17B C18B C28B 120.4 . . ?
C17B C18B C10B 123.0 . . ?
C28B C18B C10B 104.8 . . ?
C10B C19B C20B 115.1 . . ?
C10B C19B C29B 115.6 . . ?
C20B C19B C29B 119.4 . . ?
C19B C20B C30B 120.1 . . ?
C19B C20B C6B 119.9 . . ?
C30B C20B C6B 108.4 . . ?
C31B C21B C30B 121.6 . . ?
C31B C21B C11B 121.8 . . ?
C30B C21B C11B 108.0 . . ?
C32B C22B C23B 121.4 . . ?
C32B C22B C12B 121.9 . . ?
C23B C22B C12B 107.6 . . ?
C33B C23B C22B 121.3 . . ?
C33B C23B C13B 120.9 . . ?
C22B C23B C13B 108.6 . . ?
C34B C24B C25B 121.7 . . ?
C34B C24B C14B 120.1 . . ?
C25B C24B C14B 108.3 . . ?
C35B C25B C24B 121.3 . . ?
C35B C25B C15B 120.8 . . ?
C24B C25B C15B 108.3 . . ?
C36B C26B C27B 121.0 . . ?
C36B C26B C16B 120.7 . . ?
C27B C26B C16B 108.1 . . ?
C37B C27B C26B 121.7 . . ?
C37B C27B C17B 120.7 . . ?
C26B C27B C17B 108.4 . . ?
C38B C28B C29B 121.4 . . ?
C38B C28B C18B 120.8 . . ?
C29B C28B C18B 108.7 . . ?
C39B C29B C28B 121.3 . . ?
C39B C29B C19B 121.9 . . ?
C28B C29B C19B 107.7 . . ?
C40B C30B C21B 120.8 . . ?
C40B C30B C20B 122.2 . . ?
C21B C30B C20B 108.4 . . ?
C41B C31B C21B 116.9 . . ?
C41B C31B C32B 118.0 . . ?
C21B C31B C32B 117.9 . . ?
C22B C32B C42B 116.2 . . ?
C22B C32B C31B 118.5 . . ?
C42B C32B C31B 118.7 . . ?
C23B C33B C43B 111.3 . . ?
C23B C33B C34B 118.2 . . ?
C43B C33B C34B 123.7 . . ?
C44B C34B C24B 115.6 . . ?
C44B C34B C33B 118.7 . . ?
C24B C34B C33B 119.4 . . ?
C25B C35B C45B 115.7 . . ?
C25B C35B C36B 118.6 . . ?
C45B C35B C36B 118.6 . . ?
C26B C36B C46B 113.2 . . ?
C26B C36B C35B 119.1 . . ?
C46B C36B C35B 121.6 . . ?
C47B C37B C27B 116.1 . . ?
C47B C37B C38B 117.9 . . ?
C27B C37B C38B 118.9 . . ?
C28B C38B C48B 115.6 . . ?
C28B C38B C37B 118.7 . . ?
C48B C38B C37B 119.1 . . ?
C49B C39B C29B 116.7 . . ?
C49B C39B C40B 118.2 . . ?
C29B C39B C40B 118.6 . . ?
C30B C40B C50B 116.6 . . ?
C30B C40B C39B 117.4 . . ?
C50B C40B C39B 118.9 . . ?
C31B C41B C50B 120.5 . . ?
C31B C41B C51B 121.9 . . ?
C50B C41B C51B 108.0 . . ?
C43B C42B C32B 120.1 . . ?
C43B C42B C52B 110.2 . . ?
C32B C42B C52B 121.7 . . ?
C42B C43B C33B 126.5 . . ?
C42B C43B C53B 108.8 . . ?
C33B C43B C53B 111.8 . . ?
C34B C44B C45B 121.2 . . ?
C34B C44B C54B 121.3 . . ?
C45B C44B C54B 107.6 . . ?
C35B C45B C44B 121.8 . . ?
C35B C45B C55B 121.0 . . ?
C44B C45B C55B 107.8 . . ?
C47B C46B C36B 124.1 . . ?
C47B C46B C56B 109.6 . . ?
C36B C46B C56B 115.6 . . ?
C46B C47B C37B 121.0 . . ?
C46B C47B C57B 109.3 . . ?
C37B C47B C57B 121.3 . . ?
C38B C48B C49B 121.7 . . ?
C38B C48B C58B 120.8 . . ?
C49B C48B C58B 108.2 . . ?
C39B C49B C48B 120.8 . . ?
C39B C49B C59B 119.7 . . ?
C48B C49B C59B 110.7 . . ?
C40B C50B C41B 121.5 . . ?
C40B C50B C60B 120.8 . . ?
C41B C50B C60B 108.3 . . ?
C52B C51B C41B 120.1 . . ?
C52B C51B C61B 119.6 . . ?
C41B C51B C61B 108.5 . . ?
C51B C52B C42B 119.4 . . ?
C51B C52B C62B 119.7 . . ?
C42B C52B C62B 109.5 . . ?
C54B C53B C62B 119.2 . . ?
C54B C53B C43B 124.2 . . ?
C62B C53B C43B 105.4 . . ?
C53B C54B C63B 119.8 . . ?
C53B C54B C44B 120.0 . . ?
C63B C54B C44B 109.4 . . ?
C56B C55B C63B 119.3 . . ?
C56B C55B C45B 120.1 . . ?
C63B C55B C45B 109.5 . . ?
C55B C56B C64B 120.2 . . ?
C55B C56B C46B 122.8 . . ?
C64B C56B C46B 106.1 . . ?
C58B C57B C47B 120.6 . . ?
C58B C57B C64B 120.0 . . ?
C47B C57B C64B 108.3 . . ?
C57B C58B C48B 120.1 . . ?
C57B C58B C65B 120.5 . . ?
C48B C58B C65B 108.0 . . ?
C60B C59B C49B 122.6 . . ?
C60B C59B C65B 120.1 . . ?
C49B C59B C65B 104.7 . . ?
C59B C60B C50B 119.2 . . ?
C59B C60B C61B 120.5 . . ?
C50B C60B C61B 108.7 . . ?
C66B C61B C60B 120.2 . . ?
C66B C61B C51B 120.9 . . ?
C60B C61B C51B 106.5 . . ?
C67B C62B C53B 121.0 . . ?
C67B C62B C52B 120.9 . . ?
C53B C62B C52B 105.8 . . ?
C68B C63B C55B 120.1 . . ?
C68B C63B C54B 121.8 . . ?
C55B C63B C54B 105.6 . . ?
C69B C64B C57B 119.5 . . ?
C69B C64B C56B 120.8 . . ?
C57B C64B C56B 106.7 . . ?
C70B C65B C58B 119.9 . . ?
C70B C65B C59B 118.7 . . ?
C58B C65B C59B 108.3 . . ?
C61B C66B C70B 120.2 . . ?
C61B C66B C67B 119.6 . . ?
C70B C66B C67B 108.1 . . ?
C62B C67B C68B 120.3 . . ?
C62B C67B C66B 119.3 . . ?
C68B C67B C66B 107.8 . . ?
C63B C68B C69B 121.2 . . ?
C63B C68B C67B 118.0 . . ?
C69B C68B C67B 107.8 . . ?
C64B C69B C68B 118.4 . . ?
C64B C69B C70B 120.6 . . ?
C68B C69B C70B 108.3 . . ?
C65B C70B C66B 120.3 . . ?
C65B C70B C69B 119.5 . . ?
C66B C70B C69B 108.0 . . ?
S2 C1S S1 163(4) . . ?

_refine_diff_density_max         3.457
_refine_diff_density_min         -1.665
_refine_diff_density_rms         0.275


# start Validation Reply Form
_vrf_RFACR01_aa31                
;
PROBLEM: The value of the weighted R factor is > 0.35
RESPONSE: The structure suffers from severe disorder
due to mismatch between the crystallographic mm2 
symmetry and the tilt of the C70 molecule.
;
_vrf_PLAT973_aa31                
;
PROBLEM: Check Calcd Positive Residual Density on Rh1 3.83 eA-3
RESPONSE: Origin of the error is unknown. 
;
_vrf_PLAT084_aa31                
;
PROBLEM: High wR2 Value (i.e. > 0.25) ................... 0.36 Report
RESPONSE: The structure suffers from severe disorder
due to mismatch between the crystallographic mm2 
symmetry and the tilt of the C70 molecule.
;
_vrf_PLAT213_aa31                
;
PROBLEM: Atom N1 has ADP max/min Ratio ..... 4.3 prolat
RESPONSE: The C60 molecule, together with its adduct,
shows a tendency towards prolate ellipsoids due to 
residual rotational motion.
;
_vrf_PLAT971_aa31                
;
PROBLEM: Check Calcd Residual Density 0.69A From C65B 2.72 eA-3
RESPONSE: Origin of this density is unknown. No reasonable
chemical species could be modeled at this short distance.
;
# end Validation Reply Form
_database_code_depnum_ccdc_archive 'CCDC 1016157'
