#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:32:23 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179145 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/06/4310682.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4310682
loop_
_publ_author_name
'Marie-Line Lehaire'
'Rosario Scopelliti'
'Lorenz Herdeis'
'Kurt Polborn'
'Peter Mayer'
'Kay Severin'
_publ_contact_author_address
;
Institut de Chimie Moléculaire et Biologique
École Polytechnique Fédérale de Lausanne
1015 Lausanne
Switzerland
;
_publ_contact_author_email       kay.severin@epfl.ch
_publ_contact_author_fax         '+41 21 693 9305'
_publ_contact_author_name        'Kay Severin'
_publ_contact_author_phone       '+41 21 693 9302'
_publ_section_title
;
 Diastereoselective Formation of Metallamacrocyclic (Arene)RuII and
 Cp*RhIII Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1609
_journal_page_last               1617
_journal_paper_doi               10.1021/ic035328i
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source        'provided by K. Severin'
_chemical_formula_moiety         '2(Rh, C10H15, O3 N C6 H3, H2 O), Cl3 H C'
_chemical_formula_sum            'C33 H41 Cl3 N2 O8 Rh2'
_chemical_formula_weight         905.856
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_author_name               'Mayer, P.'
_audit_block_code                Rh_Cp*_NO3C6_H2O_en018_severin
_audit_creation_date             17-Aug-00
_audit_creation_method           'form98_non/compatible with shelxl97-2'
_cell_angle_alpha                107.7288(14)
_cell_angle_beta                 90.3147(13)
_cell_angle_gamma                109.5758(8)
_cell_formula_units_Z            2
_cell_length_a                   9.65790(20)
_cell_length_b                   11.81110(20)
_cell_length_c                   17.68810(29)
_cell_measurement_reflns_used    11380
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     1797.74(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics
;ORTEP (M. N. Burnett, C. K. Johnson, ORTEP-III: Oak Ridge Thermal Ellipsoid
 Plot Program for Crystal Structure Illustrations, Oak Ridge National
 Laboratory Report ORNL-6895, 1996). Windows version (L. J. Farrugia, Univ.
 Glasgow) used --- SCHAKAL (E. Keller, University of  Freiburg (Breisgau),
 Germany, 1995).
;
_computing_publication_material
;PLATON (A. L. Spek, Acta Crystallogr, Sect. A, 1990, 46, C34, 1995 version).
--- T.B.Cohen, Pure Appl. Chem. 1996,68,2339-2359 (atomic masses).
;
_computing_structure_refinement
'SHELXL-97 (G. M. Sheldrick. University of Göttingen, 97-2 version)'
_computing_structure_solution
'SIR97 (Cascarano et al.,Acta Crystallogr., Sect A, 1996, C79)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_collimation    0.6_mm
_diffrn_radiation_monochromator  'vertically mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16373
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.57
_diffrn_source_current           75_mA
_diffrn_source_power             4.1_kW
_diffrn_source_type              'rotating anode'
_diffrn_source_voltage           55_kV
_exptl_absorpt_coefficient_mu    1.192
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.67347(6)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.682
_refine_diff_density_min         -1.141
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         7977
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.127
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.1076
_reflns_number_gt                6378
_reflns_number_total             7977
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035328isi20031118_025229_2.cif
_cod_data_source_block           16
_cod_original_cell_volume        1797.738(60)
_cod_database_code               4310682
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.81223(3) 0.14189(2) 0.380362(14) 0.02091(9) Uani 1 1 d . . .
C1 C 0.6591(4) 0.1159(3) 0.22880(18) 0.0205(7) Uani 1 1 d . . .
C2 C 0.5193(4) 0.0335(3) 0.23789(19) 0.0233(7) Uani 1 1 d . . .
C3 C 0.3932(4) 0.0219(3) 0.19548(19) 0.0270(8) Uani 1 1 d . . .
H3 H 0.3009 -0.0383 0.1985 0.032 Uiso 1 1 calc R . .
C4 C 0.4001(4) 0.0980(4) 0.1482(2) 0.0303(8) Uani 1 1 d . . .
H4 H 0.3138 0.0904 0.1181 0.036 Uiso 1 1 calc R . .
C5 C 0.5355(4) 0.1842(4) 0.14626(19) 0.0279(8) Uani 1 1 d . . .
H5 H 0.5402 0.2392 0.1160 0.033 Uiso 1 1 calc R . .
N1 N 0.6630(3) 0.1954(3) 0.18533(15) 0.0228(6) Uani 1 1 d . . .
C6 C 0.5045(4) -0.0410(3) 0.2950(2) 0.0271(8) Uani 1 1 d . . .
O1 O 0.7842(2) 0.1196(2) 0.25784(13) 0.0223(5) Uani 1 1 d . . .
O2 O 0.5951(3) 0.0080(2) 0.35913(14) 0.0311(6) Uani 1 1 d . . .
O3 O 0.4017(3) -0.1439(3) 0.28005(16) 0.0390(6) Uani 1 1 d . . .
Rh2 Rh 0.85345(3) 0.35610(2) 0.192672(14) 0.02201(9) Uani 1 1 d . . .
C7 C 0.7499(4) 0.3657(3) 0.34947(18) 0.0209(7) Uani 1 1 d . . .
C8 C 0.6484(4) 0.4274(3) 0.34210(19) 0.0229(7) Uani 1 1 d . . .
C9 C 0.5334(4) 0.4176(4) 0.3885(2) 0.0297(8) Uani 1 1 d . . .
H9 H 0.4673 0.4606 0.3855 0.036 Uiso 1 1 calc R . .
C10 C 0.5126(4) 0.3457(4) 0.4397(2) 0.0314(8) Uani 1 1 d . . .
H10 H 0.4364 0.3420 0.4736 0.038 Uiso 1 1 calc R . .
C11 C 0.6064(4) 0.2805(3) 0.43943(19) 0.0266(8) Uani 1 1 d . . .
H11 H 0.5903 0.2273 0.4719 0.032 Uiso 1 1 calc R . .
N2 N 0.7207(3) 0.2881(3) 0.39515(15) 0.0227(6) Uani 1 1 d . . .
C12 C 0.6574(4) 0.4971(3) 0.2840(2) 0.0290(8) Uani 1 1 d . . .
O4 O 0.8706(2) 0.3812(2) 0.31612(13) 0.0222(5) Uani 1 1 d . . .
O5 O 0.7205(3) 0.4692(3) 0.22112(15) 0.0327(6) Uani 1 1 d . . .
O6 O 0.5961(4) 0.5777(3) 0.29600(18) 0.0469(8) Uani 1 1 d . . .
C13 C 0.8595(4) 0.0788(4) 0.4751(2) 0.0290(8) Uani 1 1 d . . .
C14 C 0.9143(4) 0.0200(4) 0.4028(2) 0.0314(8) Uani 1 1 d . . .
C15 C 1.0243(4) 0.1197(4) 0.3833(2) 0.0293(8) Uani 1 1 d . . .
C16 C 1.0335(4) 0.2398(4) 0.4393(2) 0.0274(8) Uani 1 1 d . . .
C17 C 0.9324(4) 0.2122(3) 0.4969(2) 0.0279(8) Uani 1 1 d . . .
C18 C 0.7417(5) 0.0093(5) 0.5166(3) 0.0504(12) Uani 1 1 d . . .
H18A H 0.7851 -0.0273 0.5490 0.076 Uiso 1 1 calc R . .
H18B H 0.6632 -0.0589 0.4766 0.076 Uiso 1 1 calc R . .
H18C H 0.6999 0.0687 0.5512 0.076 Uiso 1 1 calc R . .
C19 C 0.8672(6) -0.1203(4) 0.3589(3) 0.0532(13) Uani 1 1 d . . .
H19A H 0.8674 -0.1348 0.3013 0.080 Uiso 1 1 calc R . .
H19B H 0.7673 -0.1633 0.3699 0.080 Uiso 1 1 calc R . .
H19C H 0.9362 -0.1543 0.3769 0.080 Uiso 1 1 calc R . .
C20 C 1.1095(5) 0.1009(5) 0.3133(2) 0.0513(12) Uani 1 1 d . . .
H20A H 1.1986 0.0867 0.3282 0.077 Uiso 1 1 calc R . .
H20B H 1.1380 0.1767 0.2966 0.077 Uiso 1 1 calc R . .
H20C H 1.0478 0.0270 0.2690 0.077 Uiso 1 1 calc R . .
C21 C 1.1339(5) 0.3688(4) 0.4439(3) 0.0452(10) Uani 1 1 d . . .
H21A H 1.2093 0.4026 0.4902 0.068 Uiso 1 1 calc R . .
H21B H 1.0766 0.4249 0.4495 0.068 Uiso 1 1 calc R . .
H21C H 1.1821 0.3641 0.3950 0.068 Uiso 1 1 calc R . .
C22 C 0.9122(5) 0.3097(4) 0.5692(2) 0.0434(11) Uani 1 1 d . . .
H22A H 0.8130 0.2766 0.5845 0.065 Uiso 1 1 calc R . .
H22B H 0.9239 0.3876 0.5567 0.065 Uiso 1 1 calc R . .
H22C H 0.9866 0.3286 0.6135 0.065 Uiso 1 1 calc R . .
C23 C 1.0035(4) 0.2789(4) 0.1273(2) 0.0295(8) Uani 1 1 d . . .
C24 C 0.9002(4) 0.2882(4) 0.0728(2) 0.0305(8) Uani 1 1 d . . .
C25 C 0.9148(4) 0.4179(4) 0.0918(2) 0.0294(8) Uani 1 1 d . . .
C26 C 1.0299(4) 0.4913(4) 0.1585(2) 0.0322(8) Uani 1 1 d . . .
C27 C 1.0854(4) 0.4046(4) 0.1788(2) 0.0325(8) Uani 1 1 d . . .
C28 C 1.0307(5) 0.1589(4) 0.1237(3) 0.0454(11) Uani 1 1 d . . .
H28A H 1.0694 0.1280 0.0734 0.068 Uiso 1 1 calc R . .
H28B H 0.9375 0.0939 0.1264 0.068 Uiso 1 1 calc R . .
H28C H 1.1027 0.1766 0.1688 0.068 Uiso 1 1 calc R . .
C29 C 0.7961(5) 0.1791(4) 0.0060(2) 0.0434(10) Uani 1 1 d . . .
H29A H 0.7117 0.2011 -0.0071 0.065 Uiso 1 1 calc R . .
H29B H 0.7605 0.1035 0.0228 0.065 Uiso 1 1 calc R . .
H29C H 0.8481 0.1617 -0.0412 0.065 Uiso 1 1 calc R . .
C30 C 0.8239(5) 0.4697(5) 0.0532(2) 0.0446(11) Uani 1 1 d . . .
H30A H 0.7422 0.3994 0.0166 0.067 Uiso 1 1 calc R . .
H30B H 0.8859 0.5211 0.0233 0.067 Uiso 1 1 calc R . .
H30C H 0.7839 0.5228 0.0944 0.067 Uiso 1 1 calc R . .
C31 C 1.0812(6) 0.6330(4) 0.1957(3) 0.0520(12) Uani 1 1 d . . .
H31A H 1.1352 0.6582 0.2487 0.078 Uiso 1 1 calc R . .
H31B H 0.9954 0.6602 0.2008 0.078 Uiso 1 1 calc R . .
H31C H 1.1467 0.6732 0.1618 0.078 Uiso 1 1 calc R . .
C32 C 1.2056(5) 0.4395(5) 0.2446(2) 0.0511(12) Uani 1 1 d . . .
H32A H 1.3012 0.4546 0.2233 0.077 Uiso 1 1 calc R . .
H32B H 1.1863 0.3699 0.2669 0.077 Uiso 1 1 calc R . .
H32C H 1.2079 0.5167 0.2867 0.077 Uiso 1 1 calc R . .
C33 C 0.6738(5) -0.2604(4) 0.0561(2) 0.0410(10) Uani 1 1 d . . .
H33 H 0.6191 -0.3028 0.0936 0.049 Uiso 1 1 calc R . .
Cl1 Cl 0.64116(15) -0.37418(11) -0.03919(7) 0.0543(3) Uani 1 1 d . . .
Cl2 Cl 0.60913(16) -0.13837(13) 0.05399(7) 0.0605(3) Uani 1 1 d . . .
Cl3 Cl 0.86416(15) -0.19415(13) 0.09192(9) 0.0668(4) Uani 1 1 d . . .
O91 O 0.4469(4) 0.7287(3) 0.38899(18) 0.0499(8) Uani 1 1 d D . .
H911 H 0.496(7) 0.687(6) 0.364(4) 0.125(15) Uiso 1 1 d D . .
H912 H 0.450(8) 0.780(6) 0.365(4) 0.125(15) Uiso 1 1 d D . .
O92 O 0.4929(5) 0.6511(3) 0.17885(18) 0.0575(9) Uani 1 1 d D . .
H921 H 0.514(8) 0.661(6) 0.135(2) 0.125(15) Uiso 1 1 d D . .
H922 H 0.465(8) 0.711(5) 0.201(3) 0.125(15) Uiso 1 1 d D . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?
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 O2 85.21(9) . . ?
O1 Rh1 C14 112.36(11) . . ?
O2 Rh1 C14 95.08(13) . . ?
O1 Rh1 C13 151.15(12) . . ?
O2 Rh1 C13 89.34(12) . . ?
C14 Rh1 C13 39.93(14) . . ?
O1 Rh1 C17 155.32(12) . . ?
O2 Rh1 C17 119.34(12) . . ?
C14 Rh1 C17 66.04(13) . . ?
C13 Rh1 C17 38.79(14) . . ?
O1 Rh1 C16 116.02(12) . . ?
O2 Rh1 C16 155.52(12) . . ?
C14 Rh1 C16 66.46(14) . . ?
C13 Rh1 C16 66.19(14) . . ?
C17 Rh1 C16 39.56(14) . . ?
O1 Rh1 N2 84.29(9) . . ?
O2 Rh1 N2 88.80(10) . . ?
C14 Rh1 N2 163.13(12) . . ?
C13 Rh1 N2 123.96(12) . . ?
C17 Rh1 N2 97.78(12) . . ?
C16 Rh1 N2 104.57(12) . . ?
O1 Rh1 C15 97.43(11) . . ?
O2 Rh1 C15 131.35(13) . . ?
C14 Rh1 C15 39.11(15) . . ?
C13 Rh1 C15 65.63(14) . . ?
C17 Rh1 C15 65.27(13) . . ?
C16 Rh1 C15 39.09(14) . . ?
N2 Rh1 C15 139.85(14) . . ?
O1 C1 N1 117.5(3) . . ?
O1 C1 C2 124.0(3) . . ?
N1 C1 C2 118.5(3) . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 C6 118.3(3) . . ?
C1 C2 C6 121.5(3) . . ?
C2 C3 C4 120.2(3) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 117.9(3) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
N1 C5 C4 123.4(3) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
C5 N1 C1 119.3(3) . . ?
C5 N1 Rh2 117.4(2) . . ?
C1 N1 Rh2 122.4(2) . . ?
O3 C6 O2 122.4(3) . . ?
O3 C6 C2 119.0(3) . . ?
O2 C6 C2 118.4(3) . . ?
C1 O1 Rh1 117.51(19) . . ?
C6 O2 Rh1 128.5(2) . . ?
O5 Rh2 O4 84.61(9) . . ?
O5 Rh2 N1 88.53(11) . . ?
O4 Rh2 N1 84.45(9) . . ?
O5 Rh2 C23 156.30(12) . . ?
O4 Rh2 C23 115.79(12) . . ?
N1 Rh2 C23 104.61(13) . . ?
O5 Rh2 C24 120.72(12) . . ?
O4 Rh2 C24 154.64(12) . . ?
N1 Rh2 C24 96.56(13) . . ?
C23 Rh2 C24 39.39(14) . . ?
O5 Rh2 C25 90.44(12) . . ?
O4 Rh2 C25 152.62(13) . . ?
N1 Rh2 C25 122.42(13) . . ?
C23 Rh2 C25 65.89(14) . . ?
C24 Rh2 C25 38.85(14) . . ?
O5 Rh2 C26 95.64(13) . . ?
O4 Rh2 C26 114.14(12) . . ?
N1 Rh2 C26 161.21(12) . . ?
C23 Rh2 C26 65.82(14) . . ?
C24 Rh2 C26 65.59(14) . . ?
C25 Rh2 C26 39.50(14) . . ?
O5 Rh2 C27 131.19(13) . . ?
O4 Rh2 C27 98.05(11) . . ?
N1 Rh2 C27 140.28(13) . . ?
C23 Rh2 C27 38.95(14) . . ?
C24 Rh2 C27 65.25(14) . . ?
C25 Rh2 C27 65.52(14) . . ?
C26 Rh2 C27 38.95(15) . . ?
O4 C7 N2 117.6(3) . . ?
O4 C7 C8 123.5(3) . . ?
N2 C7 C8 118.9(3) . . ?
C9 C8 C7 118.7(3) . . ?
C9 C8 C12 118.4(3) . . ?
C7 C8 C12 122.8(3) . . ?
C8 C9 C10 121.1(3) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C9 117.5(3) . . ?
C11 C10 H10 121.3 . . ?
C9 C10 H10 121.3 . . ?
N2 C11 C10 123.1(3) . . ?
N2 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
C11 N2 C7 120.2(3) . . ?
C11 N2 Rh1 115.4(2) . . ?
C7 N2 Rh1 122.8(2) . . ?
O6 C12 O5 121.4(3) . . ?
O6 C12 C8 118.7(3) . . ?
O5 C12 C8 119.8(3) . . ?
C7 O4 Rh2 117.28(19) . . ?
C12 O5 Rh2 129.2(2) . . ?
C17 C13 C14 107.9(3) . . ?
C17 C13 C18 126.7(4) . . ?
C14 C13 C18 125.4(4) . . ?
C17 C13 Rh1 70.82(19) . . ?
C14 C13 Rh1 69.59(19) . . ?
C18 C13 Rh1 123.3(3) . . ?
C15 C14 C13 107.3(3) . . ?
C15 C14 C19 126.8(4) . . ?
C13 C14 C19 125.9(4) . . ?
C15 C14 Rh1 71.6(2) . . ?
C13 C14 Rh1 70.47(19) . . ?
C19 C14 Rh1 124.8(3) . . ?
C14 C15 C16 109.1(3) . . ?
C14 C15 C20 125.0(4) . . ?
C16 C15 C20 125.9(4) . . ?
C14 C15 Rh1 69.3(2) . . ?
C16 C15 Rh1 69.97(19) . . ?
C20 C15 Rh1 124.6(3) . . ?
C15 C16 C17 106.7(3) . . ?
C15 C16 C21 128.3(3) . . ?
C17 C16 C21 124.8(3) . . ?
C15 C16 Rh1 70.9(2) . . ?
C17 C16 Rh1 70.19(19) . . ?
C21 C16 Rh1 127.5(3) . . ?
C13 C17 C16 108.9(3) . . ?
C13 C17 C22 125.9(4) . . ?
C16 C17 C22 125.1(4) . . ?
C13 C17 Rh1 70.39(19) . . ?
C16 C17 Rh1 70.25(19) . . ?
C22 C17 Rh1 126.7(3) . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C27 C23 C24 107.7(3) . . ?
C27 C23 C28 126.8(4) . . ?
C24 C23 C28 125.2(4) . . ?
C27 C23 Rh2 71.5(2) . . ?
C24 C23 Rh2 70.6(2) . . ?
C28 C23 Rh2 128.5(3) . . ?
C25 C24 C23 108.6(3) . . ?
C25 C24 C29 125.8(4) . . ?
C23 C24 C29 125.6(4) . . ?
C25 C24 Rh2 70.79(19) . . ?
C23 C24 Rh2 70.04(19) . . ?
C29 C24 Rh2 125.9(3) . . ?
C24 C25 C26 107.7(3) . . ?
C24 C25 C30 126.7(4) . . ?
C26 C25 C30 125.5(4) . . ?
C24 C25 Rh2 70.4(2) . . ?
C26 C25 Rh2 70.4(2) . . ?
C30 C25 Rh2 122.6(3) . . ?
C27 C26 C25 107.5(3) . . ?
C27 C26 C31 128.0(4) . . ?
C25 C26 C31 124.4(4) . . ?
C27 C26 Rh2 70.9(2) . . ?
C25 C26 Rh2 70.1(2) . . ?
C31 C26 Rh2 125.8(3) . . ?
C23 C27 C26 108.5(3) . . ?
C23 C27 C32 125.8(4) . . ?
C26 C27 C32 125.8(4) . . ?
C23 C27 Rh2 69.6(2) . . ?
C26 C27 Rh2 70.2(2) . . ?
C32 C27 Rh2 124.6(3) . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Cl1 C33 Cl2 110.6(2) . . ?
Cl1 C33 Cl3 111.0(2) . . ?
Cl2 C33 Cl3 109.5(2) . . ?
Cl1 C33 H33 108.6 . . ?
Cl2 C33 H33 108.6 . . ?
Cl3 C33 H33 108.6 . . ?
H911 O91 H912 104.0(9) . . ?
H921 O92 H922 103.1(8) . . ?
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 2.107(2) . ?
Rh1 O2 2.108(3) . ?
Rh1 C14 2.121(3) . ?
Rh1 C13 2.133(3) . ?
Rh1 C17 2.139(3) . ?
Rh1 C16 2.139(3) . ?
Rh1 N2 2.140(3) . ?
Rh1 C15 2.152(3) . ?
C1 O1 1.291(4) . ?
C1 N1 1.374(4) . ?
C1 C2 1.419(5) . ?
C2 C3 1.372(5) . ?
C2 C6 1.507(5) . ?
C3 C4 1.389(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(5) . ?
C4 H4 0.9500 . ?
C5 N1 1.356(4) . ?
C5 H5 0.9500 . ?
N1 Rh2 2.124(3) . ?
C6 O3 1.235(4) . ?
C6 O2 1.280(4) . ?
Rh2 O5 2.106(2) . ?
Rh2 O4 2.110(2) . ?
Rh2 C23 2.128(3) . ?
Rh2 C24 2.135(3) . ?
Rh2 C25 2.141(3) . ?
Rh2 C26 2.144(4) . ?
Rh2 C27 2.154(4) . ?
C7 O4 1.292(4) . ?
C7 N2 1.361(4) . ?
C7 C8 1.431(4) . ?
C8 C9 1.379(5) . ?
C8 C12 1.487(5) . ?
C9 C10 1.392(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.371(5) . ?
C10 H10 0.9500 . ?
C11 N2 1.351(4) . ?
C11 H11 0.9500 . ?
C12 O6 1.248(4) . ?
C12 O5 1.279(4) . ?
C13 C17 1.418(5) . ?
C13 C14 1.453(5) . ?
C13 C18 1.502(6) . ?
C14 C15 1.431(6) . ?
C14 C19 1.505(5) . ?
C15 C16 1.436(5) . ?
C15 C20 1.492(5) . ?
C16 C17 1.448(5) . ?
C16 C21 1.484(6) . ?
C17 C22 1.501(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C27 1.428(5) . ?
C23 C24 1.437(5) . ?
C23 C28 1.509(5) . ?
C24 C25 1.422(5) . ?
C24 C29 1.503(5) . ?
C25 C26 1.448(5) . ?
C25 C30 1.489(5) . ?
C26 C27 1.433(6) . ?
C26 C31 1.500(6) . ?
C27 C32 1.499(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 Cl1 1.754(4) . ?
C33 Cl2 1.762(4) . ?
C33 Cl3 1.764(5) . ?
C33 H33 1.0000 . ?
O91 H911 0.83(3) . ?
O91 H912 0.83(3) . ?
O92 H921 0.83(3) . ?
O92 H922 0.83(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -170.3(3) . . . . ?
N1 C1 C2 C3 8.5(5) . . . . ?
O1 C1 C2 C6 11.0(5) . . . . ?
N1 C1 C2 C6 -170.2(3) . . . . ?
C1 C2 C3 C4 -5.0(5) . . . . ?
C6 C2 C3 C4 173.7(3) . . . . ?
C2 C3 C4 C5 -0.6(5) . . . . ?
C3 C4 C5 N1 2.8(5) . . . . ?
C4 C5 N1 C1 0.8(5) . . . . ?
C4 C5 N1 Rh2 -168.9(3) . . . . ?
O1 C1 N1 C5 172.5(3) . . . . ?
C2 C1 N1 C5 -6.3(4) . . . . ?
O1 C1 N1 Rh2 -18.3(4) . . . . ?
C2 C1 N1 Rh2 162.8(2) . . . . ?
C3 C2 C6 O3 30.3(5) . . . . ?
C1 C2 C6 O3 -151.0(3) . . . . ?
C3 C2 C6 O2 -146.5(3) . . . . ?
C1 C2 C6 O2 32.2(5) . . . . ?
N1 C1 O1 Rh1 129.1(2) . . . . ?
C2 C1 O1 Rh1 -52.1(4) . . . . ?
O2 Rh1 O1 C1 43.1(2) . . . . ?
C14 Rh1 O1 C1 136.6(2) . . . . ?
C13 Rh1 O1 C1 122.9(3) . . . . ?
C17 Rh1 O1 C1 -142.4(3) . . . . ?
C16 Rh1 O1 C1 -149.6(2) . . . . ?
N2 Rh1 O1 C1 -46.2(2) . . . . ?
C15 Rh1 O1 C1 174.2(2) . . . . ?
O3 C6 O2 Rh1 156.8(3) . . . . ?
C2 C6 O2 Rh1 -26.5(4) . . . . ?
O1 Rh1 O2 C6 -5.6(3) . . . . ?
C14 Rh1 O2 C6 -117.6(3) . . . . ?
C13 Rh1 O2 C6 -157.2(3) . . . . ?
C17 Rh1 O2 C6 177.1(3) . . . . ?
C16 Rh1 O2 C6 -157.1(3) . . . . ?
N2 Rh1 O2 C6 78.8(3) . . . . ?
C15 Rh1 O2 C6 -101.3(3) . . . . ?
C5 N1 Rh2 O5 44.1(2) . . . . ?
C1 N1 Rh2 O5 -125.2(2) . . . . ?
C5 N1 Rh2 O4 128.8(2) . . . . ?
C1 N1 Rh2 O4 -40.5(2) . . . . ?
C5 N1 Rh2 C23 -115.9(2) . . . . ?
C1 N1 Rh2 C23 74.7(3) . . . . ?
C5 N1 Rh2 C24 -76.7(3) . . . . ?
C1 N1 Rh2 C24 114.0(2) . . . . ?
C5 N1 Rh2 C25 -45.5(3) . . . . ?
C1 N1 Rh2 C25 145.2(2) . . . . ?
C5 N1 Rh2 C26 -59.2(5) . . . . ?
C1 N1 Rh2 C26 131.5(4) . . . . ?
C5 N1 Rh2 C27 -135.3(3) . . . . ?
C1 N1 Rh2 C27 55.4(3) . . . . ?
O4 C7 C8 C9 -171.5(3) . . . . ?
N2 C7 C8 C9 7.2(5) . . . . ?
O4 C7 C8 C12 11.2(5) . . . . ?
N2 C7 C8 C12 -170.1(3) . . . . ?
C7 C8 C9 C10 -2.1(5) . . . . ?
C12 C8 C9 C10 175.3(3) . . . . ?
C8 C9 C10 C11 -3.0(6) . . . . ?
C9 C10 C11 N2 3.4(6) . . . . ?
C10 C11 N2 C7 1.7(5) . . . . ?
C10 C11 N2 Rh1 -164.1(3) . . . . ?
O4 C7 N2 C11 171.8(3) . . . . ?
C8 C7 N2 C11 -7.0(5) . . . . ?
O4 C7 N2 Rh1 -23.5(4) . . . . ?
C8 C7 N2 Rh1 157.7(2) . . . . ?
O1 Rh1 N2 C11 129.0(2) . . . . ?
O2 Rh1 N2 C11 43.7(2) . . . . ?
C14 Rh1 N2 C11 -60.0(6) . . . . ?
C13 Rh1 N2 C11 -44.7(3) . . . . ?
C17 Rh1 N2 C11 -75.8(3) . . . . ?
C16 Rh1 N2 C11 -115.6(2) . . . . ?
C15 Rh1 N2 C11 -136.3(3) . . . . ?
O1 Rh1 N2 C7 -36.5(3) . . . . ?
O2 Rh1 N2 C7 -121.8(3) . . . . ?
C14 Rh1 N2 C7 134.6(4) . . . . ?
C13 Rh1 N2 C7 149.8(2) . . . . ?
C17 Rh1 N2 C7 118.8(3) . . . . ?
C16 Rh1 N2 C7 79.0(3) . . . . ?
C15 Rh1 N2 C7 58.3(3) . . . . ?
C9 C8 C12 O6 23.4(5) . . . . ?
C7 C8 C12 O6 -159.4(4) . . . . ?
C9 C8 C12 O5 -153.0(3) . . . . ?
C7 C8 C12 O5 24.3(5) . . . . ?
N2 C7 O4 Rh2 130.0(2) . . . . ?
C8 C7 O4 Rh2 -51.3(4) . . . . ?
O5 Rh2 O4 C7 46.1(2) . . . . ?
N1 Rh2 O4 C7 -42.9(2) . . . . ?
C23 Rh2 O4 C7 -146.5(2) . . . . ?
C24 Rh2 O4 C7 -136.5(3) . . . . ?
C25 Rh2 O4 C7 126.6(3) . . . . ?
C26 Rh2 O4 C7 139.9(2) . . . . ?
C27 Rh2 O4 C7 177.0(2) . . . . ?
O6 C12 O5 Rh2 171.5(3) . . . . ?
C8 C12 O5 Rh2 -12.2(5) . . . . ?
O4 Rh2 O5 C12 -16.6(3) . . . . ?
N1 Rh2 O5 C12 68.0(3) . . . . ?
C23 Rh2 O5 C12 -167.3(3) . . . . ?
C24 Rh2 O5 C12 164.7(3) . . . . ?
C25 Rh2 O5 C12 -169.6(3) . . . . ?
C26 Rh2 O5 C12 -130.4(3) . . . . ?
C27 Rh2 O5 C12 -112.6(3) . . . . ?
O1 Rh1 C13 C17 138.4(2) . . . . ?
O2 Rh1 C13 C17 -142.8(2) . . . . ?
C14 Rh1 C13 C17 118.4(3) . . . . ?
C16 Rh1 C13 C17 37.2(2) . . . . ?
N2 Rh1 C13 C17 -54.7(3) . . . . ?
C15 Rh1 C13 C17 80.2(2) . . . . ?
O1 Rh1 C13 C14 19.9(4) . . . . ?
O2 Rh1 C13 C14 98.7(2) . . . . ?
C17 Rh1 C13 C14 -118.4(3) . . . . ?
C16 Rh1 C13 C14 -81.2(2) . . . . ?
N2 Rh1 C13 C14 -173.2(2) . . . . ?
C15 Rh1 C13 C14 -38.2(2) . . . . ?
O1 Rh1 C13 C18 -99.7(4) . . . . ?
O2 Rh1 C13 C18 -20.9(3) . . . . ?
C14 Rh1 C13 C18 -119.7(4) . . . . ?
C17 Rh1 C13 C18 121.9(4) . . . . ?
C16 Rh1 C13 C18 159.1(4) . . . . ?
N2 Rh1 C13 C18 67.2(4) . . . . ?
C15 Rh1 C13 C18 -157.9(4) . . . . ?
C17 C13 C14 C15 1.8(4) . . . . ?
C18 C13 C14 C15 179.5(3) . . . . ?
Rh1 C13 C14 C15 62.6(2) . . . . ?
C17 C13 C14 C19 179.8(3) . . . . ?
C18 C13 C14 C19 -2.4(6) . . . . ?
Rh1 C13 C14 C19 -119.4(4) . . . . ?
C17 C13 C14 Rh1 -60.8(2) . . . . ?
C18 C13 C14 Rh1 117.0(4) . . . . ?
O1 Rh1 C14 C15 73.5(2) . . . . ?
O2 Rh1 C14 C15 160.4(2) . . . . ?
C13 Rh1 C14 C15 -116.8(3) . . . . ?
C17 Rh1 C14 C15 -79.7(2) . . . . ?
C16 Rh1 C14 C15 -36.3(2) . . . . ?
N2 Rh1 C14 C15 -96.9(5) . . . . ?
O1 Rh1 C14 C13 -169.8(2) . . . . ?
O2 Rh1 C14 C13 -82.9(2) . . . . ?
C17 Rh1 C14 C13 37.1(2) . . . . ?
C16 Rh1 C14 C13 80.5(2) . . . . ?
N2 Rh1 C14 C13 19.9(6) . . . . ?
C15 Rh1 C14 C13 116.8(3) . . . . ?
O1 Rh1 C14 C19 -49.1(4) . . . . ?
O2 Rh1 C14 C19 37.8(4) . . . . ?
C13 Rh1 C14 C19 120.7(5) . . . . ?
C17 Rh1 C14 C19 157.8(4) . . . . ?
C16 Rh1 C14 C19 -158.8(4) . . . . ?
N2 Rh1 C14 C19 140.6(4) . . . . ?
C15 Rh1 C14 C19 -122.6(5) . . . . ?
C13 C14 C15 C16 -3.0(4) . . . . ?
C19 C14 C15 C16 179.0(3) . . . . ?
Rh1 C14 C15 C16 58.8(2) . . . . ?
C13 C14 C15 C20 179.8(3) . . . . ?
C19 C14 C15 C20 1.8(6) . . . . ?
Rh1 C14 C15 C20 -118.4(4) . . . . ?
C13 C14 C15 Rh1 -61.8(2) . . . . ?
C19 C14 C15 Rh1 120.2(4) . . . . ?
O1 Rh1 C15 C14 -116.6(2) . . . . ?
O2 Rh1 C15 C14 -26.4(3) . . . . ?
C13 Rh1 C15 C14 39.0(2) . . . . ?
C17 Rh1 C15 C14 81.8(2) . . . . ?
C16 Rh1 C15 C14 120.6(3) . . . . ?
N2 Rh1 C15 C14 153.5(2) . . . . ?
O1 Rh1 C15 C16 122.8(2) . . . . ?
O2 Rh1 C15 C16 -147.09(19) . . . . ?
C14 Rh1 C15 C16 -120.6(3) . . . . ?
C13 Rh1 C15 C16 -81.6(2) . . . . ?
C17 Rh1 C15 C16 -38.8(2) . . . . ?
N2 Rh1 C15 C16 32.8(3) . . . . ?
O1 Rh1 C15 C20 2.3(4) . . . . ?
O2 Rh1 C15 C20 92.5(4) . . . . ?
C14 Rh1 C15 C20 118.9(5) . . . . ?
C13 Rh1 C15 C20 157.9(4) . . . . ?
C17 Rh1 C15 C20 -159.3(4) . . . . ?
C16 Rh1 C15 C20 -120.4(5) . . . . ?
N2 Rh1 C15 C20 -87.6(4) . . . . ?
C14 C15 C16 C17 3.1(4) . . . . ?
C20 C15 C16 C17 -179.8(3) . . . . ?
Rh1 C15 C16 C17 61.4(2) . . . . ?
C14 C15 C16 C21 178.4(3) . . . . ?
C20 C15 C16 C21 -4.5(6) . . . . ?
Rh1 C15 C16 C21 -123.2(4) . . . . ?
C14 C15 C16 Rh1 -58.4(2) . . . . ?
C20 C15 C16 Rh1 118.8(4) . . . . ?
O1 Rh1 C16 C15 -68.1(2) . . . . ?
O2 Rh1 C16 C15 79.9(4) . . . . ?
C14 Rh1 C16 C15 36.3(2) . . . . ?
C13 Rh1 C16 C15 80.1(2) . . . . ?
C17 Rh1 C16 C15 116.6(3) . . . . ?
N2 Rh1 C16 C15 -158.8(2) . . . . ?
O1 Rh1 C16 C17 175.27(18) . . . . ?
O2 Rh1 C16 C17 -36.7(4) . . . . ?
C14 Rh1 C16 C17 -80.3(2) . . . . ?
C13 Rh1 C16 C17 -36.5(2) . . . . ?
N2 Rh1 C16 C17 84.5(2) . . . . ?
C15 Rh1 C16 C17 -116.6(3) . . . . ?
O1 Rh1 C16 C21 56.1(4) . . . . ?
O2 Rh1 C16 C21 -155.9(3) . . . . ?
C14 Rh1 C16 C21 160.5(4) . . . . ?
C13 Rh1 C16 C21 -155.7(4) . . . . ?
C17 Rh1 C16 C21 -119.2(4) . . . . ?
N2 Rh1 C16 C21 -34.6(4) . . . . ?
C15 Rh1 C16 C21 124.2(4) . . . . ?
C14 C13 C17 C16 0.1(4) . . . . ?
C18 C13 C17 C16 -177.6(4) . . . . ?
Rh1 C13 C17 C16 -59.9(2) . . . . ?
C14 C13 C17 C22 -178.3(3) . . . . ?
C18 C13 C17 C22 4.0(6) . . . . ?
Rh1 C13 C17 C22 121.7(4) . . . . ?
C14 C13 C17 Rh1 60.0(2) . . . . ?
C18 C13 C17 Rh1 -117.7(4) . . . . ?
C15 C16 C17 C13 -1.9(4) . . . . ?
C21 C16 C17 C13 -177.5(3) . . . . ?
Rh1 C16 C17 C13 60.0(2) . . . . ?
C15 C16 C17 C22 176.5(3) . . . . ?
C21 C16 C17 C22 0.9(6) . . . . ?
Rh1 C16 C17 C22 -121.6(4) . . . . ?
C15 C16 C17 Rh1 -61.9(2) . . . . ?
C21 C16 C17 Rh1 122.5(3) . . . . ?
O1 Rh1 C17 C13 -129.8(3) . . . . ?
O2 Rh1 C17 C13 43.9(2) . . . . ?
C14 Rh1 C17 C13 -38.1(2) . . . . ?
C16 Rh1 C17 C13 -119.6(3) . . . . ?
N2 Rh1 C17 C13 136.9(2) . . . . ?
C15 Rh1 C17 C13 -81.2(2) . . . . ?
O1 Rh1 C17 C16 -10.2(4) . . . . ?
O2 Rh1 C17 C16 163.50(19) . . . . ?
C14 Rh1 C17 C16 81.5(2) . . . . ?
C13 Rh1 C17 C16 119.6(3) . . . . ?
N2 Rh1 C17 C16 -103.5(2) . . . . ?
C15 Rh1 C17 C16 38.4(2) . . . . ?
O1 Rh1 C17 C22 109.4(4) . . . . ?
O2 Rh1 C17 C22 -76.9(4) . . . . ?
C14 Rh1 C17 C22 -158.9(4) . . . . ?
C13 Rh1 C17 C22 -120.7(5) . . . . ?
C16 Rh1 C17 C22 119.6(5) . . . . ?
N2 Rh1 C17 C22 16.2(4) . . . . ?
C15 Rh1 C17 C22 158.0(4) . . . . ?
O5 Rh2 C23 C27 77.8(4) . . . . ?
O4 Rh2 C23 C27 -69.5(2) . . . . ?
N1 Rh2 C23 C27 -160.3(2) . . . . ?
C24 Rh2 C23 C27 117.2(3) . . . . ?
C25 Rh2 C23 C27 80.3(2) . . . . ?
C26 Rh2 C23 C27 36.8(2) . . . . ?
O5 Rh2 C23 C24 -39.4(4) . . . . ?
O4 Rh2 C23 C24 173.29(19) . . . . ?
N1 Rh2 C23 C24 82.4(2) . . . . ?
C25 Rh2 C23 C24 -36.9(2) . . . . ?
C26 Rh2 C23 C24 -80.4(2) . . . . ?
C27 Rh2 C23 C24 -117.2(3) . . . . ?
O5 Rh2 C23 C28 -159.5(3) . . . . ?
O4 Rh2 C23 C28 53.2(4) . . . . ?
N1 Rh2 C23 C28 -37.6(4) . . . . ?
C24 Rh2 C23 C28 -120.1(5) . . . . ?
C25 Rh2 C23 C28 -157.0(4) . . . . ?
C26 Rh2 C23 C28 159.5(4) . . . . ?
C27 Rh2 C23 C28 122.7(5) . . . . ?
C27 C23 C24 C25 -1.7(4) . . . . ?
C28 C23 C24 C25 -175.4(3) . . . . ?
Rh2 C23 C24 C25 60.6(2) . . . . ?
C27 C23 C24 C29 177.3(4) . . . . ?
C28 C23 C24 C29 3.6(6) . . . . ?
Rh2 C23 C24 C29 -120.4(4) . . . . ?
C27 C23 C24 Rh2 -62.3(2) . . . . ?
C28 C23 C24 Rh2 124.0(4) . . . . ?
O5 Rh2 C24 C25 43.6(3) . . . . ?
O4 Rh2 C24 C25 -133.3(3) . . . . ?
N1 Rh2 C24 C25 135.8(2) . . . . ?
C23 Rh2 C24 C25 -119.1(3) . . . . ?
C26 Rh2 C24 C25 -38.1(2) . . . . ?
C27 Rh2 C24 C25 -81.1(2) . . . . ?
O5 Rh2 C24 C23 162.7(2) . . . . ?
O4 Rh2 C24 C23 -14.2(4) . . . . ?
N1 Rh2 C24 C23 -105.1(2) . . . . ?
C25 Rh2 C24 C23 119.1(3) . . . . ?
C26 Rh2 C24 C23 81.0(2) . . . . ?
C27 Rh2 C24 C23 38.0(2) . . . . ?
O5 Rh2 C24 C29 -77.1(4) . . . . ?
O4 Rh2 C24 C29 105.9(4) . . . . ?
N1 Rh2 C24 C29 15.1(4) . . . . ?
C23 Rh2 C24 C29 120.1(4) . . . . ?
C25 Rh2 C24 C29 -120.8(4) . . . . ?
C26 Rh2 C24 C29 -158.8(4) . . . . ?
C27 Rh2 C24 C29 158.1(4) . . . . ?
C23 C24 C25 C26 0.7(4) . . . . ?
C29 C24 C25 C26 -178.4(3) . . . . ?
Rh2 C24 C25 C26 60.8(2) . . . . ?
C23 C24 C25 C30 -176.6(4) . . . . ?
C29 C24 C25 C30 4.4(6) . . . . ?
Rh2 C24 C25 C30 -116.5(4) . . . . ?
C23 C24 C25 Rh2 -60.1(2) . . . . ?
C29 C24 C25 Rh2 120.9(4) . . . . ?
O5 Rh2 C25 C24 -143.6(2) . . . . ?
O4 Rh2 C25 C24 137.3(3) . . . . ?
N1 Rh2 C25 C24 -55.1(3) . . . . ?
C23 Rh2 C25 C24 37.4(2) . . . . ?
C26 Rh2 C25 C24 118.1(3) . . . . ?
C27 Rh2 C25 C24 80.3(2) . . . . ?
O5 Rh2 C25 C26 98.3(2) . . . . ?
O4 Rh2 C25 C26 19.3(4) . . . . ?
N1 Rh2 C25 C26 -173.1(2) . . . . ?
C23 Rh2 C25 C26 -80.6(2) . . . . ?
C24 Rh2 C25 C26 -118.1(3) . . . . ?
C27 Rh2 C25 C26 -37.7(2) . . . . ?
O5 Rh2 C25 C30 -22.0(3) . . . . ?
O4 Rh2 C25 C30 -101.0(4) . . . . ?
N1 Rh2 C25 C30 66.6(4) . . . . ?
C23 Rh2 C25 C30 159.1(4) . . . . ?
C24 Rh2 C25 C30 121.6(4) . . . . ?
C26 Rh2 C25 C30 -120.3(4) . . . . ?
C27 Rh2 C25 C30 -158.0(4) . . . . ?
C24 C25 C26 C27 0.6(4) . . . . ?
C30 C25 C26 C27 177.9(3) . . . . ?
Rh2 C25 C26 C27 61.4(2) . . . . ?
C24 C25 C26 C31 178.8(3) . . . . ?
C30 C25 C26 C31 -3.9(6) . . . . ?
Rh2 C25 C26 C31 -120.5(4) . . . . ?
C24 C25 C26 Rh2 -60.8(2) . . . . ?
C30 C25 C26 Rh2 116.6(4) . . . . ?
O5 Rh2 C26 C27 158.5(2) . . . . ?
O4 Rh2 C26 C27 71.9(2) . . . . ?
N1 Rh2 C26 C27 -99.3(4) . . . . ?
C23 Rh2 C26 C27 -36.8(2) . . . . ?
C24 Rh2 C26 C27 -80.2(2) . . . . ?
C25 Rh2 C26 C27 -117.7(3) . . . . ?
O5 Rh2 C26 C25 -83.8(2) . . . . ?
O4 Rh2 C26 C25 -170.42(19) . . . . ?
N1 Rh2 C26 C25 18.3(5) . . . . ?
C23 Rh2 C26 C25 80.8(2) . . . . ?
C24 Rh2 C26 C25 37.4(2) . . . . ?
C27 Rh2 C26 C25 117.7(3) . . . . ?
O5 Rh2 C26 C31 34.9(4) . . . . ?
O4 Rh2 C26 C31 -51.7(4) . . . . ?
N1 Rh2 C26 C31 137.0(4) . . . . ?
C23 Rh2 C26 C31 -160.4(4) . . . . ?
C24 Rh2 C26 C31 156.2(4) . . . . ?
C25 Rh2 C26 C31 118.7(5) . . . . ?
C27 Rh2 C26 C31 -123.6(5) . . . . ?
C24 C23 C27 C26 2.1(4) . . . . ?
C28 C23 C27 C26 175.7(4) . . . . ?
Rh2 C23 C27 C26 -59.6(2) . . . . ?
C24 C23 C27 C32 -179.8(3) . . . . ?
C28 C23 C27 C32 -6.2(6) . . . . ?
Rh2 C23 C27 C32 118.6(4) . . . . ?
C24 C23 C27 Rh2 61.7(2) . . . . ?
C28 C23 C27 Rh2 -124.8(4) . . . . ?
C25 C26 C27 C23 -1.7(4) . . . . ?
C31 C26 C27 C23 -179.8(4) . . . . ?
Rh2 C26 C27 C23 59.2(2) . . . . ?
C25 C26 C27 C32 -179.8(3) . . . . ?
C31 C26 C27 C32 2.1(6) . . . . ?
Rh2 C26 C27 C32 -119.0(4) . . . . ?
C25 C26 C27 Rh2 -60.9(2) . . . . ?
C31 C26 C27 Rh2 121.0(4) . . . . ?
O5 Rh2 C27 C23 -148.5(2) . . . . ?
O4 Rh2 C27 C23 121.6(2) . . . . ?
N1 Rh2 C27 C23 30.6(3) . . . . ?
C24 Rh2 C27 C23 -38.4(2) . . . . ?
C25 Rh2 C27 C23 -81.3(2) . . . . ?
C26 Rh2 C27 C23 -119.6(3) . . . . ?
O5 Rh2 C27 C26 -29.0(3) . . . . ?
O4 Rh2 C27 C26 -118.8(2) . . . . ?
N1 Rh2 C27 C26 150.2(2) . . . . ?
C23 Rh2 C27 C26 119.6(3) . . . . ?
C24 Rh2 C27 C26 81.2(2) . . . . ?
C25 Rh2 C27 C26 38.2(2) . . . . ?
O5 Rh2 C27 C32 91.4(4) . . . . ?
O4 Rh2 C27 C32 1.6(4) . . . . ?
N1 Rh2 C27 C32 -89.4(4) . . . . ?
C23 Rh2 C27 C32 -120.0(5) . . . . ?
C24 Rh2 C27 C32 -158.5(4) . . . . ?
C25 Rh2 C27 C32 158.6(4) . . . . ?
C26 Rh2 C27 C32 120.4(5) . . . . ?
