#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:57:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180324 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/38/7153891.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_7153891
loop_
_publ_author_name
'Lam, Hon-Wah'
'Man, Ka-Yi'
'Chan, Wai-Wing'
'Zhou, Zhongyuan'
'Yu, Wing-Yiu'
_publ_section_title
;
 Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of
 benzohydroxamic acids and α-diazoesters. A facile synthesis of
 functionalized benzolactams.
;
_journal_issue                   24
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              4112
_journal_page_last               4116
_journal_paper_doi               10.1039/c4ob00512k
_journal_volume                  12
_journal_year                    2014
_chemical_formula_sum            'C38 H42 N2 O6 Rh2'
_chemical_formula_weight         828.56
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            9
_cell_length_a                   34.5934(6)
_cell_length_b                   34.5934(6)
_cell_length_c                   8.2566(3)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.60
_cell_measurement_theta_min      2.36
_cell_volume                     8556.9(4)
_computing_cell_refinement       'Bruker APEXII'
_computing_data_collection       'Bruker APEXII'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            30007
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.913
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SAINT ver 7.34; Bruker SADABS'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             3798
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.250
_refine_diff_density_min         -1.203
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       0.00012(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         4313
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0649
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1240P)²+175.6431P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1959
_refine_ls_wR_factor_ref         0.2312
_reflns_number_gt                3305
_reflns_number_total             4313
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ob00512k2.cif
_cod_data_source_block           lhw16
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7153891
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Rh1 Rh 0.358228(8) 0.145044(8) 0.76756(3) 0.03811(8) Uani 1 1 d .
O1 O 0.28681(12) 0.08007(11) 0.3737(4) 0.0706(10) Uani 1 1 d .
O2 O 0.49988(18) 0.1983(2) 0.5939(7) 0.148(3) Uani 1 1 d D
N1 N 0.33130(9) 0.14070(9) 0.5344(4) 0.0423(7) Uani 1 1 d .
C1 C 0.42950(11) 0.16355(12) 0.7198(5) 0.0488(10) Uani 1 1 d .
C2 C 0.42882(11) 0.18000(13) 0.8761(6) 0.0532(10) Uani 1 1 d .
C3 C 0.39688(11) 0.14273(13) 0.9736(5) 0.0510(10) Uani 1 1 d .
C4 C 0.38158(12) 0.10351(12) 0.8796(5) 0.0517(10) Uani 1 1 d .
C5 C 0.39909(12) 0.11585(13) 0.7220(5) 0.0497(10) Uani 1 1 d .
C6 C 0.45765(17) 0.22669(16) 0.9351(8) 0.0827(17) Uani 1 1 d .
H6A H 0.4855 0.2304 0.9728 0.124 Uiso 1 1 calc R
H6B H 0.4429 0.2325 1.0222 0.124 Uiso 1 1 calc R
H6C H 0.4630 0.2472 0.8481 0.124 Uiso 1 1 calc R
C7 C 0.38902(18) 0.1459(2) 1.1495(6) 0.0836(18) Uani 1 1 d .
H7A H 0.4115 0.1441 1.2117 0.125 Uiso 1 1 calc R
H7B H 0.3601 0.1217 1.1791 0.125 Uiso 1 1 calc R
H7C H 0.3903 0.1738 1.1708 0.125 Uiso 1 1 calc R
C8 C 0.35400(17) 0.05684(15) 0.9416(8) 0.0767(16) Uani 1 1 d .
H8A H 0.3732 0.0469 0.9855 0.115 Uiso 1 1 calc R
H8B H 0.3368 0.0375 0.8543 0.115 Uiso 1 1 calc R
H8C H 0.3342 0.0562 1.0246 0.115 Uiso 1 1 calc R
C9 C 0.39217(15) 0.08420(15) 0.5833(7) 0.0717(13) Uani 1 1 d .
H9A H 0.4145 0.0755 0.5882 0.108 Uiso 1 1 calc R
H9B H 0.3946 0.0989 0.4821 0.108 Uiso 1 1 calc R
H9C H 0.3631 0.0582 0.5919 0.108 Uiso 1 1 calc R
C10 C 0.45635(15) 0.1905(2) 0.5768(7) 0.0770(17) Uani 1 1 d .
H10A H 0.4433 0.1743 0.4772 0.092 Uiso 1 1 calc R
H10B H 0.4565 0.2186 0.5725 0.092 Uiso 1 1 calc R
C13 C 0.29602(12) 0.09812(11) 0.5067(5) 0.0479(9) Uani 1 1 d .
C14 C 0.27106(13) 0.07734(12) 0.6589(6) 0.0541(11) Uani 1 1 d .
C15 C 0.22789(15) 0.04062(14) 0.6600(7) 0.0659(14) Uani 1 1 d .
H15A H 0.2141 0.0265 0.5637 0.079 Uiso 1 1 calc R
C16 C 0.20581(17) 0.02550(16) 0.8058(8) 0.0780(18) Uani 1 1 d .
H16A H 0.1769 0.0013 0.8080 0.094 Uiso 1 1 calc R
C17 C 0.22670(16) 0.04632(16) 0.9485(7) 0.0744(16) Uani 1 1 d .
H17A H 0.2114 0.0366 1.0462 0.089 Uiso 1 1 calc R
C18 C 0.27029(15) 0.08156(14) 0.9468(6) 0.0601(13) Uani 1 1 d .
H18A H 0.2843 0.0946 1.0440 0.072 Uiso 1 1 calc R
C19 C 0.29352(11) 0.09779(11) 0.8003(5) 0.0433(9) Uani 1 1 d .
O3 O 0.5157(2) 0.2319(3) 0.3533(8) 0.218(3) Uani 1 1 d D
C11 C 0.52452(17) 0.2198(3) 0.4644(8) 0.197(6) Uani 1 1 d D
C12 C 0.5741(2) 0.2308(4) 0.5227(18) 0.265(10) Uani 1 1 d D
H12A H 0.5960 0.2510 0.4471 0.398 Uiso 1 1 calc R
H12B H 0.5752 0.2036 0.5272 0.398 Uiso 1 1 calc R
H12C H 0.5803 0.2443 0.6281 0.398 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C19 Rh1 N1 78.11(13) . .
C19 Rh1 C5 111.52(15) . .
N1 Rh1 C5 100.26(15) . .
C19 Rh1 N1 85.48(13) . 13_556
N1 Rh1 N1 81.24(13) . 13_556
C5 Rh1 N1 162.93(11) . 13_556
C19 Rh1 C4 92.05(14) . .
N1 Rh1 C4 129.57(15) . .
C5 Rh1 C4 38.06(16) . .
N1 Rh1 C4 147.90(14) 13_556 .
C19 Rh1 C3 108.40(15) . .
N1 Rh1 C3 164.07(15) . .
C5 Rh1 C3 63.90(16) . .
N1 Rh1 C3 113.32(14) 13_556 .
C4 Rh1 C3 37.85(16) . .
C19 Rh1 C1 149.88(16) . .
N1 Rh1 C1 104.00(14) . .
C5 Rh1 C1 38.37(14) . .
N1 Rh1 C1 124.63(12) 13_556 .
C4 Rh1 C1 63.04(14) . .
C3 Rh1 C1 62.90(15) . .
C19 Rh1 C2 145.94(16) . .
N1 Rh1 C2 135.11(13) . .
C5 Rh1 C2 62.49(15) . .
N1 Rh1 C2 104.41(14) 13_556 .
C4 Rh1 C2 62.20(14) . .
C3 Rh1 C2 37.65(14) . .
C1 Rh1 C2 36.26(16) . .
C11 O2 C10 110.7(6) . .
C13 N1 Rh1 110.4(2) . .
C13 N1 Rh1 111.4(3) . 13_556
Rh1 N1 Rh1 98.76(13) . 13_556
C2 C1 C5 107.3(3) . .
C2 C1 C10 126.6(4) . .
C5 C1 C10 126.0(4) . .
C2 C1 Rh1 73.6(2) . .
C5 C1 Rh1 66.7(2) . .
C10 C1 Rh1 124.3(3) . .
C1 C2 C3 107.9(3) . .
C1 C2 C6 126.6(4) . .
C3 C2 C6 125.5(4) . .
C1 C2 Rh1 70.1(2) . .
C3 C2 Rh1 67.2(2) . .
C6 C2 Rh1 131.0(4) . .
C4 C3 C2 107.5(4) . .
C4 C3 C7 127.5(4) . .
C2 C3 C7 124.1(4) . .
C4 C3 Rh1 70.5(2) . .
C2 C3 Rh1 75.2(2) . .
C7 C3 Rh1 128.1(4) . .
C5 C4 C3 108.5(3) . .
C5 C4 C8 126.1(4) . .
C3 C4 C8 125.3(4) . .
C5 C4 Rh1 69.7(3) . .
C3 C4 Rh1 71.6(2) . .
C8 C4 Rh1 127.7(3) . .
C4 C5 C1 108.3(3) . .
C4 C5 C9 126.1(4) . .
C1 C5 C9 125.1(4) . .
C4 C5 Rh1 72.3(3) . .
C1 C5 Rh1 74.9(3) . .
C9 C5 Rh1 124.7(3) . .
C2 C6 H6A 109.5 . .
C2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C3 C7 H7A 109.5 . .
C3 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C3 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C5 C9 H9A 109.5 . .
C5 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C5 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O2 C10 C1 108.3(5) . .
O2 C10 H10A 110.0 . .
C1 C10 H10A 110.0 . .
O2 C10 H10B 110.0 . .
C1 C10 H10B 110.0 . .
H10A C10 H10B 108.4 . .
O1 C13 N1 123.9(4) . .
O1 C13 C14 124.8(3) . .
N1 C13 C14 111.4(3) . .
C19 C14 C15 122.1(4) . .
C19 C14 C13 115.0(3) . .
C15 C14 C13 122.9(4) . .
C16 C15 C14 119.2(5) . .
C16 C15 H15A 120.4 . .
C14 C15 H15A 120.4 . .
C15 C16 C17 120.0(4) . .
C15 C16 H16A 120.0 . .
C17 C16 H16A 120.0 . .
C16 C17 C18 120.4(5) . .
C16 C17 H17A 119.8 . .
C18 C17 H17A 119.8 . .
C17 C18 C19 120.9(4) . .
C17 C18 H18A 119.6 . .
C19 C18 H18A 119.6 . .
C14 C19 C18 117.3(3) . .
C14 C19 Rh1 114.3(3) . .
C18 C19 Rh1 128.2(3) . .
O3 C11 O2 130.5(7) . .
O3 C11 C12 127.5(7) . .
O2 C11 C12 101.4(6) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C19 2.024(3) .
Rh1 N1 2.111(3) .
Rh1 C5 2.142(4) .
Rh1 N1 2.169(3) 13_556
Rh1 C4 2.176(4) .
Rh1 C3 2.190(4) .
Rh1 C1 2.251(4) .
Rh1 C2 2.297(4) .
O1 C13 1.224(5) .
O2 C11 1.337(6) .
O2 C10 1.397(8) .
N1 C13 1.383(4) .
N1 Rh1 2.169(3) 13_556
C1 C2 1.416(6) .
C1 C5 1.447(5) .
C1 C10 1.503(7) .
C2 C3 1.451(5) .
C2 C6 1.493(6) .
C3 C4 1.416(6) .
C3 C7 1.491(6) .
C4 C5 1.408(6) .
C4 C8 1.496(6) .
C5 C9 1.519(6) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C13 C14 1.490(6) .
C14 C19 1.385(6) .
C14 C15 1.395(5) .
C15 C16 1.381(8) .
C15 H15A 0.9300 .
C16 C17 1.381(9) .
C16 H16A 0.9300 .
C17 C18 1.386(6) .
C17 H17A 0.9300 .
C18 C19 1.405(6) .
C18 H18A 0.9300 .
O3 C11 1.113(7) .
C11 C12 1.632(8) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C19 Rh1 N1 C13 -29.7(3) . .
C5 Rh1 N1 C13 80.4(3) . .
N1 Rh1 N1 C13 -116.9(3) 13_556 .
C4 Rh1 N1 C13 53.0(3) . .
C3 Rh1 N1 C13 86.3(5) . .
C1 Rh1 N1 C13 119.5(3) . .
C2 Rh1 N1 C13 141.5(3) . .
C19 Rh1 N1 Rh1 87.19(15) . 13_556
C5 Rh1 N1 Rh1 -162.76(12) . 13_556
N1 Rh1 N1 Rh1 0.0 13_556 13_556
C4 Rh1 N1 Rh1 169.92(12) . 13_556
C3 Rh1 N1 Rh1 -156.9(4) . 13_556
C1 Rh1 N1 Rh1 -123.66(13) . 13_556
C2 Rh1 N1 Rh1 -101.7(2) . 13_556
C19 Rh1 C1 C2 -116.2(3) . .
N1 Rh1 C1 C2 153.5(2) . .
C5 Rh1 C1 C2 -117.6(4) . .
N1 Rh1 C1 C2 64.5(3) 13_556 .
C4 Rh1 C1 C2 -79.0(3) . .
C3 Rh1 C1 C2 -36.3(2) . .
C19 Rh1 C1 C5 1.5(4) . .
N1 Rh1 C1 C5 -88.9(2) . .
N1 Rh1 C1 C5 -177.8(2) 13_556 .
C4 Rh1 C1 C5 38.7(2) . .
C3 Rh1 C1 C5 81.4(3) . .
C2 Rh1 C1 C5 117.6(4) . .
C19 Rh1 C1 C10 120.3(4) . .
N1 Rh1 C1 C10 29.9(4) . .
C5 Rh1 C1 C10 118.8(5) . .
N1 Rh1 C1 C10 -59.0(4) 13_556 .
C4 Rh1 C1 C10 157.5(4) . .
C3 Rh1 C1 C10 -159.8(4) . .
C2 Rh1 C1 C10 -123.5(5) . .
C5 C1 C2 C3 -1.9(5) . .
C10 C1 C2 C3 177.5(4) . .
Rh1 C1 C2 C3 56.6(3) . .
C5 C1 C2 C6 174.6(5) . .
C10 C1 C2 C6 -5.9(8) . .
Rh1 C1 C2 C6 -126.9(5) . .
C5 C1 C2 Rh1 -58.5(3) . .
C10 C1 C2 Rh1 120.9(5) . .
C19 Rh1 C2 C1 126.5(3) . .
N1 Rh1 C2 C1 -37.9(3) . .
C5 Rh1 C2 C1 38.3(2) . .
N1 Rh1 C2 C1 -129.9(2) 13_556 .
C4 Rh1 C2 C1 81.5(3) . .
C3 Rh1 C2 C1 120.4(4) . .
C19 Rh1 C2 C3 6.1(4) . .
N1 Rh1 C2 C3 -158.3(2) . .
C5 Rh1 C2 C3 -82.1(3) . .
N1 Rh1 C2 C3 109.6(3) 13_556 .
C4 Rh1 C2 C3 -38.9(3) . .
C1 Rh1 C2 C3 -120.4(4) . .
C19 Rh1 C2 C6 -111.9(5) . .
N1 Rh1 C2 C6 83.7(5) . .
C5 Rh1 C2 C6 160.0(5) . .
N1 Rh1 C2 C6 -8.3(5) 13_556 .
C4 Rh1 C2 C6 -156.8(5) . .
C3 Rh1 C2 C6 -117.9(6) . .
C1 Rh1 C2 C6 121.7(6) . .
C1 C2 C3 C4 5.2(5) . .
C6 C2 C3 C4 -171.4(5) . .
Rh1 C2 C3 C4 63.6(3) . .
C1 C2 C3 C7 175.3(5) . .
C6 C2 C3 C7 -1.2(8) . .
Rh1 C2 C3 C7 -126.3(5) . .
C1 C2 C3 Rh1 -58.4(3) . .
C6 C2 C3 Rh1 125.0(5) . .
C19 Rh1 C3 C4 68.5(3) . .
N1 Rh1 C3 C4 -43.5(5) . .
C5 Rh1 C3 C4 -37.0(2) . .
N1 Rh1 C3 C4 161.5(2) 13_556 .
C1 Rh1 C3 C4 -80.1(2) . .
C2 Rh1 C3 C4 -115.1(4) . .
C19 Rh1 C3 C2 -176.4(3) . .
N1 Rh1 C3 C2 71.6(5) . .
C5 Rh1 C3 C2 78.1(3) . .
N1 Rh1 C3 C2 -83.4(3) 13_556 .
C4 Rh1 C3 C2 115.1(4) . .
C1 Rh1 C3 C2 34.9(3) . .
C19 Rh1 C3 C7 -54.4(4) . .
N1 Rh1 C3 C7 -166.4(4) . .
C5 Rh1 C3 C7 -160.0(4) . .
N1 Rh1 C3 C7 38.6(4) 13_556 .
C4 Rh1 C3 C7 -122.9(5) . .
C1 Rh1 C3 C7 156.9(5) . .
C2 Rh1 C3 C7 122.0(5) . .
C2 C3 C4 C5 -6.5(5) . .
C7 C3 C4 C5 -176.2(5) . .
Rh1 C3 C4 C5 60.2(3) . .
C2 C3 C4 C8 169.7(4) . .
C7 C3 C4 C8 0.0(8) . .
Rh1 C3 C4 C8 -123.6(5) . .
C2 C3 C4 Rh1 -66.7(3) . .
C7 C3 C4 Rh1 123.6(5) . .
C19 Rh1 C4 C5 123.3(2) . .
N1 Rh1 C4 C5 47.1(2) . .
N1 Rh1 C4 C5 -151.9(2) 13_556 .
C3 Rh1 C4 C5 -118.7(3) . .
C1 Rh1 C4 C5 -39.0(2) . .
C2 Rh1 C4 C5 -80.0(2) . .
C19 Rh1 C4 C3 -117.9(2) . .
N1 Rh1 C4 C3 165.82(19) . .
C5 Rh1 C4 C3 118.7(3) . .
N1 Rh1 C4 C3 -33.2(3) 13_556 .
C1 Rh1 C4 C3 79.7(2) . .
C2 Rh1 C4 C3 38.7(2) . .
C19 Rh1 C4 C8 2.9(5) . .
N1 Rh1 C4 C8 -73.4(5) . .
C5 Rh1 C4 C8 -120.5(5) . .
N1 Rh1 C4 C8 87.6(5) 13_556 .
C3 Rh1 C4 C8 120.8(5) . .
C1 Rh1 C4 C8 -159.5(5) . .
C2 Rh1 C4 C8 159.5(5) . .
C3 C4 C5 C1 5.4(5) . .
C8 C4 C5 C1 -170.8(4) . .
Rh1 C4 C5 C1 66.8(3) . .
C3 C4 C5 C9 178.2(4) . .
C8 C4 C5 C9 2.0(7) . .
Rh1 C4 C5 C9 -120.4(4) . .
C3 C4 C5 Rh1 -61.4(3) . .
C8 C4 C5 Rh1 122.4(4) . .
C2 C1 C5 C4 -2.1(5) . .
C10 C1 C5 C4 178.5(4) . .
Rh1 C1 C5 C4 -65.0(3) . .
C2 C1 C5 C9 -175.0(4) . .
C10 C1 C5 C9 5.6(7) . .
Rh1 C1 C5 C9 122.1(4) . .
C2 C1 C5 Rh1 62.9(3) . .
C10 C1 C5 Rh1 -116.5(5) . .
C19 Rh1 C5 C4 -63.8(2) . .
N1 Rh1 C5 C4 -144.98(19) . .
N1 Rh1 C5 C4 121.4(4) 13_556 .
C3 Rh1 C5 C4 36.8(2) . .
C1 Rh1 C5 C4 115.4(3) . .
C2 Rh1 C5 C4 79.2(2) . .
C19 Rh1 C5 C1 -179.2(2) . .
N1 Rh1 C5 C1 99.6(2) . .
N1 Rh1 C5 C1 6.1(6) 13_556 .
C4 Rh1 C5 C1 -115.4(3) . .
C3 Rh1 C5 C1 -78.6(2) . .
C2 Rh1 C5 C1 -36.2(2) . .
C19 Rh1 C5 C9 58.3(4) . .
N1 Rh1 C5 C9 -22.9(3) . .
N1 Rh1 C5 C9 -116.5(5) 13_556 .
C4 Rh1 C5 C9 122.1(4) . .
C3 Rh1 C5 C9 158.9(4) . .
C1 Rh1 C5 C9 -122.5(4) . .
C2 Rh1 C5 C9 -158.7(4) . .
C11 O2 C10 C1 176.1(6) . .
C2 C1 C10 O2 80.6(7) . .
C5 C1 C10 O2 -100.0(6) . .
Rh1 C1 C10 O2 175.4(4) . .
Rh1 N1 C13 O1 -147.0(4) . .
Rh1 N1 C13 O1 104.2(5) 13_556 .
Rh1 N1 C13 C14 32.8(4) . .
Rh1 N1 C13 C14 -75.9(4) 13_556 .
O1 C13 C14 C19 163.1(5) . .
N1 C13 C14 C19 -16.8(6) . .
O1 C13 C14 C15 -18.2(8) . .
N1 C13 C14 C15 161.9(4) . .
C19 C14 C15 C16 3.5(8) . .
C13 C14 C15 C16 -175.1(5) . .
C14 C15 C16 C17 -0.9(9) . .
C15 C16 C17 C18 -1.9(9) . .
C16 C17 C18 C19 2.2(9) . .
C15 C14 C19 C18 -3.1(7) . .
C13 C14 C19 C18 175.5(4) . .
C15 C14 C19 Rh1 172.5(4) . .
C13 C14 C19 Rh1 -8.8(5) . .
C17 C18 C19 C14 0.3(7) . .
C17 C18 C19 Rh1 -174.7(4) . .
N1 Rh1 C19 C14 20.5(3) . .
C5 Rh1 C19 C14 -76.0(4) . .
N1 Rh1 C19 C14 102.5(3) 13_556 .
C4 Rh1 C19 C14 -109.6(3) . .
C3 Rh1 C19 C14 -144.4(3) . .
C1 Rh1 C19 C14 -76.9(5) . .
C2 Rh1 C19 C14 -148.3(3) . .
N1 Rh1 C19 C18 -164.4(4) . .
C5 Rh1 C19 C18 99.2(4) . .
N1 Rh1 C19 C18 -82.4(4) 13_556 .
C4 Rh1 C19 C18 65.5(4) . .
C3 Rh1 C19 C18 30.7(5) . .
C1 Rh1 C19 C18 98.2(5) . .
C2 Rh1 C19 C18 26.8(6) . .
C10 O2 C11 O3 1.1(15) . .
C10 O2 C11 C12 172.7(8) . .
