#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/64/1516449.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_1516449
loop_
_publ_author_name
'Jiménez, M. Victoria'
'Pérez-Torrente, Jesús J.'
'Bartolomé, M. Isabel'
'Vispe, Eugenio'
'Lahoz, Fernando J.'
'Oro, Luis A.'
_publ_section_title
;
 Cationic Rhodium Complexes with Hemilabile Phosphine Ligands as
 Polymerization Catalyst for High Molecular Weight Stereoregular
 Poly(phenylacetylene)
;
_journal_issue                   21
_journal_name_full               Macromolecules
_journal_page_first              8146
_journal_paper_doi               10.1021/ma901549g
_journal_volume                  42
_journal_year                    2009
_chemical_formula_moiety         'C25 H34 N P Rh,B F4,0.5(C4 H8 O)'
_chemical_formula_sum            'C27 H38 B F4 N O0.5 P Rh'
_chemical_formula_weight         605.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   calculated
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.365(1)
_cell_angle_beta                 107.922(1)
_cell_angle_gamma                95.181(1)
_cell_formula_units_Z            2
_cell_length_a                   9.4341(6)
_cell_length_b                   9.8954(6)
_cell_length_c                   14.835(1)
_cell_measurement_reflns_used    5667
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.75
_cell_measurement_theta_min      2.28
_cell_volume                     1308.84(15)
_computing_cell_refinement       'SAINT+ v. 6.45 (Bruker AXS, 2003)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ v. 6.45 (Bruker AXS, 2003)'
_computing_molecular_graphics    'XP program, SHELXTL v6.12, Bruker2000'
_computing_publication_material  'XCIF program, SHELXTLv6.12, BrukerAXS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15771
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.761
_exptl_absorpt_correction_T_max  0.9086
_exptl_absorpt_correction_T_min  0.8757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS: Area-Detector Absorption Correction. (1996)  Bruker-AXS 
 within SAINT+ package, v. 6.45.                    
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.129
_refine_diff_density_max         1.251
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         6202
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.094
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0470P)²+2.3598P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.0968
_reflns_number_gt                5631
_reflns_number_total             6202
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma901549g_si_002.cif
_cod_data_source_block           compound_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/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_cell_volume        1308.84(14)
_cod_database_code               1516449
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
Rh1 Rh 0.44412(3) 0.34275(2) 0.213986(16) 0.01684(8) Uani 1 1 d .
P1 P 0.47686(8) 0.20969(8) 0.33975(5) 0.01578(15) Uani 1 1 d .
N1 N 0.6123(3) 0.2348(3) 0.16568(19) 0.0227(6) Uani 1 1 d .
C1 C 0.5041(3) 0.0351(3) 0.3109(2) 0.0202(6) Uani 1 1 d .
H1A H 0.5249 -0.0154 0.3691 0.024 Uiso 1 1 calc R
H1B H 0.4110 -0.0101 0.2642 0.024 Uiso 1 1 calc R
C2 C 0.6339(4) 0.0301(3) 0.2699(2) 0.0236(6) Uani 1 1 d .
H2A H 0.7238 0.0834 0.3145 0.028 Uiso 1 1 calc R
H2B H 0.6562 -0.0654 0.2662 0.028 Uiso 1 1 calc R
C3 C 0.6064(4) 0.0839(3) 0.1727(2) 0.0263(7) Uani 1 1 d .
H3A H 0.6811 0.0504 0.1452 0.032 Uiso 1 1 calc R
H3B H 0.5064 0.0427 0.1319 0.032 Uiso 1 1 calc R
C4 C 0.7626(4) 0.2999(4) 0.2245(3) 0.0306(8) Uani 1 1 d .
H4A H 0.8404 0.2564 0.2067 0.046 Uiso 1 1 calc R
H4B H 0.7750 0.2892 0.2918 0.046 Uiso 1 1 calc R
H4C H 0.7714 0.3969 0.2138 0.046 Uiso 1 1 calc R
C5 C 0.6021(5) 0.2534(4) 0.0644(3) 0.0351(9) Uani 1 1 d .
H5A H 0.6072 0.3507 0.0541 0.053 Uiso 1 1 calc R
H5B H 0.5070 0.2071 0.0225 0.053 Uiso 1 1 calc R
H5C H 0.6856 0.2147 0.0502 0.053 Uiso 1 1 calc R
C6 C 0.6400(3) 0.2690(3) 0.4416(2) 0.0191(6) Uani 1 1 d .
C7 C 0.7107(4) 0.4002(3) 0.4471(2) 0.0237(6) Uani 1 1 d .
H7 H 0.6759 0.4573 0.3968 0.028 Uiso 1 1 calc R
C8 C 0.8321(4) 0.4485(3) 0.5260(3) 0.0289(7) Uani 1 1 d .
H8 H 0.8798 0.5381 0.5291 0.035 Uiso 1 1 calc R
C9 C 0.8833(4) 0.3666(4) 0.5995(3) 0.0288(7) Uani 1 1 d .
H9 H 0.9656 0.4001 0.6535 0.035 Uiso 1 1 calc R
C10 C 0.8152(4) 0.2362(4) 0.5947(2) 0.0270(7) Uani 1 1 d .
H10 H 0.8513 0.1798 0.6453 0.032 Uiso 1 1 calc R
C11 C 0.6946(4) 0.1867(3) 0.5166(2) 0.0220(6) Uani 1 1 d .
H11 H 0.6485 0.0965 0.5139 0.026 Uiso 1 1 calc R
C12 C 0.3245(3) 0.1835(3) 0.3913(2) 0.0191(6) Uani 1 1 d .
C13 C 0.3364(4) 0.2370(3) 0.4820(2) 0.0245(7) Uani 1 1 d .
H13 H 0.4264 0.2886 0.5199 0.029 Uiso 1 1 calc R
C14 C 0.2155(5) 0.2144(4) 0.5170(3) 0.0342(8) Uani 1 1 d .
H14 H 0.2240 0.2493 0.5793 0.041 Uiso 1 1 calc R
C15 C 0.0832(4) 0.1414(4) 0.4612(3) 0.0383(10) Uani 1 1 d .
H15 H 0.0005 0.1283 0.4848 0.046 Uiso 1 1 calc R
C16 C 0.0708(4) 0.0878(4) 0.3718(3) 0.0344(8) Uani 1 1 d .
H16 H -0.0198 0.0368 0.3341 0.041 Uiso 1 1 calc R
C17 C 0.1917(4) 0.1084(3) 0.3365(3) 0.0258(7) Uani 1 1 d .
H17 H 0.1833 0.0710 0.2749 0.031 Uiso 1 1 calc R
C18 C 0.3682(4) 0.4925(3) 0.2905(2) 0.0295(8) Uani 1 1 d .
H18 H 0.3906 0.4779 0.3595 0.035 Uiso 1 1 calc R
C19 C 0.2441(4) 0.4092(4) 0.2321(2) 0.0278(7) Uani 1 1 d .
H19 H 0.1958 0.3462 0.2678 0.033 Uiso 1 1 calc R
C20 C 0.1345(5) 0.4533(5) 0.1430(3) 0.0438(11) Uani 1 1 d .
H20A H 0.0374 0.3968 0.1304 0.053 Uiso 1 1 calc R
H20B H 0.1178 0.5488 0.1550 0.053 Uiso 1 1 calc R
C21 C 0.1817(5) 0.4435(6) 0.0566(3) 0.0489(12) Uani 1 1 d .
H21A H 0.1546 0.5248 0.0210 0.059 Uiso 1 1 calc R
H21B H 0.1237 0.3630 0.0157 0.059 Uiso 1 1 calc R
C22 C 0.3458(4) 0.4325(4) 0.0734(2) 0.0268(7) Uani 1 1 d .
H22 H 0.3680 0.3858 0.0190 0.032 Uiso 1 1 calc R
C23 C 0.4606(5) 0.5233(4) 0.1282(2) 0.0313(8) Uani 1 1 d .
H23 H 0.5513 0.5324 0.1065 0.038 Uiso 1 1 calc R
C24 C 0.4332(8) 0.6518(4) 0.1767(4) 0.0620(16) Uani 1 1 d .
H24A H 0.5163 0.7233 0.1818 0.074 Uiso 1 1 calc R
H24B H 0.3395 0.6840 0.1366 0.074 Uiso 1 1 calc R
C25 C 0.4212(7) 0.6332(4) 0.2715(3) 0.0531(13) Uani 1 1 d .
H25A H 0.3518 0.6963 0.2830 0.064 Uiso 1 1 calc R
H25B H 0.5209 0.6609 0.3185 0.064 Uiso 1 1 calc R
B1 B 0.8428(5) 0.7483(3) 0.1868(3) 0.0426(12) Uani 1 1 d D
F1 F 0.7274(3) 0.7968(3) 0.11485(16) 0.0542(7) Uani 1 1 d .
F2A F 0.8390(6) 0.7805(5) 0.2740(2) 0.074(2) Uani 0.717(7) 1 d PD
F3A F 0.8386(4) 0.6129(3) 0.1652(3) 0.0341(10) Uani 0.717(7) 1 d PD
F4A F 0.9899(4) 0.8026(5) 0.1829(3) 0.0654(17) Uani 0.717(7) 1 d PD
F2B F 0.7635(9) 0.7038(9) 0.2519(6) 0.044(3) Uani 0.283(7) 1 d PDU
F3B F 0.8992(14) 0.6430(8) 0.1600(9) 0.053(4) Uani 0.283(7) 1 d PD
F4B F 0.9242(9) 0.8634(6) 0.2231(6) 0.044(3) Uani 0.283(7) 1 d PD
C51 C 0.2069(11) 0.9490(9) 0.0989(8) 0.061(3) Uani 0.50 1 d PD
C52 C 0.0017(10) 1.0710(10) 0.0608(9) 0.061(3) Uani 0.50 1 d PD
O1 O 0.1524(12) 1.0647(14) 0.0632(8) 0.138(5) Uani 0.50 1 d PD
C53A C 0.040(15) 0.966(6) -0.005(4) 0.13(5) Uiso 0.25 1 d PD
C53B C -0.0450(19) 0.9304(15) 0.0044(14) 0.049(4) Uiso 0.25 1 d PD
C54A C 0.0766(16) 0.8450(16) 0.0568(13) 0.043(4) Uiso 0.25 1 d PD
C54B C 0.1014(18) 0.872(2) 0.0022(12) 0.063(5) Uiso 0.25 1 d PD
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
O O 0.0106 0.0060 '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
C18 Rh1 C19 38.08(15) . .
C18 Rh1 C23 79.89(13) . .
C19 Rh1 C23 88.86(13) . .
C18 Rh1 C22 93.01(13) . .
C19 Rh1 C22 79.36(12) . .
C23 Rh1 C22 35.16(14) . .
C18 Rh1 N1 156.74(13) . .
C19 Rh1 N1 165.11(13) . .
C23 Rh1 N1 93.77(12) . .
C22 Rh1 N1 94.42(11) . .
C18 Rh1 P1 89.20(9) . .
C19 Rh1 P1 91.98(9) . .
C23 Rh1 P1 161.13(10) . .
C22 Rh1 P1 162.58(10) . .
N1 Rh1 P1 90.24(7) . .
C1 P1 C6 104.56(14) . .
C1 P1 C12 101.52(14) . .
C6 P1 C12 103.77(14) . .
C1 P1 Rh1 113.16(10) . .
C6 P1 Rh1 114.01(10) . .
C12 P1 Rh1 118.17(10) . .
C4 N1 C5 106.5(3) . .
C4 N1 C3 109.2(3) . .
C5 N1 C3 104.3(3) . .
C4 N1 Rh1 106.0(2) . .
C5 N1 Rh1 113.4(2) . .
C3 N1 Rh1 117.00(19) . .
C2 C1 P1 111.4(2) . .
C3 C2 C1 115.1(3) . .
N1 C3 C2 118.1(3) . .
C7 C6 C11 118.5(3) . .
C7 C6 P1 119.9(2) . .
C11 C6 P1 121.6(2) . .
C6 C7 C8 120.5(3) . .
C9 C8 C7 120.2(3) . .
C10 C9 C8 119.9(3) . .
C9 C10 C11 120.5(3) . .
C10 C11 C6 120.3(3) . .
C17 C12 C13 119.4(3) . .
C17 C12 P1 118.1(2) . .
C13 C12 P1 122.5(2) . .
C12 C13 C14 119.7(3) . .
C15 C14 C13 120.2(4) . .
C16 C15 C14 120.4(3) . .
C15 C16 C17 119.9(4) . .
C12 C17 C16 120.4(3) . .
C19 C18 C25 126.0(4) . .
C19 C18 Rh1 71.30(18) . .
C25 C18 Rh1 110.6(2) . .
C18 C19 C20 124.1(3) . .
C18 C19 Rh1 70.62(19) . .
C20 C19 Rh1 115.0(2) . .
C21 C20 C19 115.2(3) . .
C20 C21 C22 115.8(3) . .
C23 C22 C21 125.5(4) . .
C23 C22 Rh1 72.27(19) . .
C21 C22 Rh1 109.5(2) . .
C22 C23 C24 122.0(4) . .
C22 C23 Rh1 72.6(2) . .
C24 C23 Rh1 110.8(2) . .
C25 C24 C23 113.5(4) . .
C24 C25 C18 116.8(3) . .
F4B B1 F3B 122.6(5) . .
F4B B1 F2A 68.2(4) . .
F3B B1 F2A 126.5(6) . .
F4B B1 F3A 147.7(5) . .
F2A B1 F3A 114.7(4) . .
F4B B1 F1 99.8(4) . .
F3B B1 F1 114.9(6) . .
F2A B1 F1 113.5(3) . .
F3A B1 F1 107.1(3) . .
F4B B1 F2B 108.0(4) . .
F3B B1 F2B 107.9(4) . .
F3A B1 F2B 84.1(4) . .
F1 B1 F2B 101.3(4) . .
F2A B1 F4A 107.1(3) . .
F3A B1 F4A 103.0(3) . .
F1 B1 F4A 111.0(3) . .
O1 C51 C54A 102.3(12) . .
O1 C51 C54B 86.6(12) . .
O1 C51 C53A 51.7(19) . .
C54A C51 C53A 53(3) . .
C53B C52 C54B 77.6(12) 2_575 2_575
C53A C52 O1 98(8) 2_575 .
C53B C52 O1 54.0(10) 2_575 .
C54B C52 O1 126.7(13) 2_575 .
O1 C52 C53A 60(5) . .
C53B C52 C53B 69.8(15) 2_575 .
C54B C52 C53B 92.4(13) 2_575 .
O1 C52 C53B 90.5(11) . .
C53A C52 C54A 51(2) 2_575 2_575
O1 C52 C54A 100.7(9) . 2_575
C53A C52 C54A 81.9(17) . 2_575
C53B O1 C51 125.5(15) 2_575 .
C53B O1 C52 51.9(11) 2_575 .
C51 O1 C52 112.5(10) . .
C51 O1 C53A 82.1(19) . .
C52 O1 C53A 64(3) . .
C51 O1 C53A 110.2(17) . 2_575
C52 C53A C53A 104(10) 2_575 2_575
C52 C53A O1 152(9) 2_575 .
C53A C53A O1 84(10) 2_575 .
C52 C53A C54A 104(5) 2_575 .
C53A C53A C54A 120(7) 2_575 .
O1 C53A C54A 94(5) . .
C52 C53A C52 136(10) 2_575 .
O1 C53A C52 56(2) . .
C54A C53A C52 102.7(14) . .
C52 C53A O1 54(8) 2_575 2_575
C53A C53A O1 57(10) 2_575 2_575
O1 C53A O1 141(2) . 2_575
C54A C53A O1 104(6) . 2_575
C52 C53A O1 86(5) . 2_575
C52 C53A C51 139(5) 2_575 .
C53A C53A C51 117(9) 2_575 .
O1 C53A C51 46(3) . .
C54A C53A C51 51(2) . .
C52 C53A C51 85(4) . .
O1 C53A C51 150(4) 2_575 .
C52 C53B O1 74.1(13) 2_575 2_575
C52 C53B C52 110.2(15) 2_575 .
O1 C53B C52 110.3(14) 2_575 .
C52 C53B C54B 55.6(11) 2_575 .
O1 C53B C54B 125.0(15) 2_575 .
C52 C53B C54B 107.0(12) . .
C52 C53B C53B 66.7(15) 2_575 2_575
O1 C53B C53B 98(2) 2_575 2_575
C54B C53B C53B 82.6(16) . 2_575
C51 C54A C52 96.2(10) . 2_575
C52 C54B C53B 46.9(11) 2_575 .
C52 C54B C51 123.6(15) 2_575 .
C53B C54B C51 96.5(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C18 2.133(3) .
Rh1 C19 2.142(3) .
Rh1 C23 2.258(3) .
Rh1 C22 2.261(3) .
Rh1 N1 2.262(3) .
Rh1 P1 2.2872(8) .
P1 C1 1.822(3) .
P1 C6 1.824(3) .
P1 C12 1.828(3) .
N1 C4 1.488(4) .
N1 C5 1.496(4) .
N1 C3 1.499(4) .
C1 C2 1.530(4) .
C2 C3 1.513(5) .
C6 C7 1.393(4) .
C6 C11 1.401(4) .
C7 C8 1.392(5) .
C8 C9 1.378(5) .
C9 C10 1.377(5) .
C10 C11 1.385(5) .
C12 C17 1.392(5) .
C12 C13 1.393(4) .
C13 C14 1.396(5) .
C14 C15 1.385(6) .
C15 C16 1.375(6) .
C16 C17 1.396(5) .
C18 C19 1.394(5) .
C18 C25 1.504(5) .
C19 C20 1.515(5) .
C20 C21 1.483(5) .
C21 C22 1.505(5) .
C22 C23 1.365(5) .
C23 C24 1.517(5) .
C24 C25 1.463(6) .
B1 F4B 1.310(5) .
B1 F3B 1.312(5) .
B1 F2A 1.332(4) .
B1 F3A 1.359(4) .
B1 F1 1.405(5) .
B1 F2B 1.451(5) .
B1 F4A 1.461(4) .
C51 O1 1.358(9) .
C51 C54A 1.486(10) .
C51 C54B 1.589(10) .
C52 C53A 0.85(8) 2_575
C52 C53B 1.16(2) 2_575
C52 O1 1.418(9) .
C52 C53A 1.544(11) .
C52 C53B 1.548(10) .
O1 C53B 1.19(2) 2_575
O1 C53A 1.48(11) .
O1 C53A 1.75(14) 2_575
C53A C52 0.85(8) 2_575
C53A C54A 1.541(11) .
C53A O1 1.75(14) 2_575
C53B C52 1.16(2) 2_575
C53B O1 1.19(2) 2_575
C53B C54B 1.553(11) .
C54B C52 1.31(2) 2_575
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
C18 Rh1 P1 C1 166.44(16)
C19 Rh1 P1 C1 128.45(15)
C23 Rh1 P1 C1 -139.3(3)
C22 Rh1 P1 C1 68.9(3)
N1 Rh1 P1 C1 -36.82(13)
C18 Rh1 P1 C6 -74.23(15)
C19 Rh1 P1 C6 -112.21(15)
C23 Rh1 P1 C6 -20.0(3)
C22 Rh1 P1 C6 -171.8(3)
N1 Rh1 P1 C6 82.51(13)
C18 Rh1 P1 C12 48.05(16)
C19 Rh1 P1 C12 10.07(16)
C23 Rh1 P1 C12 102.3(3)
C22 Rh1 P1 C12 -49.5(3)
N1 Rh1 P1 C12 -155.21(14)
C18 Rh1 N1 C4 6.9(4)
C19 Rh1 N1 C4 179.7(4)
C23 Rh1 N1 C4 79.9(2)
C22 Rh1 N1 C4 115.1(2)
P1 Rh1 N1 C4 -81.7(2)
C18 Rh1 N1 C5 -109.6(3)
C19 Rh1 N1 C5 63.2(5)
C23 Rh1 N1 C5 -36.6(3)
C22 Rh1 N1 C5 -1.3(3)
P1 Rh1 N1 C5 161.9(2)
C18 Rh1 N1 C3 128.9(3)
C19 Rh1 N1 C3 -58.3(5)
C23 Rh1 N1 C3 -158.1(2)
C22 Rh1 N1 C3 -122.8(2)
P1 Rh1 N1 C3 40.4(2)
C6 P1 C1 C2 -69.7(2)
C12 P1 C1 C2 -177.4(2)
Rh1 P1 C1 C2 54.9(2)
P1 C1 C2 C3 -68.3(3)
C4 N1 C3 C2 58.9(4)
C5 N1 C3 C2 172.4(3)
Rh1 N1 C3 C2 -61.4(3)
C1 C2 C3 N1 74.9(4)
C1 P1 C6 C7 139.0(3)
C12 P1 C6 C7 -115.0(3)
Rh1 P1 C6 C7 14.9(3)
C1 P1 C6 C11 -42.9(3)
C12 P1 C6 C11 63.2(3)
Rh1 P1 C6 C11 -167.0(2)
C11 C6 C7 C8 -0.5(5)
P1 C6 C7 C8 177.7(3)
C6 C7 C8 C9 -0.2(5)
C7 C8 C9 C10 0.6(5)
C8 C9 C10 C11 -0.5(5)
C9 C10 C11 C6 -0.2(5)
C7 C6 C11 C10 0.6(5)
P1 C6 C11 C10 -177.6(2)
C1 P1 C12 C17 -56.9(3)
C6 P1 C12 C17 -165.2(2)
Rh1 P1 C12 C17 67.5(3)
C1 P1 C12 C13 123.9(3)
C6 P1 C12 C13 15.6(3)
Rh1 P1 C12 C13 -111.8(2)
C17 C12 C13 C14 0.2(5)
P1 C12 C13 C14 179.4(2)
C12 C13 C14 C15 -1.3(5)
C13 C14 C15 C16 1.5(5)
C14 C15 C16 C17 -0.8(5)
C13 C12 C17 C16 0.6(5)
P1 C12 C17 C16 -178.7(3)
C15 C16 C17 C12 -0.3(5)
C23 Rh1 C18 C19 101.2(2)
C22 Rh1 C18 C19 68.5(2)
N1 Rh1 C18 C19 177.0(2)
P1 Rh1 C18 C19 -94.23(18)
C19 Rh1 C18 C25 -122.4(4)
C23 Rh1 C18 C25 -21.2(3)
C22 Rh1 C18 C25 -54.0(3)
N1 Rh1 C18 C25 54.6(5)
P1 Rh1 C18 C25 143.3(3)
C25 C18 C19 C20 -5.3(5)
Rh1 C18 C19 C20 -107.6(3)
C25 C18 C19 Rh1 102.2(4)
C23 Rh1 C19 C18 -75.0(2)
C22 Rh1 C19 C18 -109.1(2)
N1 Rh1 C19 C18 -175.4(4)
P1 Rh1 C19 C18 86.17(18)
C18 Rh1 C19 C20 119.4(4)
C23 Rh1 C19 C20 44.5(3)
C22 Rh1 C19 C20 10.4(3)
N1 Rh1 C19 C20 -56.0(6)
P1 Rh1 C19 C20 -154.4(3)
C18 C19 C20 C21 82.9(5)
Rh1 C19 C20 C21 0.2(5)
C19 C20 C21 C22 -17.6(7)
C20 C21 C22 C23 -56.6(6)
C20 C21 C22 Rh1 25.1(5)
C18 Rh1 C22 C23 67.7(2)
C19 Rh1 C22 C23 103.4(2)
N1 Rh1 C22 C23 -90.3(2)
P1 Rh1 C22 C23 164.6(2)
C18 Rh1 C22 C21 -54.5(3)
C19 Rh1 C22 C21 -18.8(3)
C23 Rh1 C22 C21 -122.2(4)
N1 Rh1 C22 C21 147.5(3)
P1 Rh1 C22 C21 42.4(5)
C21 C22 C23 C24 -2.3(5)
Rh1 C22 C23 C24 -104.0(3)
C21 C22 C23 Rh1 101.7(3)
C18 Rh1 C23 C22 -110.2(2)
C19 Rh1 C23 C22 -73.0(2)
N1 Rh1 C23 C22 92.3(2)
P1 Rh1 C23 C22 -165.8(2)
C18 Rh1 C23 C24 8.1(4)
C19 Rh1 C23 C24 45.4(4)
C22 Rh1 C23 C24 118.4(4)
N1 Rh1 C23 C24 -149.3(4)
P1 Rh1 C23 C24 -47.4(5)
C22 C23 C24 C25 89.0(6)
Rh1 C23 C24 C25 7.1(6)
C23 C24 C25 C18 -26.8(8)
C19 C18 C25 C24 -47.9(7)
Rh1 C18 C25 C24 33.5(6)
F4B B1 F2A F2B 171.0(7)
F3B B1 F2A F2B -73.8(8)
F3A B1 F2A F2B -44.1(6)
F1 B1 F2A F2B 79.4(7)
F4A B1 F2A F2B -157.7(6)
F3B B1 F2A F4B 115.3(7)
F3A B1 F2A F4B 144.9(5)
F1 B1 F2A F4B -91.5(5)
F2B B1 F2A F4B -171.0(7)
F4A B1 F2A F4B 31.4(5)
F4B B1 F3A F3B -34.1(18)
F2A B1 F3A F3B -121.9(15)
F1 B1 F3A F3B 111.2(15)
F2B B1 F3A F3B -148.8(15)
F4A B1 F3A F3B -6.0(16)
F3B B1 F4A F4B -163.6(8)
F2A B1 F4A F4B -39.5(6)
F3A B1 F4A F4B -160.7(6)
F1 B1 F4A F4B 85.0(5)
F2B B1 F4A F4B -63.4(8)
F4B B1 F4A F3B 163.6(8)
F2A B1 F4A F3B 124.2(7)
F3A B1 F4A F3B 2.9(7)
F1 B1 F4A F3B -111.4(7)
F2B B1 F4A F3B 100.3(8)
F4B F2A F2B B1 9.8(8)
F4B B1 F2B F2A -8.8(7)
F3B B1 F2B F2A 125.7(8)
F3A B1 F2B F2A 140.5(6)
F1 B1 F2B F2A -113.2(5)
F4A B1 F2B F2A 36.8(9)
B1 F3A F3B F4A 7.3(19)
F4B B1 F3B F3A 159.2(12)
F2A B1 F3B F3A 73.5(16)
F1 B1 F3B F3A -79.4(14)
F2B B1 F3B F3A 32.8(16)
F4A B1 F3B F3A 174.0(16)
F4B B1 F3B F4A -14.8(7)
F2A B1 F3B F4A -100.5(5)
F3A B1 F3B F4A -174.0(16)
F1 B1 F3B F4A 106.7(4)
F2B B1 F3B F4A -141.2(5)
F4B F4A F3B F3A 6(3)
B1 F4A F3B F3A -9(2)
F4B F4A F3B B1 14.4(7)
F3B F4A F4B B1 -12.6(6)
B1 F4A F4B F2A 37.2(4)
F3B F4A F4B F2A 24.6(8)
F3B B1 F4B F4A 18.9(9)
F2A B1 F4B F4A 139.1(5)
F3A B1 F4B F4A 37.1(10)
F1 B1 F4B F4A -109.3(4)
F2B B1 F4B F4A 145.3(5)
F3B B1 F4B F2A -120.3(8)
F3A B1 F4B F2A -102.1(8)
F1 B1 F4B F2A 111.5(3)
F2B B1 F4B F2A 6.1(5)
F4A B1 F4B F2A -139.1(5)
F2B F2A F4B F4A -55.2(11)
B1 F2A F4B F4A -43.6(5)
F2B F2A F4B B1 -11.7(9)
