#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:45:57 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224568 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/91/7049121.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_7049121
loop_
_publ_author_name
'Yi, Xiaofei'
'Liu, Bin'
'Chen, Kai'
'Chen, Wei'
'Chen, Wanzhi'
_publ_section_title
;
 Unbridged Rh(ii)-Rh(ii) complexes of N-heterocyclic carbenes and
 reactions with O₂ to form
 dirhodium(μ-η¹:η¹-O₂) complexes.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3835
_journal_page_last               3839
_journal_paper_doi               10.1039/c9dt00421a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety
'C70 H94 N12 O2 P2 Rh2, 4(F6 P), C4 H10 O, 2(C2 H3 N)'
_chemical_formula_sum            'C78 H110 F24 N14 O3 P6 Rh2'
_chemical_formula_weight         2139.43
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-02-20 deposited with the CCDC.    2019-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                104.336(8)
_cell_angle_beta                 111.184(9)
_cell_angle_gamma                106.435(10)
_cell_formula_units_Z            1
_cell_length_a                   13.1037(15)
_cell_length_b                   14.8822(17)
_cell_length_c                   15.3583(11)
_cell_measurement_reflns_used    5226
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1450
_cell_measurement_theta_min      2.8389
_cell_volume                     2465.1(6)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15616
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.845
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.528
_exptl_absorpt_correction_T_max  0.8569
_exptl_absorpt_correction_T_min  0.7845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            deep-yellow
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.460
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         8675
_refine_ls_number_restraints     140
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0719P)²+1.4606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1456
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7158
_reflns_number_total             8675
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00421a2.cif
_cod_data_source_block           160427_yxf160420_B
_cod_depositor_comments
'Adding full bibliography for 7049117--7049121.cif.'
_cod_original_cell_volume        2465.1(5)
_cod_database_code               7049121
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.786
_shelx_estimated_absorpt_t_max   0.858
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C38 C 0.1967(13) 0.1304(15) 0.3130(16) 0.129(6) Uani 0.5 1 d D U P
H38A H 0.177238 0.166496 0.270076 0.193 Uiso 0.5 1 calc R U P
H38B H 0.124572 0.075686 0.297929 0.193 Uiso 0.5 1 calc R U P
H38C H 0.251022 0.103188 0.301395 0.193 Uiso 0.5 1 calc R U P
C41 C 0.492(2) 0.417(2) 0.5762(15) 0.204(12) Uani 0.5 1 d D U P
H41A H 0.494672 0.446544 0.527732 0.306 Uiso 0.5 1 calc R U P
H41B H 0.565127 0.407660 0.605376 0.306 Uiso 0.5 1 calc R U P
H41C H 0.485372 0.461185 0.628833 0.306 Uiso 0.5 1 calc R U P
C40 C 0.386(3) 0.315(2) 0.524(3) 0.202(12) Uani 0.5 1 d D U P
H40A H 0.409874 0.269291 0.553837 0.243 Uiso 0.5 1 calc R U P
H40B H 0.323234 0.324057 0.539744 0.243 Uiso 0.5 1 calc R U P
Rh1 Rh 0.63239(2) 0.17614(2) 0.07578(2) 0.03066(12) Uani 1 1 d . . .
P1 P 0.76866(9) 0.34758(8) 0.12196(9) 0.0388(3) Uani 1 1 d . . .
P4 P 0.85633(18) 0.79000(17) 0.9893(2) 0.0932(6) Uani 1 1 d . . .
F10 F 0.8550(12) 0.8660(7) 1.0816(10) 0.124(3) Uani 0.5 1 d . U P
F11 F 0.9968(9) 0.8264(10) 1.0518(12) 0.136(4) Uani 0.5 1 d . U P
F7 F 0.907(3) 0.727(2) 0.957(3) 0.279(14) Uani 0.5 1 d . U P
F9 F 0.8370(11) 0.7207(7) 1.0404(8) 0.270(5) Uani 1 1 d . U .
F12 F 0.8981(10) 0.8750(8) 0.9509(9) 0.258(5) Uani 1 1 d . U .
F8 F 0.7200(9) 0.7267(12) 0.9391(14) 0.170(5) Uani 0.5 1 d . U P
O1 O 0.5116(2) 0.03813(19) 0.0468(2) 0.0390(6) Uani 1 1 d . . .
N6 N 0.4973(3) 0.1597(2) -0.0705(3) 0.0376(8) Uani 1 1 d . . .
N5 N 0.6146(3) 0.0900(3) -0.1180(3) 0.0418(8) Uani 1 1 d . . .
N4 N 0.7628(3) 0.0768(3) -0.0083(3) 0.0467(9) Uani 1 1 d . . .
N3 N 0.8233(3) 0.1086(3) 0.1683(3) 0.0495(10) Uani 1 1 d . . .
N2 N 0.7441(3) 0.1567(3) 0.2617(3) 0.0491(9) Uani 1 1 d . . .
N1 N 0.5934(3) 0.2122(2) 0.2062(3) 0.0408(8) Uani 1 1 d . . .
C10 C 0.6803(4) 0.1153(3) -0.0184(3) 0.0371(9) Uani 1 1 d . . .
C19 C 0.6945(4) 0.3839(4) -0.0611(4) 0.0571(13) Uani 1 1 d . . .
H19A H 0.628233 0.317246 -0.094332 0.069 Uiso 1 1 calc R U .
H19B H 0.668349 0.432618 -0.031340 0.069 Uiso 1 1 calc R U .
C30 C 0.9200(4) 0.3794(3) 0.2255(4) 0.0500(11) Uani 1 1 d . . .
H30 H 0.932997 0.316891 0.209875 0.060 Uiso 1 1 calc R U .
C13 C 0.5144(4) 0.1143(3) -0.1475(3) 0.0408(10) Uani 1 1 d . . .
C18 C 0.8018(4) 0.3828(3) 0.0237(4) 0.0457(10) Uani 1 1 d . . .
H18 H 0.863631 0.452708 0.058746 0.055 Uiso 1 1 calc R U .
C5 C 0.6604(4) 0.1902(3) 0.2806(3) 0.0495(11) Uani 1 1 d . . .
C9 C 0.8569(4) 0.0922(4) 0.0870(4) 0.0609(14) Uani 1 1 d . . .
H9A H 0.928560 0.150720 0.105738 0.073 Uiso 1 1 calc R U .
H9B H 0.875771 0.033176 0.078660 0.073 Uiso 1 1 calc R U .
C22 C 0.8865(5) 0.3490(4) -0.0992(5) 0.0676(15) Uani 1 1 d . . .
H22A H 0.949094 0.417619 -0.066171 0.081 Uiso 1 1 calc R U .
H22B H 0.916649 0.303635 -0.128249 0.081 Uiso 1 1 calc R U .
C24 C 0.7168(4) 0.4410(3) 0.1763(4) 0.0488(11) Uani 1 1 d . . .
H24 H 0.724040 0.435514 0.240354 0.059 Uiso 1 1 calc R U .
C25 C 0.5831(4) 0.4152(3) 0.1125(4) 0.0557(12) Uani 1 1 d . . .
H25A H 0.570595 0.423151 0.049128 0.067 Uiso 1 1 calc R U .
H25B H 0.535298 0.344797 0.096631 0.067 Uiso 1 1 calc R U .
C12 C 0.6578(5) 0.0344(4) -0.1717(4) 0.0595(13) Uani 1 1 d . . .
H12 H 0.628180 0.007725 -0.241736 0.071 Uiso 1 1 calc R U .
C23 C 0.8557(4) 0.3180(4) -0.0208(4) 0.0555(12) Uani 1 1 d . . .
H23A H 0.799211 0.247159 -0.052687 0.067 Uiso 1 1 calc R U .
H23B H 0.928097 0.324527 0.033509 0.067 Uiso 1 1 calc R U .
C14 C 0.4432(5) 0.0946(4) -0.2468(4) 0.0609(13) Uani 1 1 d . . .
H14 H 0.460179 0.065860 -0.298026 0.073 Uiso 1 1 calc R U .
C17 C 0.3991(4) 0.1793(3) -0.0936(4) 0.0480(11) Uani 1 1 d . . .
H17 H 0.382933 0.207205 -0.041498 0.058 Uiso 1 1 calc R U .
C1 C 0.5097(5) 0.2403(4) 0.2176(4) 0.0559(12) Uani 1 1 d . . .
H1 H 0.460069 0.252926 0.165518 0.067 Uiso 1 1 calc R U .
C11 C 0.7491(5) 0.0269(4) -0.1038(5) 0.0630(14) Uani 1 1 d . . .
H11 H 0.795575 -0.005912 -0.117680 0.076 Uiso 1 1 calc R U .
C8 C 0.7460(3) 0.1497(3) 0.1730(3) 0.0401(10) Uani 1 1 d . . .
C16 C 0.3216(5) 0.1596(4) -0.1912(5) 0.0676(15) Uani 1 1 d . . .
H16 H 0.254002 0.173687 -0.205186 0.081 Uiso 1 1 calc R U .
C4 C 0.6488(6) 0.1994(5) 0.3677(4) 0.0766(17) Uani 1 1 d . . .
H4 H 0.697281 0.184571 0.418364 0.092 Uiso 1 1 calc R U .
C20 C 0.7258(6) 0.4119(5) -0.1397(5) 0.0739(16) Uani 1 1 d . . .
H20A H 0.654048 0.405699 -0.194455 0.089 Uiso 1 1 calc R U .
H20B H 0.783617 0.482249 -0.108747 0.089 Uiso 1 1 calc R U .
C31 C 1.0307(4) 0.4628(4) 0.2370(5) 0.0688(15) Uani 1 1 d . . .
H31A H 1.030954 0.450100 0.172013 0.083 Uiso 1 1 calc R U .
H31B H 1.028620 0.528738 0.260307 0.083 Uiso 1 1 calc R U .
C21 C 0.7774(6) 0.3448(5) -0.1824(5) 0.0769(17) Uani 1 1 d . . .
H21A H 0.799351 0.366681 -0.230041 0.092 Uiso 1 1 calc R U .
H21B H 0.717147 0.275135 -0.218873 0.092 Uiso 1 1 calc R U .
C26 C 0.5430(6) 0.4841(4) 0.1696(6) 0.0792(18) Uani 1 1 d . . .
H26A H 0.550611 0.472790 0.230727 0.095 Uiso 1 1 calc R U .
H26B H 0.459051 0.467602 0.127698 0.095 Uiso 1 1 calc R U .
C7 C 0.8728(5) 0.0920(4) 0.2564(5) 0.0686(16) Uani 1 1 d . . .
H7 H 0.929791 0.064960 0.272058 0.082 Uiso 1 1 calc R U .
C15 C 0.3457(5) 0.1190(4) -0.2678(4) 0.0741(17) Uani 1 1 d . . .
H15 H 0.296050 0.107912 -0.334114 0.089 Uiso 1 1 calc R U .
C29 C 0.7933(5) 0.5529(3) 0.2051(5) 0.0703(16) Uani 1 1 d . . .
H29A H 0.876887 0.569465 0.248215 0.084 Uiso 1 1 calc R U .
H29B H 0.787303 0.564446 0.144285 0.084 Uiso 1 1 calc R U .
C2 C 0.4928(6) 0.2517(5) 0.3020(5) 0.0807(18) Uani 1 1 d . . .
H2 H 0.434424 0.272983 0.307761 0.097 Uiso 1 1 calc R U .
C35 C 0.9225(5) 0.4011(4) 0.3289(4) 0.0620(14) Uani 1 1 d . . .
H35A H 0.920834 0.467082 0.353055 0.074 Uiso 1 1 calc R U .
H35B H 0.851518 0.350136 0.322028 0.074 Uiso 1 1 calc R U .
C6 C 0.8247(5) 0.1213(4) 0.3134(5) 0.0712(17) Uani 1 1 d . . .
H6 H 0.841320 0.118934 0.376804 0.085 Uiso 1 1 calc R U .
C28 C 0.7502(6) 0.6213(4) 0.2609(6) 0.091(2) Uani 1 1 d . . .
H28A H 0.762643 0.613654 0.324419 0.109 Uiso 1 1 calc R U .
H28B H 0.797416 0.691843 0.276710 0.109 Uiso 1 1 calc R U .
C33 C 1.1456(6) 0.4791(6) 0.4172(6) 0.106(3) Uani 1 1 d . . .
H33A H 1.216138 0.474786 0.463098 0.128 Uiso 1 1 calc R U .
H33B H 1.149808 0.546655 0.446291 0.128 Uiso 1 1 calc R U .
C34 C 1.0333(5) 0.3999(5) 0.4052(5) 0.089(2) Uani 1 1 d . . .
H34A H 1.033302 0.333015 0.382838 0.106 Uiso 1 1 calc R U .
H34B H 1.032763 0.414181 0.470162 0.106 Uiso 1 1 calc R U .
C3 C 0.5633(7) 0.2311(5) 0.3770(5) 0.092(2) Uani 1 1 d . . .
H3 H 0.553592 0.238567 0.435046 0.110 Uiso 1 1 calc R U .
C27 C 0.6177(6) 0.5952(5) 0.1977(7) 0.099(2) Uani 1 1 d . . .
H27A H 0.592285 0.638069 0.236033 0.119 Uiso 1 1 calc R U .
H27B H 0.605761 0.607922 0.136518 0.119 Uiso 1 1 calc R U .
C32 C 1.1443(5) 0.4621(6) 0.3141(6) 0.097(2) Uani 1 1 d . . .
H32A H 1.148006 0.397313 0.288292 0.116 Uiso 1 1 calc R U .
H32B H 1.214658 0.515245 0.322661 0.116 Uiso 1 1 calc R U .
P2 P 0.000000 0.000000 0.500000 0.0643(5) Uani 1 2 d S . P
F1 F 0.1146(3) -0.0232(4) 0.5145(3) 0.1109(14) Uani 1 1 d . U .
F2 F 0.0129(14) -0.0004(12) 0.6042(10) 0.104(4) Uani 0.5 1 d . U P
F3 F 0.0470(14) 0.1045(12) 0.4923(15) 0.151(6) Uani 0.5 1 d . U P
P3 P 0.500000 0.000000 0.500000 0.0929(8) Uani 1 2 d S . P
F5 F 0.4305(6) 0.0230(6) 0.4097(4) 0.180(3) Uani 1 1 d . U .
F4 F 0.5540(6) 0.1100(5) 0.5761(5) 0.191(3) Uani 1 1 d . U .
F6 F 0.3905(4) -0.0269(5) 0.5232(4) 0.158(2) Uani 1 1 d . U .
C37 C 0.1142(10) 0.8494(9) 0.3155(7) 0.154(4) Uani 1 1 d . . .
H37A H 0.035523 0.830340 0.262295 0.231 Uiso 1 1 calc R U .
H37B H 0.168244 0.847424 0.287075 0.231 Uiso 1 1 calc R U .
H37C H 0.142363 0.917123 0.363660 0.231 Uiso 1 1 calc R U .
N7 N 0.1034(9) 0.7256(7) 0.4058(8) 0.169(4) Uani 1 1 d . . .
C36 C 0.1089(8) 0.7798(8) 0.3655(8) 0.124(4) Uani 1 1 d . . .
O2 O 0.3457(12) 0.2761(11) 0.4423(9) 0.116(4) Uani 0.5 1 d . U P
C39 C 0.2513(18) 0.1973(16) 0.4153(18) 0.143(7) Uani 0.5 1 d D U P
H39A H 0.193118 0.219683 0.427424 0.172 Uiso 0.5 1 calc R U P
H39B H 0.272413 0.160360 0.457866 0.172 Uiso 0.5 1 calc R U P
F0AA F 0.750(2) 0.728(2) 0.8783(18) 0.255(10) Uani 0.5 1 d . U P
F1AA F 0.8677(18) 0.7210(14) 0.8999(11) 0.160(6) Uani 0.5 1 d . U P
F2AA F 0.7704(11) 0.8442(10) 0.9751(13) 0.155(4) Uani 0.5 1 d . U P
F3AA F 0.0574(12) 0.0550(13) 0.6206(10) 0.110(5) Uani 0.5 1 d . U P
F4AA F 0.0900(11) 0.1145(8) 0.5546(13) 0.133(5) Uani 0.5 1 d . U P
F5AA F 0.956(3) 0.867(2) 1.079(2) 0.285(11) Uani 0.5 1 d . U P
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'
F F 0.0171 0.0103 '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'
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'
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
C39 C38 H38A 109.5 . .
C39 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C39 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C40 C41 H41A 109.5 . .
C40 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C40 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O2 C40 C41 119(3) . .
O2 C40 H40A 107.6 . .
C41 C40 H40A 107.6 . .
O2 C40 H40B 107.6 . .
C41 C40 H40B 107.6 . .
H40A C40 H40B 107.0 . .
C8 Rh1 C10 86.56(19) . .
C8 Rh1 O1 85.79(14) . .
C10 Rh1 O1 91.36(13) . .
C8 Rh1 N6 160.67(16) . .
C10 Rh1 N6 77.02(16) . .
O1 Rh1 N6 84.50(11) . .
C8 Rh1 N1 77.27(17) . .
C10 Rh1 N1 161.40(15) . .
O1 Rh1 N1 78.48(11) . .
N6 Rh1 N1 116.87(13) . .
C8 Rh1 P1 94.77(12) . .
C10 Rh1 P1 94.57(11) . .
O1 Rh1 P1 174.07(8) . .
N6 Rh1 P1 96.62(8) . .
N1 Rh1 P1 95.87(9) . .
C24 P1 C18 106.5(2) . .
C24 P1 C30 105.0(2) . .
C18 P1 C30 104.0(2) . .
C24 P1 Rh1 110.61(14) . .
C18 P1 Rh1 119.11(15) . .
C30 P1 Rh1 110.54(14) . .
F7 P4 F5AA 102.0(17) . .
F7 P4 F9 80.0(14) . .
F5AA P4 F9 92.3(12) . .
F7 P4 F8 107.6(16) . .
F5AA P4 F8 143.7(16) . .
F9 P4 F8 73.1(8) . .
F7 P4 F2AA 155.1(16) . .
F5AA P4 F2AA 98.4(14) . .
F9 P4 F2AA 113.4(7) . .
F8 P4 F2AA 60.4(7) . .
F7 P4 F12 99.6(16) . .
F5AA P4 F12 78.4(11) . .
F9 P4 F12 170.3(7) . .
F8 P4 F12 115.9(8) . .
F2AA P4 F12 70.7(5) . .
F7 P4 F0AA 83.9(15) . .
F5AA P4 F0AA 164.3(15) . .
F9 P4 F0AA 103.2(11) . .
F8 P4 F0AA 42.7(8) . .
F2AA P4 F0AA 72.9(11) . .
F12 P4 F0AA 86.4(10) . .
F7 P4 F1AA 30.5(14) . .
F5AA P4 F1AA 123.8(16) . .
F9 P4 F1AA 100.1(9) . .
F8 P4 F1AA 91.9(9) . .
F2AA P4 F1AA 124.6(10) . .
F12 P4 F1AA 83.5(8) . .
F0AA P4 F1AA 56.9(10) . .
F7 P4 F11 62.6(13) . .
F5AA P4 F11 39.7(13) . .
F9 P4 F11 89.8(8) . .
F8 P4 F11 162.0(9) . .
F2AA P4 F11 134.6(7) . .
F12 P4 F11 81.5(7) . .
F0AA P4 F11 141.5(11) . .
F1AA P4 F11 85.4(9) . .
F7 P4 F10 148.0(15) . .
F5AA P4 F10 52.1(13) . .
F9 P4 F10 82.5(6) . .
F8 P4 F10 92.4(8) . .
F2AA P4 F10 56.9(6) . .
F12 P4 F10 93.4(6) . .
F0AA P4 F10 126.3(11) . .
F1AA P4 F10 175.5(8) . .
F11 P4 F10 90.9(7) . .
F5AA F10 F2AA 105.0(14) . .
F5AA F10 P4 57.0(12) . .
F2AA F10 P4 60.1(6) . .
F5AA F11 F7 114(2) . .
F5AA F11 P4 61.2(16) . .
F7 F11 P4 52.7(8) . .
F1AA F7 P4 88(2) . .
F1AA F7 F11 128(4) . .
P4 F7 F11 64.7(12) . .
F0AA F8 P4 70.4(14) . .
F0AA F8 F2AA 86(2) . .
P4 F8 F2AA 60.1(6) . .
O1 O1 Rh1 110.6(2) 2_655 .
C13 N6 C17 117.4(4) . .
C13 N6 Rh1 111.5(3) . .
C17 N6 Rh1 130.8(3) . .
C10 N5 C12 109.0(4) . .
C10 N5 C13 117.2(4) . .
C12 N5 C13 133.5(4) . .
C10 N4 C11 109.0(4) . .
C10 N4 C9 125.3(4) . .
C11 N4 C9 125.6(4) . .
C8 N3 C7 109.4(4) . .
C8 N3 C9 124.6(4) . .
C7 N3 C9 125.8(4) . .
C8 N2 C6 109.0(5) . .
C8 N2 C5 117.3(4) . .
C6 N2 C5 133.5(4) . .
C1 N1 C5 117.0(4) . .
C1 N1 Rh1 131.5(3) . .
C5 N1 Rh1 111.1(3) . .
N4 C10 N5 107.3(4) . .
N4 C10 Rh1 132.0(3) . .
N5 C10 Rh1 119.9(3) . .
C20 C19 C18 112.2(4) . .
C20 C19 H19A 109.2 . .
C18 C19 H19A 109.2 . .
C20 C19 H19B 109.2 . .
C18 C19 H19B 109.2 . .
H19A C19 H19B 107.9 . .
C35 C30 C31 108.7(4) . .
C35 C30 P1 112.4(3) . .
C31 C30 P1 118.7(3) . .
C35 C30 H30 105.3 . .
C31 C30 H30 105.3 . .
P1 C30 H30 105.3 . .
N6 C13 C14 123.7(4) . .
N6 C13 N5 114.2(4) . .
C14 C13 N5 122.1(4) . .
C23 C18 C19 110.8(4) . .
C23 C18 P1 112.2(3) . .
C19 C18 P1 114.4(3) . .
C23 C18 H18 106.3 . .
C19 C18 H18 106.3 . .
P1 C18 H18 106.3 . .
N1 C5 C4 123.1(5) . .
N1 C5 N2 114.0(4) . .
C4 C5 N2 122.9(5) . .
N4 C9 N3 112.4(4) . .
N4 C9 H9A 109.1 . .
N3 C9 H9A 109.1 . .
N4 C9 H9B 109.1 . .
N3 C9 H9B 109.1 . .
H9A C9 H9B 107.9 . .
C21 C22 C23 110.8(4) . .
C21 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
C29 C24 C25 110.2(4) . .
C29 C24 P1 115.8(3) . .
C25 C24 P1 113.8(3) . .
C29 C24 H24 105.3 . .
C25 C24 H24 105.3 . .
P1 C24 H24 105.3 . .
C26 C25 C24 110.6(4) . .
C26 C25 H25A 109.5 . .
C24 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 108.1 . .
C11 C12 N5 107.0(5) . .
C11 C12 H12 126.5 . .
N5 C12 H12 126.5 . .
C18 C23 C22 112.2(4) . .
C18 C23 H23A 109.2 . .
C22 C23 H23A 109.2 . .
C18 C23 H23B 109.2 . .
C22 C23 H23B 109.2 . .
H23A C23 H23B 107.9 . .
C13 C14 C15 117.4(5) . .
C13 C14 H14 121.3 . .
C15 C14 H14 121.3 . .
N6 C17 C16 122.4(5) . .
N6 C17 H17 118.8 . .
C16 C17 H17 118.8 . .
N1 C1 C2 123.5(5) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C12 C11 N4 107.7(4) . .
C12 C11 H11 126.1 . .
N4 C11 H11 126.1 . .
N3 C8 N2 106.5(4) . .
N3 C8 Rh1 132.7(4) . .
N2 C8 Rh1 120.0(3) . .
C15 C16 C17 118.8(5) . .
C15 C16 H16 120.6 . .
C17 C16 H16 120.6 . .
C3 C4 C5 117.7(6) . .
C3 C4 H4 121.2 . .
C5 C4 H4 121.2 . .
C21 C20 C19 111.9(5) . .
C21 C20 H20A 109.2 . .
C19 C20 H20A 109.2 . .
C21 C20 H20B 109.2 . .
C19 C20 H20B 109.2 . .
H20A C20 H20B 107.9 . .
C32 C31 C30 108.7(4) . .
C32 C31 H31A 109.9 . .
C30 C31 H31A 109.9 . .
C32 C31 H31B 109.9 . .
C30 C31 H31B 109.9 . .
H31A C31 H31B 108.3 . .
C20 C21 C22 110.9(5) . .
C20 C21 H21A 109.5 . .
C22 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 108.0 . .
C25 C26 C27 111.0(5) . .
C25 C26 H26A 109.4 . .
C27 C26 H26A 109.4 . .
C25 C26 H26B 109.4 . .
C27 C26 H26B 109.4 . .
H26A C26 H26B 108.0 . .
C6 C7 N3 107.7(4) . .
C6 C7 H7 126.2 . .
N3 C7 H7 126.2 . .
C16 C15 C14 120.1(5) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C28 C29 C24 110.0(5) . .
C28 C29 H29A 109.7 . .
C24 C29 H29A 109.7 . .
C28 C29 H29B 109.7 . .
C24 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
C3 C2 C1 118.3(6) . .
C3 C2 H2 120.8 . .
C1 C2 H2 120.8 . .
C34 C35 C30 111.3(5) . .
C34 C35 H35A 109.4 . .
C30 C35 H35A 109.4 . .
C34 C35 H35B 109.4 . .
C30 C35 H35B 109.4 . .
H35A C35 H35B 108.0 . .
C7 C6 N2 107.5(5) . .
C7 C6 H6 126.3 . .
N2 C6 H6 126.3 . .
C27 C28 C29 111.6(5) . .
C27 C28 H28A 109.3 . .
C29 C28 H28A 109.3 . .
C27 C28 H28B 109.3 . .
C29 C28 H28B 109.3 . .
H28A C28 H28B 108.0 . .
C34 C33 C32 110.4(6) . .
C34 C33 H33A 109.6 . .
C32 C33 H33A 109.6 . .
C34 C33 H33B 109.6 . .
C32 C33 H33B 109.6 . .
H33A C33 H33B 108.1 . .
C35 C34 C33 110.3(5) . .
C35 C34 H34A 109.6 . .
C33 C34 H34A 109.6 . .
C35 C34 H34B 109.6 . .
C33 C34 H34B 109.6 . .
H34A C34 H34B 108.1 . .
C2 C3 C4 120.4(6) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C26 C27 C28 109.9(5) . .
C26 C27 H27A 109.7 . .
C28 C27 H27A 109.7 . .
C26 C27 H27B 109.7 . .
C28 C27 H27B 109.7 . .
H27A C27 H27B 108.2 . .
C33 C32 C31 111.5(6) . .
C33 C32 H32A 109.3 . .
C31 C32 H32A 109.3 . .
C33 C32 H32B 109.3 . .
C31 C32 H32B 109.3 . .
H32A C32 H32B 108.0 . .
F2 P2 F2 180.0 2_556 .
F2 P2 F3 61.9(7) 2_556 .
F2 P2 F3 118.1(7) . .
F2 P2 F3 118.1(7) 2_556 2_556
F2 P2 F3 61.9(7) . 2_556
F3 P2 F3 180.0 . 2_556
F2 P2 F4AA 88.9(7) 2_556 2_556
F2 P2 F4AA 91.1(7) . 2_556
F3 P2 F4AA 147.8(6) . 2_556
F3 P2 F4AA 32.2(6) 2_556 2_556
F2 P2 F4AA 91.1(7) 2_556 .
F2 P2 F4AA 88.9(7) . .
F3 P2 F4AA 32.2(6) . .
F3 P2 F4AA 147.8(6) 2_556 .
F4AA P2 F4AA 180.0 2_556 .
F2 P2 F1 92.7(6) 2_556 2_556
F2 P2 F1 87.3(6) . 2_556
F3 P2 F1 82.6(6) . 2_556
F3 P2 F1 97.4(6) 2_556 2_556
F4AA P2 F1 85.7(5) 2_556 2_556
F4AA P2 F1 94.3(5) . 2_556
F2 P2 F1 87.3(6) 2_556 .
F2 P2 F1 92.7(6) . .
F3 P2 F1 97.4(6) . .
F3 P2 F1 82.6(6) 2_556 .
F4AA P2 F1 94.3(5) 2_556 .
F4AA P2 F1 85.7(5) . .
F1 P2 F1 180.0 2_556 .
F2 P2 F3AA 28.5(6) 2_556 2_556
F2 P2 F3AA 151.5(6) . 2_556
F3 P2 F3AA 89.5(8) . 2_556
F3 P2 F3AA 90.5(8) 2_556 2_556
F4AA P2 F3AA 60.4(7) 2_556 2_556
F4AA P2 F3AA 119.6(7) . 2_556
F1 P2 F3AA 89.3(6) 2_556 2_556
F1 P2 F3AA 90.7(6) . 2_556
F2 P2 F3AA 151.5(6) 2_556 .
F2 P2 F3AA 28.5(6) . .
F3 P2 F3AA 90.5(8) . .
F3 P2 F3AA 89.5(8) 2_556 .
F4AA P2 F3AA 119.6(7) 2_556 .
F4AA P2 F3AA 60.4(7) . .
F1 P2 F3AA 90.7(6) 2_556 .
F1 P2 F3AA 89.3(6) . .
F3AA P2 F3AA 180.0 2_556 .
F3AA F2 P2 79.4(19) . .
F3AA F2 F3 136(3) . 2_556
P2 F2 F3 59.2(7) . 2_556
F4AA F3 P2 74.4(13) . .
F4AA F3 F2 126.3(18) . 2_556
P2 F3 F2 58.9(7) . 2_556
F4 P3 F4 180.0 2_656 .
F4 P3 F5 93.6(4) 2_656 2_656
F4 P3 F5 86.4(4) . 2_656
F4 P3 F5 86.4(4) 2_656 .
F4 P3 F5 93.6(4) . .
F5 P3 F5 180.0 2_656 .
F4 P3 F6 90.5(3) 2_656 2_656
F4 P3 F6 89.5(3) . 2_656
F5 P3 F6 91.3(3) 2_656 2_656
F5 P3 F6 88.7(3) . 2_656
F4 P3 F6 89.5(3) 2_656 .
F4 P3 F6 90.5(3) . .
F5 P3 F6 88.7(3) 2_656 .
F5 P3 F6 91.3(3) . .
F6 P3 F6 180.0 2_656 .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N7 C36 C37 178.5(13) . .
C40 O2 C39 107(2) . .
O2 C39 C38 114.6(15) . .
O2 C39 H39A 108.6 . .
C38 C39 H39A 108.6 . .
O2 C39 H39B 108.6 . .
C38 C39 H39B 108.6 . .
H39A C39 H39B 107.6 . .
F8 F0AA F1AA 116(2) . .
F8 F0AA P4 66.9(14) . .
F1AA F0AA P4 61.8(11) . .
F7 F1AA F0AA 116(3) . .
F7 F1AA P4 62(2) . .
F0AA F1AA P4 61.3(11) . .
F10 F2AA P4 63.1(5) . .
F10 F2AA F8 95.7(10) . .
P4 F2AA F8 59.5(5) . .
F2 F3AA F4AA 131(2) . .
F2 F3AA P2 72.1(17) . .
F4AA F3AA P2 58.6(7) . .
F3 F4AA P2 73.4(14) . .
F3 F4AA F3AA 129.2(18) . .
P2 F4AA F3AA 61.0(6) . .
F11 F5AA F10 147(3) . .
F11 F5AA P4 79(2) . .
F10 F5AA P4 70.9(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C38 C39 1.407(16) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C41 C40 1.515(18) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C40 O2 1.08(3) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
Rh1 C8 1.902(4) .
Rh1 C10 1.907(4) .
Rh1 O1 2.030(2) .
Rh1 N6 2.202(3) .
Rh1 N1 2.218(3) .
Rh1 P1 2.4107(11) .
P1 C24 1.860(5) .
P1 C18 1.864(4) .
P1 C30 1.872(5) .
P4 F7 1.393(19) .
P4 F5AA 1.41(2) .
P4 F9 1.463(7) .
P4 F8 1.538(11) .
P4 F2AA 1.546(10) .
P4 F12 1.567(7) .
P4 F0AA 1.57(2) .
P4 F1AA 1.581(16) .
P4 F11 1.583(11) .
P4 F10 1.590(9) .
F10 F5AA 1.33(3) .
F10 F2AA 1.494(16) .
F11 F5AA 1.03(3) .
F11 F7 1.55(3) .
F7 F1AA 0.80(3) .
F8 F0AA 1.13(2) .
F8 F2AA 1.551(18) .
O1 O1 1.458(5) 2_655
N6 C13 1.337(5) .
N6 C17 1.342(5) .
N5 C10 1.343(5) .
N5 C12 1.396(6) .
N5 C13 1.406(5) .
N4 C10 1.339(5) .
N4 C11 1.389(6) .
N4 C9 1.443(6) .
N3 C8 1.336(5) .
N3 C7 1.392(6) .
N3 C9 1.455(7) .
N2 C8 1.351(6) .
N2 C6 1.392(6) .
N2 C5 1.416(6) .
N1 C1 1.332(6) .
N1 C5 1.344(6) .
C19 C20 1.519(7) .
C19 C18 1.541(6) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C30 C35 1.525(7) .
C30 C31 1.538(6) .
C30 H30 0.9800 .
C13 C14 1.371(6) .
C18 C23 1.518(6) .
C18 H18 0.9800 .
C5 C4 1.377(7) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C22 C21 1.506(8) .
C22 C23 1.532(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C24 C29 1.531(6) .
C24 C25 1.539(6) .
C24 H24 0.9800 .
C25 C26 1.514(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C12 C11 1.329(8) .
C12 H12 0.9300 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C14 C15 1.376(8) .
C14 H14 0.9300 .
C17 C16 1.371(7) .
C17 H17 0.9300 .
C1 C2 1.371(7) .
C1 H1 0.9300 .
C11 H11 0.9300 .
C16 C15 1.368(8) .
C16 H16 0.9300 .
C4 C3 1.372(9) .
C4 H4 0.9300 .
C20 C21 1.505(8) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C31 C32 1.535(8) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C26 C27 1.518(8) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C7 C6 1.312(8) .
C7 H7 0.9300 .
C15 H15 0.9300 .
C29 C28 1.528(8) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C2 C3 1.356(10) .
C2 H2 0.9300 .
C35 C34 1.509(8) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C6 H6 0.9300 .
C28 C27 1.524(9) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C33 C34 1.518(9) .
C33 C32 1.533(10) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C3 H3 0.9300 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
P2 F2 1.549(13) 2_556
P2 F2 1.549(13) .
P2 F3 1.553(13) .
P2 F3 1.553(13) 2_556
P2 F4AA 1.561(11) 2_556
P2 F4AA 1.561(11) .
P2 F1 1.586(4) 2_556
P2 F1 1.586(4) .
P2 F3AA 1.600(14) 2_556
P2 F3AA 1.600(14) .
F2 F3AA 0.776(17) .
F2 F3 1.60(2) 2_556
F3 F4AA 0.864(15) .
P3 F4 1.531(6) 2_656
P3 F4 1.531(6) .
P3 F5 1.539(5) 2_656
P3 F5 1.539(5) .
P3 F6 1.569(5) 2_656
P3 F6 1.569(5) .
C37 C36 1.436(14) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
N7 C36 1.134(13) .
O2 C39 1.283(19) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
F0AA F1AA 1.50(3) .
F3AA F4AA 1.59(2) .
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
F7 P4 F10 F5AA 42(3) . .
F9 P4 F10 F5AA 98.8(15) . .
F8 P4 F10 F5AA 171.4(16) . .
F2AA P4 F10 F5AA -136.8(16) . .
F12 P4 F10 F5AA -72.4(14) . .
F0AA P4 F10 F5AA -160.4(18) . .
F11 P4 F10 F5AA 9.2(17) . .
F7 P4 F10 F2AA 178(3) . .
F5AA P4 F10 F2AA 136.8(16) . .
F9 P4 F10 F2AA -124.4(8) . .
F8 P4 F10 F2AA -51.8(9) . .
F12 P4 F10 F2AA 64.3(7) . .
F0AA P4 F10 F2AA -23.6(15) . .
F11 P4 F10 F2AA 145.9(8) . .
F7 P4 F11 F5AA -173(3) . .
F9 P4 F11 F5AA -94(2) . .
F8 P4 F11 F5AA -112(3) . .
F2AA P4 F11 F5AA 30(3) . .
F12 P4 F11 F5AA 82(2) . .
F0AA P4 F11 F5AA 155(2) . .
F1AA P4 F11 F5AA 166(2) . .
F10 P4 F11 F5AA -11(2) . .
F5AA P4 F11 F7 173(3) . .
F9 P4 F11 F7 78.8(16) . .
F8 P4 F11 F7 61(4) . .
F2AA P4 F11 F7 -157.5(19) . .
F12 P4 F11 F7 -105.5(18) . .
F0AA P4 F11 F7 -32(3) . .
F1AA P4 F11 F7 -21(2) . .
F10 P4 F11 F7 161.3(18) . .
F5AA P4 F7 F1AA -139(4) . .
F9 P4 F7 F1AA 131(4) . .
F8 P4 F7 F1AA 62(4) . .
F2AA P4 F7 F1AA 5(7) . .
F12 P4 F7 F1AA -59(4) . .
F0AA P4 F7 F1AA 26(3) . .
F11 P4 F7 F1AA -134(4) . .
F10 P4 F7 F1AA -171.7(16) . .
F5AA P4 F7 F11 -4.8(19) . .
F9 P4 F7 F11 -95.0(12) . .
F8 P4 F7 F11 -163.6(11) . .
F2AA P4 F7 F11 140(3) . .
F12 P4 F7 F11 75.2(12) . .
F0AA P4 F7 F11 160.4(16) . .
F1AA P4 F7 F11 134(4) . .
F10 P4 F7 F11 -37(3) . .
F5AA F11 F7 F1AA 72(5) . .
P4 F11 F7 F1AA 65(4) . .
F5AA F11 F7 P4 7(3) . .
F7 P4 F8 F0AA -59(2) . .
F5AA P4 F8 F0AA 157(2) . .
F9 P4 F8 F0AA -133(2) . .
F2AA P4 F8 F0AA 97(2) . .
F12 P4 F8 F0AA 51(2) . .
F1AA P4 F8 F0AA -33(2) . .
F11 P4 F8 F0AA -114(3) . .
F10 P4 F8 F0AA 145.9(19) . .
F7 P4 F8 F2AA -156.1(18) . .
F5AA P4 F8 F2AA 61(2) . .
F9 P4 F8 F2AA 130.6(11) . .
F12 P4 F8 F2AA -45.7(11) . .
F0AA P4 F8 F2AA -97(2) . .
F1AA P4 F8 F2AA -129.4(11) . .
F11 P4 F8 F2AA 150(3) . .
F10 P4 F8 F2AA 49.2(8) . .
C11 N4 C10 N5 0.5(4) . .
C9 N4 C10 N5 175.7(4) . .
C11 N4 C10 Rh1 170.5(3) . .
C9 N4 C10 Rh1 -14.3(6) . .
C12 N5 C10 N4 -0.3(4) . .
C13 N5 C10 N4 174.1(3) . .
C12 N5 C10 Rh1 -171.8(3) . .
C13 N5 C10 Rh1 2.6(5) . .
C24 P1 C30 C35 43.2(4) . .
C18 P1 C30 C35 154.9(3) . .
Rh1 P1 C30 C35 -76.1(3) . .
C24 P1 C30 C31 -85.3(4) . .
C18 P1 C30 C31 26.5(5) . .
Rh1 P1 C30 C31 155.4(4) . .
C17 N6 C13 C14 5.5(6) . .
Rh1 N6 C13 C14 -180.0(3) . .
C17 N6 C13 N5 -175.9(3) . .
Rh1 N6 C13 N5 -1.4(4) . .
C10 N5 C13 N6 -0.5(5) . .
C12 N5 C13 N6 172.1(4) . .
C10 N5 C13 C14 178.1(4) . .
C12 N5 C13 C14 -9.3(7) . .
C20 C19 C18 C23 -51.4(6) . .
C20 C19 C18 P1 -179.4(4) . .
C24 P1 C18 C23 175.0(3) . .
C30 P1 C18 C23 64.3(4) . .
Rh1 P1 C18 C23 -59.2(4) . .
C24 P1 C18 C19 -57.8(4) . .
C30 P1 C18 C19 -168.5(3) . .
Rh1 P1 C18 C19 68.0(4) . .
C1 N1 C5 C4 -2.6(6) . .
Rh1 N1 C5 C4 -175.9(4) . .
C1 N1 C5 N2 177.5(4) . .
Rh1 N1 C5 N2 4.1(4) . .
C8 N2 C5 N1 -0.8(5) . .
C6 N2 C5 N1 -175.8(5) . .
C8 N2 C5 C4 179.3(4) . .
C6 N2 C5 C4 4.2(8) . .
C10 N4 C9 N3 28.6(6) . .
C11 N4 C9 N3 -157.0(4) . .
C8 N3 C9 N4 -28.4(6) . .
C7 N3 C9 N4 157.0(4) . .
C18 P1 C24 C29 -46.9(4) . .
C30 P1 C24 C29 63.0(4) . .
Rh1 P1 C24 C29 -177.8(3) . .
C18 P1 C24 C25 82.3(4) . .
C30 P1 C24 C25 -167.8(3) . .
Rh1 P1 C24 C25 -48.5(4) . .
C29 C24 C25 C26 -57.3(6) . .
P1 C24 C25 C26 170.7(4) . .
C10 N5 C12 C11 0.0(5) . .
C13 N5 C12 C11 -173.1(4) . .
C19 C18 C23 C22 52.6(5) . .
P1 C18 C23 C22 -178.3(4) . .
C21 C22 C23 C18 -56.2(6) . .
N6 C13 C14 C15 -3.2(7) . .
N5 C13 C14 C15 178.4(4) . .
C13 N6 C17 C16 -3.7(6) . .
Rh1 N6 C17 C16 -176.9(3) . .
C5 N1 C1 C2 2.8(7) . .
Rh1 N1 C1 C2 174.5(4) . .
N5 C12 C11 N4 0.3(5) . .
C10 N4 C11 C12 -0.5(5) . .
C9 N4 C11 C12 -175.7(4) . .
C7 N3 C8 N2 -1.5(5) . .
C9 N3 C8 N2 -176.8(4) . .
C7 N3 C8 Rh1 -170.7(3) . .
C9 N3 C8 Rh1 14.0(6) . .
C6 N2 C8 N3 1.5(5) . .
C5 N2 C8 N3 -174.7(3) . .
C6 N2 C8 Rh1 172.4(3) . .
C5 N2 C8 Rh1 -3.9(5) . .
N6 C17 C16 C15 -0.3(7) . .
N1 C5 C4 C3 1.0(8) . .
N2 C5 C4 C3 -179.1(5) . .
C18 C19 C20 C21 53.8(7) . .
C35 C30 C31 C32 59.3(6) . .
P1 C30 C31 C32 -170.5(5) . .
C19 C20 C21 C22 -56.7(6) . .
C23 C22 C21 C20 57.3(6) . .
C24 C25 C26 C27 58.0(7) . .
C8 N3 C7 C6 0.9(6) . .
C9 N3 C7 C6 176.2(5) . .
C17 C16 C15 C14 2.7(8) . .
C13 C14 C15 C16 -1.1(8) . .
C25 C24 C29 C28 56.3(6) . .
P1 C24 C29 C28 -172.7(4) . .
N1 C1 C2 C3 -1.5(9) . .
C31 C30 C35 C34 -61.0(6) . .
P1 C30 C35 C34 165.5(4) . .
N3 C7 C6 N2 0.1(6) . .
C8 N2 C6 C7 -1.0(6) . .
C5 N2 C6 C7 174.4(5) . .
C24 C29 C28 C27 -57.0(7) . .
C30 C35 C34 C33 59.0(7) . .
C32 C33 C34 C35 -55.6(8) . .
C1 C2 C3 C4 -0.3(10) . .
C5 C4 C3 C2 0.5(9) . .
C25 C26 C27 C28 -57.5(8) . .
C29 C28 C27 C26 57.2(8) . .
C34 C33 C32 C31 56.3(8) . .
C30 C31 C32 C33 -58.1(7) . .
F3 P2 F2 F3AA -16(2) . .
F3 P2 F2 F3AA 164(2) 2_556 .
F4AA P2 F2 F3AA 178(2) 2_556 .
F4AA P2 F2 F3AA -2(2) . .
F1 P2 F2 F3AA -96(2) 2_556 .
F1 P2 F2 F3AA 84(2) . .
F3AA P2 F2 F3AA 180.005(4) 2_556 .
F3 P2 F2 F3 180.000(2) . 2_556
F4AA P2 F2 F3 14.3(10) 2_556 2_556
F4AA P2 F2 F3 -165.7(10) . 2_556
F1 P2 F2 F3 99.9(7) 2_556 2_556
F1 P2 F2 F3 -80.1(7) . 2_556
F3AA P2 F2 F3 16(2) 2_556 2_556
F3AA P2 F2 F3 -164(2) . 2_556
F2 P2 F3 F4AA -152(2) 2_556 .
F2 P2 F3 F4AA 28(2) . .
F4AA P2 F3 F4AA 180.003(5) 2_556 .
F1 P2 F3 F4AA 110.5(19) 2_556 .
F1 P2 F3 F4AA -69.5(19) . .
F3AA P2 F3 F4AA -160.1(19) 2_556 .
F3AA P2 F3 F4AA 19.9(19) . .
F2 P2 F3 F2 180.001(3) . 2_556
F4AA P2 F3 F2 -28(2) 2_556 2_556
F4AA P2 F3 F2 152(2) . 2_556
F1 P2 F3 F2 -97.1(7) 2_556 2_556
F1 P2 F3 F2 82.9(7) . 2_556
F3AA P2 F3 F2 -7.7(11) 2_556 2_556
F3AA P2 F3 F2 172.3(11) . 2_556
C41 C40 O2 C39 -174(2) . .
C40 O2 C39 C38 -172(2) . .
P4 F8 F0AA F1AA 39.1(19) . .
F2AA F8 F0AA F1AA 99(2) . .
F2AA F8 F0AA P4 59.7(7) . .
F7 P4 F0AA F8 124(2) . .
F5AA P4 F0AA F8 -122(6) . .
F9 P4 F0AA F8 46.2(19) . .
F2AA P4 F0AA F8 -64.6(16) . .
F12 P4 F0AA F8 -135.6(18) . .
F1AA P4 F0AA F8 140(2) . .
F11 P4 F0AA F8 152.9(14) . .
F10 P4 F0AA F8 -44(2) . .
F7 P4 F0AA F1AA -15(2) . .
F5AA P4 F0AA F1AA 98(6) . .
F9 P4 F0AA F1AA -93.6(12) . .
F8 P4 F0AA F1AA -140(2) . .
F2AA P4 F0AA F1AA 155.6(14) . .
F12 P4 F0AA F1AA 84.6(11) . .
F11 P4 F0AA F1AA 13(2) . .
F10 P4 F0AA F1AA 176.1(10) . .
P4 F7 F1AA F0AA -30(4) . .
F11 F7 F1AA F0AA -85(5) . .
F11 F7 F1AA P4 -55(3) . .
F8 F0AA F1AA F7 -11(5) . .
P4 F0AA F1AA F7 31(4) . .
F8 F0AA F1AA P4 -41(2) . .
F5AA P4 F1AA F7 50(4) . .
F9 P4 F1AA F7 -49(4) . .
F8 P4 F1AA F7 -123(4) . .
F2AA P4 F1AA F7 -177(3) . .
F12 P4 F1AA F7 121(4) . .
F0AA P4 F1AA F7 -149(4) . .
F11 P4 F1AA F7 39(4) . .
F7 P4 F1AA F0AA 149(4) . .
F5AA P4 F1AA F0AA -161.2(17) . .
F9 P4 F1AA F0AA 99.2(13) . .
F8 P4 F1AA F0AA 26.0(15) . .
F2AA P4 F1AA F0AA -28.7(16) . .
F12 P4 F1AA F0AA -89.9(13) . .
F11 P4 F1AA F0AA -171.9(14) . .
F5AA F10 F2AA P4 36.5(13) . .
F5AA F10 F2AA F8 88.0(16) . .
P4 F10 F2AA F8 51.5(7) . .
F7 P4 F2AA F10 -178(4) . .
F5AA P4 F2AA F10 -33.1(13) . .
F9 P4 F2AA F10 63.0(8) . .
F8 P4 F2AA F10 115.4(11) . .
F12 P4 F2AA F10 -107.6(8) . .
F0AA P4 F2AA F10 160.3(12) . .
F1AA P4 F2AA F10 -174.8(10) . .
F11 P4 F2AA F10 -51.9(12) . .
F7 P4 F2AA F8 67(4) . .
F5AA P4 F2AA F8 -148.5(15) . .
F9 P4 F2AA F8 -52.4(11) . .
F12 P4 F2AA F8 137.0(12) . .
F0AA P4 F2AA F8 44.9(10) . .
F1AA P4 F2AA F8 69.8(12) . .
F11 P4 F2AA F8 -167.3(12) . .
F10 P4 F2AA F8 -115.4(11) . .
F0AA F8 F2AA F10 -123.7(18) . .
P4 F8 F2AA F10 -54.0(7) . .
F0AA F8 F2AA P4 -69.7(15) . .
P2 F2 F3AA F4AA 3(3) . .
F3 F2 F3AA F4AA 23(5) 2_556 .
F3 F2 F3AA P2 20(3) 2_556 .
F2 P2 F3AA F2 179.999(5) 2_556 .
F3 P2 F3AA F2 166(2) . .
F3 P2 F3AA F2 -14(2) 2_556 .
F4AA P2 F3AA F2 -2(2) 2_556 .
F4AA P2 F3AA F2 178(2) . .
F1 P2 F3AA F2 83(2) 2_556 .
F1 P2 F3AA F2 -97(2) . .
F2 P2 F3AA F4AA 2(2) 2_556 .
F2 P2 F3AA F4AA -178(2) . .
F3 P2 F3AA F4AA -12.0(10) . .
F3 P2 F3AA F4AA 168.0(10) 2_556 .
F4AA P2 F3AA F4AA 179.999(3) 2_556 .
F1 P2 F3AA F4AA -94.6(6) 2_556 .
F1 P2 F3AA F4AA 85.4(6) . .
F2 F3 F4AA P2 -29(2) 2_556 .
P2 F3 F4AA F3AA -26(2) . .
F2 F3 F4AA F3AA -56(4) 2_556 .
F2 P2 F4AA F3 24(2) 2_556 .
F2 P2 F4AA F3 -156(2) . .
F3 P2 F4AA F3 180.000(5) 2_556 .
F1 P2 F4AA F3 -68.7(19) 2_556 .
F1 P2 F4AA F3 111.3(19) . .
F3AA P2 F4AA F3 23(2) 2_556 .
F3AA P2 F4AA F3 -157(2) . .
F2 P2 F4AA F3AA -178.9(12) 2_556 .
F2 P2 F4AA F3AA 1.1(12) . .
F3 P2 F4AA F3AA 157(2) . .
F3 P2 F4AA F3AA -23(2) 2_556 .
F1 P2 F4AA F3AA 88.3(7) 2_556 .
F1 P2 F4AA F3AA -91.7(7) . .
F3AA P2 F4AA F3AA 179.997(3) 2_556 .
F2 F3AA F4AA F3 26(5) . .
P2 F3AA F4AA F3 29(3) . .
F2 F3AA F4AA P2 -3(3) . .
F7 F11 F5AA F10 19(7) . .
P4 F11 F5AA F10 25(5) . .
F7 F11 F5AA P4 -6(2) . .
F2AA F10 F5AA F11 -64(6) . .
P4 F10 F5AA F11 -27(5) . .
F2AA F10 F5AA P4 -37.9(12) . .
F7 P4 F5AA F11 7(3) . .
F9 P4 F5AA F11 86.9(19) . .
F8 P4 F5AA F11 151.0(18) . .
F2AA P4 F5AA F11 -159.0(18) . .
F12 P4 F5AA F11 -90.7(19) . .
F0AA P4 F5AA F11 -104(6) . .
F1AA P4 F5AA F11 -17(3) . .
F10 P4 F5AA F11 166(3) . .
F7 P4 F5AA F10 -158.9(18) . .
F9 P4 F5AA F10 -78.6(12) . .
F8 P4 F5AA F10 -15(3) . .
F2AA P4 F5AA F10 35.5(12) . .
F12 P4 F5AA F10 103.7(11) . .
F0AA P4 F5AA F10 90(6) . .
F1AA P4 F5AA F10 177.6(11) . .
F11 P4 F5AA F10 -166(3) . .
