#------------------------------------------------------------------------------
#$Date: 2015-10-09 13:59:18 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161723 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/50/7035070.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_7035070
loop_
_publ_author_name
'Wang, Chunyan'
'Lam, Ho-Chuen'
'Zhu, Nianyong'
'Wong, Keith Man-Chung'
_publ_section_title
;
 Introduction of luminescent rhenium(i), ruthenium(ii), iridium(iii) and
 rhodium(iii) systems into rhodamine-tethered ligands for the construction
 of bichromophoric chemosensors.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15250
_journal_page_last               15263
_journal_paper_doi               10.1039/c5dt00661a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C56 H49 F6 N7 O2 P Rh'
_chemical_formula_weight         1099.90
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-04-09 deposited with the CCDC.
2015-04-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   23.030(5)
_cell_length_b                   23.030(5)
_cell_length_c                   64.8842(12)
_cell_measurement_reflns_used    4280
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.3474
_cell_measurement_theta_min      2.3974
_cell_volume                     29803(9)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.890
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0816
_diffrn_reflns_av_unetI/netI     0.1078
_diffrn_reflns_laue_measured_fraction_full 0.912
_diffrn_reflns_laue_measured_fraction_max 0.890
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       67
_diffrn_reflns_limit_l_min       -75
_diffrn_reflns_number            36615
_diffrn_reflns_point_group_measured_fraction_full 0.912
_diffrn_reflns_point_group_measured_fraction_max 0.890
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         1.769
_exptl_absorpt_coefficient_mu    0.337
_exptl_absorpt_correction_T_max  0.7236
_exptl_absorpt_correction_T_min  0.6503
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.103
_exptl_crystal_description       block
_exptl_crystal_F_000             10152
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.652
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.899
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     647
_refine_ls_number_reflns         13553
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.899
_refine_ls_R_factor_all          0.1751
_refine_ls_R_factor_gt           0.0653
_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)+(0.1164P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.2293
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4809
_reflns_number_total             13553
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt00661a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7035070.cif.'
_cod_original_cell_volume        29802(13)
_cod_database_code               7035070
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.73516(2) 0.94001(2) 0.14186(2) 0.0729(2) Uani 1 1 d . . . . .
O1 O 0.61206(18) 0.84123(19) 0.06203(8) 0.0998(15) Uani 1 1 d . . . . .
O2 O 0.8584(2) 1.1355(2) 0.06746(7) 0.0881(13) Uani 1 1 d . . . . .
N1 N 0.7430(3) 0.8505(2) 0.13900(8) 0.0790(14) Uani 1 1 d . . . . .
N2 N 0.7871(2) 0.9544(2) 0.11292(7) 0.0652(12) Uani 1 1 d . . . . .
N3 N 0.7672(2) 1.0292(2) 0.06724(7) 0.0594(11) Uani 1 1 d . . . . .
N4 N 0.4524(3) 0.9147(3) 0.06645(11) 0.113(2) Uani 1 1 d . . . . .
N5 N 0.7539(3) 0.7460(2) 0.06257(9) 0.0947(17) Uani 1 1 d D . . . .
N6 N 0.8201(3) 0.9839(3) 0.15863(10) 0.0860(16) Uani 1 1 d . . . . .
N7 N 0.6440(3) 0.9002(3) 0.12844(8) 0.0862(15) Uani 1 1 d . . . . .
C1 C 0.7209(4) 0.7986(4) 0.15172(11) 0.103(2) Uani 1 1 d . . . . .
H1 H 0.7001 0.7991 0.1640 0.124 Uiso 1 1 calc R U . . .
C2 C 0.7283(5) 0.7432(4) 0.14711(16) 0.134(3) Uani 1 1 d . . . . .
H2 H 0.7115 0.7069 0.1561 0.161 Uiso 1 1 calc R U . . .
C3 C 0.7599(5) 0.7422(4) 0.12954(15) 0.126(3) Uani 1 1 d . . . . .
H3 H 0.7657 0.7060 0.1265 0.151 Uiso 1 1 calc R U . . .
C4 C 0.7832(4) 0.7960(3) 0.11625(11) 0.102(2) Uani 1 1 d . . . . .
H4 H 0.8053 0.7968 0.1042 0.122 Uiso 1 1 calc R U . . .
C5 C 0.7732(3) 0.8481(3) 0.12115(10) 0.0736(17) Uani 1 1 d . . . . .
C6 C 0.7970(3) 0.9067(3) 0.10802(9) 0.0684(15) Uani 1 1 d . . . . .
H6 H 0.8196 0.9094 0.0959 0.082 Uiso 1 1 calc R U . . .
C7 C 0.8145(3) 1.0149(3) 0.10017(9) 0.0673(15) Uani 1 1 d . . . . .
H7A H 0.8444 1.0134 0.0899 0.081 Uiso 1 1 calc R U . . .
H7B H 0.8405 1.0540 0.1088 0.081 Uiso 1 1 calc R U . . .
C8 C 0.7585(3) 1.0218(3) 0.08920(10) 0.0696(16) Uani 1 1 d . . . . .
H8A H 0.7156 0.9824 0.0922 0.084 Uiso 1 1 calc R U . . .
H8B H 0.7576 1.0604 0.0948 0.084 Uiso 1 1 calc R U . . .
C9 C 0.8160(3) 1.0865(3) 0.05802(10) 0.0656(15) Uani 1 1 d . . . . .
C10 C 0.8059(3) 1.0753(3) 0.03576(11) 0.0702(16) Uani 1 1 d . . . . .
C11 C 0.8424(3) 1.1167(3) 0.01918(13) 0.093(2) Uani 1 1 d . . . . .
H11 H 0.8790 1.1592 0.0214 0.111 Uiso 1 1 calc R U . . .
C12 C 0.8227(5) 1.0931(4) -0.00006(13) 0.110(3) Uani 1 1 d . . . . .
H12 H 0.8462 1.1199 -0.0112 0.132 Uiso 1 1 calc R U . . .
C13 C 0.7691(4) 1.0307(4) -0.00355(11) 0.099(2) Uani 1 1 d . . . . .
H13 H 0.7571 1.0159 -0.0171 0.119 Uiso 1 1 calc R U . . .
C14 C 0.7318(3) 0.9885(4) 0.01256(11) 0.0868(19) Uani 1 1 d . . . . .
H14 H 0.6949 0.9464 0.0101 0.104 Uiso 1 1 calc R U . . .
C15 C 0.7515(3) 1.0114(3) 0.03204(10) 0.0675(15) Uani 1 1 d . . . . .
C16 C 0.7228(3) 0.9763(3) 0.05262(9) 0.0616(14) Uani 1 1 d . . . . .
C17 C 0.5510(4) 1.0495(4) 0.06045(18) 0.171(5) Uani 1 1 d . . . . .
H17A H 0.5039 1.0307 0.0631 0.256 Uiso 1 1 calc R U . . .
H17B H 0.5763 1.0804 0.0712 0.256 Uiso 1 1 calc R U . . .
H17C H 0.5619 1.0727 0.0475 0.256 Uiso 1 1 calc R U . . .
C18 C 0.5679(3) 0.9940(3) 0.05966(12) 0.099(2) Uani 1 1 d . . . . .
C19 C 0.6324(3) 1.0068(3) 0.05602(11) 0.094(2) Uani 1 1 d . . . . .
H19 H 0.6654 1.0509 0.0534 0.113 Uiso 1 1 calc R U . . .
C20 C 0.6511(3) 0.9582(3) 0.05606(9) 0.0664(15) Uani 1 1 d . . . . .
C21 C 0.6022(3) 0.8958(3) 0.06032(10) 0.0715(17) Uani 1 1 d . . . . .
C22 C 0.5356(3) 0.8788(3) 0.06316(11) 0.087(2) Uani 1 1 d . . . . .
H22 H 0.5030 0.8342 0.0652 0.104 Uiso 1 1 calc R U . . .
C23 C 0.5181(3) 0.9273(3) 0.06296(11) 0.085(2) Uani 1 1 d . . . . .
C24 C 0.3979(3) 0.8463(4) 0.06738(17) 0.147(4) Uani 1 1 d . . . . .
H24A H 0.3952 0.8240 0.0544 0.176 Uiso 1 1 calc R U . . .
H24B H 0.4066 0.8227 0.0782 0.176 Uiso 1 1 calc R U . . .
C25 C 0.3351(4) 0.8435(5) 0.0713(2) 0.222(7) Uani 1 1 d . . . . .
H25A H 0.2998 0.7975 0.0718 0.334 Uiso 1 1 calc R U . . .
H25B H 0.3375 0.8649 0.0842 0.334 Uiso 1 1 calc R U . . .
H25C H 0.3260 0.8662 0.0604 0.334 Uiso 1 1 calc R U . . .
C26 C 0.8692(3) 0.8701(3) 0.05268(10) 0.0859(19) Uani 1 1 d . . . . .
H26A H 0.8655 0.8273 0.0550 0.129 Uiso 1 1 calc R U . . .
H26B H 0.8858 0.8853 0.0390 0.129 Uiso 1 1 calc R U . . .
H26C H 0.8996 0.9018 0.0626 0.129 Uiso 1 1 calc R U . . .
C27 C 0.8017(3) 0.8639(3) 0.05500(9) 0.0653(15) Uani 1 1 d . . . . .
C28 C 0.7916(3) 0.9169(3) 0.05257(8) 0.0639(15) Uani 1 1 d . . . . .
H28 H 0.8287 0.9579 0.0492 0.077 Uiso 1 1 calc R U . . .
C29 C 0.7298(3) 0.9149(3) 0.05478(9) 0.0622(15) Uani 1 1 d . . . . .
C30 C 0.6765(3) 0.8523(3) 0.05978(10) 0.0767(17) Uani 1 1 d . . . . .
C31 C 0.6829(3) 0.7967(3) 0.06240(11) 0.086(2) Uani 1 1 d . . . . .
H31 H 0.6455 0.7558 0.0657 0.103 Uiso 1 1 calc R U . . .
C32 C 0.7456(3) 0.8012(3) 0.06010(9) 0.0700(16) Uani 1 1 d . . . . .
C33 C 0.6967(5) 0.6793(4) 0.0694(2) 0.154(4) Uani 1 1 d D . . . .
H33C H 0.6842 0.6846 0.0832 0.184 Uiso 0.43(2) 1 calc R U P A 2
H33D H 0.6587 0.6683 0.0605 0.184 Uiso 0.43(2) 1 calc R U P A 2
H33A H 0.7149 0.6561 0.0772 0.184 Uiso 0.57(2) 1 calc R U P A 1
H33B H 0.6682 0.6872 0.0786 0.184 Uiso 0.57(2) 1 calc R U P A 1
C34 C 0.6594(9) 0.6395(8) 0.0543(3) 0.179(11) Uani 0.57(2) 1 d D . P A 1
H34D H 0.6244 0.5984 0.0601 0.268 Uiso 0.57(2) 1 calc R U P A 1
H34E H 0.6399 0.6612 0.0467 0.268 Uiso 0.57(2) 1 calc R U P A 1
H34F H 0.6867 0.6301 0.0453 0.268 Uiso 0.57(2) 1 calc R U P A 1
C34' C 0.7064(14) 0.6275(10) 0.0695(8) 0.31(3) Uani 0.43(2) 1 d D . P A 2
H34A H 0.6664 0.5884 0.0741 0.458 Uiso 0.43(2) 1 calc R U P A 2
H34B H 0.7172 0.6201 0.0558 0.458 Uiso 0.43(2) 1 calc R U P A 2
H34C H 0.7428 0.6365 0.0786 0.458 Uiso 0.43(2) 1 calc R U P A 2
C35 C 0.6960(4) 0.9211(4) 0.17004(13) 0.097(2) Uani 1 1 d . . . . .
C36 C 0.6280(5) 0.8875(4) 0.17541(14) 0.122(3) Uani 1 1 d . . . . .
H36 H 0.5959 0.8738 0.1650 0.146 Uiso 1 1 calc R U . . .
C37 C 0.6069(6) 0.8738(5) 0.19586(19) 0.147(4) Uani 1 1 d . . . . .
H37 H 0.5617 0.8500 0.1994 0.177 Uiso 1 1 calc R U . . .
C38 C 0.6577(9) 0.8980(6) 0.21091(18) 0.165(5) Uani 1 1 d . . . . .
H38 H 0.6452 0.8911 0.2247 0.198 Uiso 1 1 calc R U . . .
C39 C 0.7251(7) 0.9313(5) 0.20625(16) 0.141(4) Uani 1 1 d . . . . .
H39 H 0.7574 0.9454 0.2166 0.169 Uiso 1 1 calc R U . . .
C40 C 0.7425(5) 0.9427(4) 0.18619(12) 0.094(2) Uani 1 1 d . . . . .
C41 C 0.8118(5) 0.9776(4) 0.17990(14) 0.095(2) Uani 1 1 d . . . . .
C42 C 0.8694(6) 1.0066(5) 0.19257(13) 0.127(3) Uani 1 1 d . . . . .
H42 H 0.8646 1.0018 0.2068 0.153 Uiso 1 1 calc R U . . .
C43 C 0.9330(6) 1.0419(5) 0.1841(2) 0.142(4) Uani 1 1 d . . . . .
H43 H 0.9704 1.0622 0.1926 0.170 Uiso 1 1 calc R U . . .
C44 C 0.9404(4) 1.0469(4) 0.16339(15) 0.110(3) Uani 1 1 d . . . . .
H44 H 0.9827 1.0695 0.1574 0.131 Uiso 1 1 calc R U . . .
C45 C 0.8829(4) 1.0171(4) 0.15135(12) 0.097(2) Uani 1 1 d . . . . .
H45 H 0.8885 1.0204 0.1371 0.116 Uiso 1 1 calc R U . . .
C46 C 0.7267(3) 1.0213(3) 0.14071(9) 0.0719(16) Uani 1 1 d . . . . .
C47 C 0.7747(4) 1.0870(4) 0.14535(11) 0.095(2) Uani 1 1 d . . . . .
H47 H 0.8155 1.0955 0.1509 0.114 Uiso 1 1 calc R U . . .
C48 C 0.7639(5) 1.1408(4) 0.14195(14) 0.120(3) Uani 1 1 d . . . . .
H48 H 0.7969 1.1843 0.1453 0.144 Uiso 1 1 calc R U . . .
C49 C 0.7041(5) 1.1289(5) 0.13359(15) 0.136(3) Uani 1 1 d . . . . .
H49 H 0.6966 1.1645 0.1314 0.164 Uiso 1 1 calc R U . . .
C50 C 0.6554(5) 1.0652(5) 0.12850(13) 0.117(3) Uani 1 1 d . . . . .
H50 H 0.6152 1.0572 0.1226 0.140 Uiso 1 1 calc R U . . .
C51 C 0.6673(3) 1.0126(4) 0.13233(10) 0.0824(18) Uani 1 1 d . . . . .
C52 C 0.6206(3) 0.9440(4) 0.12672(10) 0.088(2) Uani 1 1 d . . . . .
C53 C 0.5535(4) 0.9191(5) 0.12010(13) 0.122(3) Uani 1 1 d . . . . .
H53 H 0.5363 0.9479 0.1190 0.147 Uiso 1 1 calc R U . . .
C54 C 0.5141(5) 0.8524(7) 0.11539(15) 0.148(4) Uani 1 1 d . . . . .
H54 H 0.4698 0.8360 0.1114 0.178 Uiso 1 1 calc R U . . .
C55 C 0.5399(5) 0.8089(5) 0.11659(14) 0.128(3) Uani 1 1 d . . . . .
H55 H 0.5138 0.7639 0.1131 0.153 Uiso 1 1 calc R U . . .
C56 C 0.6054(4) 0.8348(4) 0.12319(11) 0.099(2) Uani 1 1 d . . . . .
H56 H 0.6233 0.8066 0.1241 0.119 Uiso 1 1 calc R U . . .
P1 P 1.0000 1.0000 0.10191(6) 0.0884(10) Uani 1 3 d S T P . .
P2 P 0.3333 0.6667 0.10122(8) 0.1158(13) Uani 1 3 d S T P . .
F1 F 0.9436(2) 0.9432(2) 0.11553(9) 0.158(2) Uani 1 1 d . . . . .
F2 F 0.94356(19) 0.9984(2) 0.08750(8) 0.1323(16) Uani 1 1 d . . . . .
F3 F 0.3959(2) 0.7113(2) 0.08765(9) 0.1477(18) Uani 1 1 d . . . . .
F4 F 0.3509(3) 0.7295(3) 0.11518(11) 0.190(2) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
F F 0.0171 0.0103 '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'
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
C46 Rh1 C35 89.6(3) . .
C46 Rh1 N6 94.4(2) . .
C35 Rh1 N6 80.4(3) . .
C46 Rh1 N7 80.9(3) . .
C35 Rh1 N7 92.4(3) . .
N6 Rh1 N7 171.5(2) . .
C46 Rh1 N2 97.5(2) . .
C35 Rh1 N2 171.2(2) . .
N6 Rh1 N2 93.9(2) . .
N7 Rh1 N2 93.73(18) . .
C46 Rh1 N1 172.9(2) . .
C35 Rh1 N1 96.6(2) . .
N6 Rh1 N1 90.1(2) . .
N7 Rh1 N1 95.3(2) . .
N2 Rh1 N1 76.60(19) . .
C30 O1 C21 118.1(4) . .
C1 N1 C5 117.8(6) . .
C1 N1 Rh1 128.8(5) . .
C5 N1 Rh1 113.4(4) . .
C6 N2 C7 120.2(5) . .
C6 N2 Rh1 114.2(4) . .
C7 N2 Rh1 125.4(4) . .
C9 N3 C8 123.1(5) . .
C9 N3 C16 114.2(5) . .
C8 N3 C16 122.7(4) . .
C23 N4 C24 119.3(6) . .
C32 N5 C33 121.3(5) . .
C45 N6 C41 117.5(7) . .
C45 N6 Rh1 126.7(5) . .
C41 N6 Rh1 115.8(5) . .
C56 N7 C52 121.2(6) . .
C56 N7 Rh1 124.7(5) . .
C52 N7 Rh1 113.9(5) . .
N1 C1 C2 121.3(7) . .
N1 C1 H1 119.3 . .
C2 C1 H1 119.3 . .
C3 C2 C1 120.2(8) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C2 C3 C4 118.7(8) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C5 C4 C3 118.9(7) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
N1 C5 C4 123.0(6) . .
N1 C5 C6 115.0(5) . .
C4 C5 C6 122.0(7) . .
N2 C6 C5 120.7(6) . .
N2 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
N2 C7 C8 111.8(4) . .
N2 C7 H7A 109.2 . .
C8 C7 H7A 109.2 . .
N2 C7 H7B 109.2 . .
C8 C7 H7B 109.2 . .
H7A C7 H7B 107.9 . .
N3 C8 C7 113.2(5) . .
N3 C8 H8A 108.9 . .
C7 C8 H8A 108.9 . .
N3 C8 H8B 108.9 . .
C7 C8 H8B 108.9 . .
H8A C8 H8B 107.8 . .
O2 C9 N3 124.1(6) . .
O2 C9 C10 129.7(5) . .
N3 C9 C10 106.2(5) . .
C15 C10 C11 120.0(6) . .
C15 C10 C9 109.6(5) . .
C11 C10 C9 130.4(6) . .
C12 C11 C10 118.0(7) . .
C12 C11 H11 121.0 . .
C10 C11 H11 121.0 . .
C11 C12 C13 121.5(7) . .
C11 C12 H12 119.2 . .
C13 C12 H12 119.2 . .
C12 C13 C14 121.8(7) . .
C12 C13 H13 119.1 . .
C14 C13 H13 119.1 . .
C15 C14 C13 117.3(7) . .
C15 C14 H14 121.4 . .
C13 C14 H14 121.4 . .
C14 C15 C10 121.3(6) . .
C14 C15 C16 129.4(6) . .
C10 C15 C16 109.2(5) . .
N3 C16 C20 110.2(4) . .
N3 C16 C29 111.0(4) . .
C20 C16 C29 110.1(4) . .
N3 C16 C15 100.7(4) . .
C20 C16 C15 113.6(5) . .
C29 C16 C15 110.9(4) . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 C23 117.6(6) . .
C19 C18 C17 122.0(6) . .
C23 C18 C17 120.4(6) . .
C18 C19 C20 124.2(6) . .
C18 C19 H19 117.9 . .
C20 C19 H19 117.9 . .
C21 C20 C19 115.7(5) . .
C21 C20 C16 123.0(5) . .
C19 C20 C16 121.2(5) . .
C20 C21 O1 124.0(5) . .
C20 C21 C22 123.0(5) . .
O1 C21 C22 113.0(5) . .
C23 C22 C21 120.2(6) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C22 C23 C18 119.0(6) . .
C22 C23 N4 123.8(6) . .
C18 C23 N4 117.2(6) . .
C25 C24 N4 111.3(7) . .
C25 C24 H24A 109.4 . .
N4 C24 H24A 109.4 . .
C25 C24 H24B 109.4 . .
N4 C24 H24B 109.4 . .
H24A C24 H24B 108.0 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C27 C26 H26A 109.5 . .
C27 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C27 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 C32 117.7(5) . .
C28 C27 C26 122.5(5) . .
C32 C27 C26 119.8(5) . .
C27 C28 C29 125.6(5) . .
C27 C28 H28 117.2 . .
C29 C28 H28 117.2 . .
C30 C29 C28 114.4(5) . .
C30 C29 C16 122.9(5) . .
C28 C29 C16 122.7(5) . .
C31 C30 O1 114.9(5) . .
C31 C30 C29 123.2(5) . .
O1 C30 C29 121.8(5) . .
C30 C31 C32 120.3(6) . .
C30 C31 H31 119.8 . .
C32 C31 H31 119.8 . .
N5 C32 C31 121.9(5) . .
N5 C32 C27 119.3(5) . .
C31 C32 C27 118.8(5) . .
C34' C33 N5 117.9(13) . .
C34 C33 N5 115.1(13) . .
C34' C33 H33C 107.8 . .
N5 C33 H33C 107.8 . .
C34' C33 H33D 107.8 . .
N5 C33 H33D 107.8 . .
H33C C33 H33D 107.2 . .
C34 C33 H33A 108.5 . .
N5 C33 H33A 108.5 . .
C34 C33 H33B 108.5 . .
N5 C33 H33B 108.5 . .
H33A C33 H33B 107.5 . .
C33 C34 H34D 109.5 . .
C33 C34 H34E 109.5 . .
H34D C34 H34E 109.5 . .
C33 C34 H34F 109.5 . .
H34D C34 H34F 109.5 . .
H34E C34 H34F 109.5 . .
C33 C34' H34A 109.5 . .
C33 C34' H34B 109.5 . .
H34A C34' H34B 109.5 . .
C33 C34' H34C 109.5 . .
H34A C34' H34C 109.5 . .
H34B C34' H34C 109.5 . .
C40 C35 C36 117.1(8) . .
C40 C35 Rh1 115.4(6) . .
C36 C35 Rh1 127.5(7) . .
C37 C36 C35 121.9(9) . .
C37 C36 H36 119.0 . .
C35 C36 H36 119.0 . .
C36 C37 C38 116.4(11) . .
C36 C37 H37 121.8 . .
C38 C37 H37 121.8 . .
C39 C38 C37 123.4(11) . .
C39 C38 H38 118.3 . .
C37 C38 H38 118.3 . .
C40 C39 C38 117.6(11) . .
C40 C39 H39 121.2 . .
C38 C39 H39 121.2 . .
C39 C40 C35 123.6(9) . .
C39 C40 C41 121.3(9) . .
C35 C40 C41 115.0(7) . .
N6 C41 C42 118.7(8) . .
N6 C41 C40 113.3(7) . .
C42 C41 C40 128.0(9) . .
C43 C42 C41 121.0(9) . .
C43 C42 H42 119.5 . .
C41 C42 H42 119.5 . .
C44 C43 C42 119.7(9) . .
C44 C43 H43 120.1 . .
C42 C43 H43 120.1 . .
C43 C44 C45 118.0(9) . .
C43 C44 H44 121.0 . .
C45 C44 H44 121.0 . .
N6 C45 C44 125.1(8) . .
N6 C45 H45 117.5 . .
C44 C45 H45 117.5 . .
C47 C46 C51 115.5(6) . .
C47 C46 Rh1 128.4(5) . .
C51 C46 Rh1 115.8(5) . .
C46 C47 C48 122.3(7) . .
C46 C47 H47 118.9 . .
C48 C47 H47 118.9 . .
C49 C48 C47 119.3(8) . .
C49 C48 H48 120.3 . .
C47 C48 H48 120.3 . .
C50 C49 C48 120.8(8) . .
C50 C49 H49 119.6 . .
C48 C49 H49 119.6 . .
C49 C50 C51 118.5(8) . .
C49 C50 H50 120.8 . .
C51 C50 H50 120.8 . .
C50 C51 C46 123.6(7) . .
C50 C51 C52 122.9(7) . .
C46 C51 C52 113.3(6) . .
N7 C52 C53 118.6(8) . .
N7 C52 C51 115.7(6) . .
C53 C52 C51 125.7(8) . .
C54 C53 C52 119.8(9) . .
C54 C53 H53 120.1 . .
C52 C53 H53 120.1 . .
C53 C54 C55 120.6(10) . .
C53 C54 H54 119.7 . .
C55 C54 H54 119.7 . .
C56 C55 C54 118.0(9) . .
C56 C55 H55 121.0 . .
C54 C55 H55 121.0 . .
N7 C56 C55 121.7(8) . .
N7 C56 H56 119.1 . .
C55 C56 H56 119.1 . .
F1 P1 F1 91.6(3) 2_765 3_675
F1 P1 F1 91.6(3) 2_765 .
F1 P1 F1 91.6(3) 3_675 .
F1 P1 F2 177.9(4) 2_765 .
F1 P1 F2 90.4(3) 3_675 .
F1 P1 F2 89.2(3) . .
F1 P1 F2 89.2(3) 2_765 2_765
F1 P1 F2 177.9(4) 3_675 2_765
F1 P1 F2 90.4(3) . 2_765
F2 P1 F2 88.8(3) . 2_765
F1 P1 F2 90.4(3) 2_765 3_675
F1 P1 F2 89.2(3) 3_675 3_675
F1 P1 F2 177.9(3) . 3_675
F2 P1 F2 88.8(3) . 3_675
F2 P1 F2 88.8(3) 2_765 3_675
F3 P2 F3 91.2(4) . 2_665
F3 P2 F3 91.2(4) . 3_565
F3 P2 F3 91.2(4) 2_665 3_565
F3 P2 F4 179.4(4) . 2_665
F3 P2 F4 89.5(3) 2_665 2_665
F3 P2 F4 89.0(3) 3_565 2_665
F3 P2 F4 89.0(3) . 3_565
F3 P2 F4 179.4(4) 2_665 3_565
F3 P2 F4 89.5(3) 3_565 3_565
F4 P2 F4 90.4(4) 2_665 3_565
F3 P2 F4 89.5(3) . .
F3 P2 F4 89.0(3) 2_665 .
F3 P2 F4 179.4(5) 3_565 .
F4 P2 F4 90.4(4) 2_665 .
F4 P2 F4 90.4(4) 3_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C46 1.977(6) .
Rh1 C35 1.988(8) .
Rh1 N6 2.014(6) .
Rh1 N7 2.020(6) .
Rh1 N2 2.161(5) .
Rh1 N1 2.166(5) .
O1 C30 1.383(6) .
O1 C21 1.387(6) .
O2 C9 1.224(7) .
N1 C1 1.326(8) .
N1 C5 1.366(7) .
N2 C6 1.267(6) .
N2 C7 1.465(7) .
N3 C9 1.370(7) .
N3 C8 1.438(7) .
N3 C16 1.478(6) .
N4 C23 1.410(7) .
N4 C24 1.443(9) .
N5 C32 1.387(7) .
N5 C33 1.505(10) .
N6 C45 1.340(9) .
N6 C41 1.391(9) .
N7 C56 1.355(8) .
N7 C52 1.366(8) .
C1 C2 1.402(10) .
C1 H1 0.9300 .
C2 C3 1.359(11) .
C2 H2 0.9300 .
C3 C4 1.379(9) .
C3 H3 0.9300 .
C4 C5 1.366(8) .
C4 H4 0.9300 .
C5 C6 1.453(8) .
C6 H6 0.9300 .
C7 C8 1.549(7) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.465(9) .
C10 C15 1.396(8) .
C10 C11 1.404(8) .
C11 C12 1.347(9) .
C11 H11 0.9300 .
C12 C13 1.367(9) .
C12 H12 0.9300 .
C13 C14 1.393(9) .
C13 H13 0.9300 .
C14 C15 1.357(8) .
C14 H14 0.9300 .
C15 C16 1.530(8) .
C16 C20 1.503(7) .
C16 C29 1.509(7) .
C17 C18 1.513(9) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.383(8) .
C18 C23 1.399(8) .
C19 C20 1.385(7) .
C19 H19 0.9300 .
C20 C21 1.339(7) .
C21 C22 1.393(7) .
C22 C23 1.366(8) .
C22 H22 0.9300 .
C24 C25 1.438(10) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 C27 1.495(7) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.359(7) .
C27 C32 1.413(7) .
C28 C29 1.409(7) .
C28 H28 0.9300 .
C29 C30 1.385(7) .
C30 C31 1.370(7) .
C31 C32 1.402(7) .
C31 H31 0.9300 .
C33 C34' 1.317(17) .
C33 C34 1.320(16) .
C33 H33C 0.9700 .
C33 H33D 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34D 0.9600 .
C34 H34E 0.9600 .
C34 H34F 0.9600 .
C34' H34A 0.9600 .
C34' H34B 0.9600 .
C34' H34C 0.9600 .
C35 C40 1.399(10) .
C35 C36 1.401(10) .
C36 C37 1.394(12) .
C36 H36 0.9300 .
C37 C38 1.408(14) .
C37 H37 0.9300 .
C38 C39 1.377(14) .
C38 H38 0.9300 .
C39 C40 1.349(11) .
C39 H39 0.9300 .
C40 C41 1.441(10) .
C41 C42 1.413(10) .
C42 C43 1.384(13) .
C42 H42 0.9300 .
C43 C44 1.352(12) .
C43 H43 0.9300 .
C44 C45 1.386(9) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 C47 1.390(8) .
C46 C51 1.391(8) .
C47 C48 1.398(9) .
C47 H47 0.9300 .
C48 C49 1.375(11) .
C48 H48 0.9300 .
C49 C50 1.369(10) .
C49 H49 0.9300 .
C50 C51 1.390(9) .
C50 H50 0.9300 .
C51 C52 1.446(9) .
C52 C53 1.419(10) .
C53 C54 1.371(12) .
C53 H53 0.9300 .
C54 C55 1.400(12) .
C54 H54 0.9300 .
C55 C56 1.383(10) .
C55 H55 0.9300 .
C56 H56 0.9300 .
P1 F1 1.574(5) 2_765
P1 F1 1.574(5) 3_675
P1 F1 1.574(5) .
P1 F2 1.587(4) .
P1 F2 1.587(4) 2_765
P1 F2 1.587(4) 3_675
P2 F3 1.557(5) .
P2 F3 1.557(5) 2_665
P2 F3 1.557(5) 3_565
P2 F4 1.579(6) 2_665
P2 F4 1.579(6) 3_565
P2 F4 1.579(6) .
