#------------------------------------------------------------------------------
#$Date: 2015-10-09 13:34:48 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161653 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/59/7035912.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_7035912
loop_
_publ_author_name
'Itoh, Takahiro'
'Kondo, Mio'
'Sakamoto, Hirotoshi'
'Wakabayashi, Kaori'
'Kanaike, Mari'
'Itami, Kenichiro'
'Masaoka, Shigeyuki'
_publ_section_title
;
 Porous frameworks constructed by non-covalent linking of
 substitution-inert metal complexes.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15334
_journal_page_last               15342
_journal_paper_doi               10.1039/c5dt01620g
_journal_volume                  44
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C80 H50 F20 N2 O8 Rh2, C4 O, 2(C4 H10 O)'
_chemical_formula_sum            'C92 H70 F20 N2 O11 Rh2'
_chemical_formula_weight         1965.32
_chemical_name_systematic
;
Rh_2_ppeb_4_AD
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-02-23T16:11:23-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-02-23 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                103.64578(146)
_cell_angle_beta                 93.15192(145)
_cell_angle_gamma                94.03124(156)
_cell_formula_units_Z            1
_cell_length_a                   10.86247(82)
_cell_length_b                   13.88266(97)
_cell_length_c                   14.92173(107)
_cell_measurement_reflns_used    12871
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.02
_cell_measurement_wavelength     0.710747
_cell_volume                     2175.3(3)
_computing_cell_refinement       'RAPID AUTO (Rigaku)'
_computing_data_collection       'RAPID AUTO (Rigaku)'
_computing_data_reduction        'RAPID AUTO (Rigaku)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21333
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.483
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1955)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.5
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             994
_exptl_crystal_size_max          0.273
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.014
_refine_diff_density_max         1.296
_refine_diff_density_min         -0.888
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         9889
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1014P)²+0.0553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1511
_reflns_number_gt                8336
_reflns_number_total             9889
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c5dt01620g2.cif
_cod_data_source_block           140728rh2l4_1-adnh2
_cod_depositor_comments
'Adding full bibliography for 7035910--7035912.cif.'
_cod_original_cell_volume        2175.32(27)
_cod_database_code               7035912
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
C1 C -0.1179(3) 0.3675(2) -0.1363(2) 0.0287(6) Uani 1 1 d .
C2 C -0.1987(3) 0.2912(2) -0.2063(2) 0.0310(7) Uani 1 1 d .
C3 C -0.2131(3) 0.1938(2) -0.1975(2) 0.0370(8) Uani 1 1 d .
H3 H -0.163 0.1739 -0.1538 0.044 Uiso 1 1 calc R
C4 C -0.3008(4) 0.1265(2) -0.2529(3) 0.0404(8) Uani 1 1 d .
H4 H -0.3106 0.0618 -0.2456 0.048 Uiso 1 1 calc R
C5 C -0.3752(3) 0.1545(2) -0.3201(2) 0.0356(7) Uani 1 1 d .
C6 C -0.3541(3) 0.2500(2) -0.3344(2) 0.0360(7) Uani 1 1 d .
H6 H -0.399 0.2678 -0.382 0.043 Uiso 1 1 calc R
C7 C -0.2667(3) 0.3184(2) -0.2781(2) 0.0327(7) Uani 1 1 d .
H7 H -0.2531 0.3819 -0.2877 0.039 Uiso 1 1 calc R
C8 C -0.4778(4) 0.0882(2) -0.3686(2) 0.0383(8) Uani 1 1 d .
C9 C -0.5668(4) 0.0339(2) -0.4023(2) 0.0374(7) Uani 1 1 d .
C10 C -0.6760(4) -0.0293(3) -0.4385(2) 0.0387(8) Uani 1 1 d .
C11 C -0.7025(5) -0.1179(3) -0.4106(4) 0.0612(13) Uani 1 1 d .
C12 C -0.8063(7) -0.1765(4) -0.4428(6) 0.096(3) Uani 1 1 d .
C13 C -0.8874(6) -0.1528(6) -0.5050(6) 0.108(3) Uani 1 1 d .
C14 C -0.8659(5) -0.0659(6) -0.5359(4) 0.089(2) Uani 1 1 d .
C15 C -0.7596(4) -0.0051(4) -0.5011(3) 0.0524(10) Uani 1 1 d .
C16 C -0.1776(3) 0.4733(2) 0.1049(2) 0.0282(6) Uani 1 1 d .
C17 C -0.2769(3) 0.4628(2) 0.1680(2) 0.0291(6) Uani 1 1 d .
C18 C -0.2790(3) 0.3858(3) 0.2137(3) 0.0370(7) Uani 1 1 d .
H18 H -0.2196 0.3401 0.2038 0.044 Uiso 1 1 calc R
C19 C -0.3693(3) 0.3779(3) 0.2734(3) 0.0380(7) Uani 1 1 d .
H19 H -0.3704 0.3265 0.3037 0.046 Uiso 1 1 calc R
C20 C -0.4587(3) 0.4457(3) 0.2892(2) 0.0344(7) Uani 1 1 d .
C21 C -0.4569(3) 0.5220(3) 0.2421(3) 0.0385(8) Uani 1 1 d .
H21 H -0.5168 0.5674 0.2512 0.046 Uiso 1 1 calc R
C22 C -0.3666(3) 0.5297(2) 0.1821(2) 0.0357(7) Uani 1 1 d .
H22 H -0.3659 0.5804 0.1509 0.043 Uiso 1 1 calc R
C23 C -0.5478(3) 0.4402(3) 0.3558(2) 0.0397(8) Uani 1 1 d .
C24 C -0.6177(4) 0.4337(3) 0.4133(3) 0.0429(8) Uani 1 1 d .
C25 C -0.6998(4) 0.4255(3) 0.4833(2) 0.0389(8) Uani 1 1 d .
C26 C -0.6918(4) 0.3507(3) 0.5314(3) 0.0448(9) Uani 1 1 d .
C27 C -0.7707(4) 0.3423(3) 0.5986(3) 0.0494(10) Uani 1 1 d .
C28 C -0.8591(4) 0.4080(3) 0.6205(3) 0.0504(10) Uani 1 1 d .
C29 C -0.8681(4) 0.4825(3) 0.5758(3) 0.0561(11) Uani 1 1 d .
C30 C -0.7905(4) 0.4903(3) 0.5067(3) 0.0486(10) Uani 1 1 d .
C31 C 0.1556(3) 0.2563(2) 0.1211(2) 0.0307(7) Uani 1 1 d .
C32 C 0.1264(4) 0.3136(2) 0.2178(2) 0.0369(7) Uani 1 1 d .
H32A H 0.1969 0.3593 0.2466 0.044 Uiso 1 1 calc R
H32B H 0.0562 0.3521 0.2128 0.044 Uiso 1 1 calc R
C33 C 0.0967(4) 0.2398(3) 0.2773(3) 0.0461(9) Uani 1 1 d .
H33 H 0.078 0.2765 0.3389 0.055 Uiso 1 1 calc R
C34 C 0.2077(4) 0.1796(3) 0.2863(3) 0.0539(11) Uani 1 1 d .
H34A H 0.2789 0.224 0.316 0.065 Uiso 1 1 calc R
H34B H 0.1888 0.1333 0.3242 0.065 Uiso 1 1 calc R
C35 C 0.2371(4) 0.1226(3) 0.1903(3) 0.0494(10) Uani 1 1 d .
H35 H 0.3085 0.0844 0.1957 0.059 Uiso 1 1 calc R
C36 C 0.1249(4) 0.0517(3) 0.1440(3) 0.0506(10) Uani 1 1 d .
H36A H 0.1058 0.0042 0.1806 0.061 Uiso 1 1 calc R
H36B H 0.1437 0.0152 0.0831 0.061 Uiso 1 1 calc R
C37 C 0.0128(4) 0.1117(2) 0.1353(3) 0.0413(8) Uani 1 1 d .
H37 H -0.059 0.0663 0.1061 0.05 Uiso 1 1 calc R
C38 C 0.0433(4) 0.1857(2) 0.0761(2) 0.0354(7) Uani 1 1 d .
H38A H 0.0606 0.1499 0.0146 0.042 Uiso 1 1 calc R
H38B H -0.0272 0.2236 0.0703 0.042 Uiso 1 1 calc R
C39 C -0.0158(4) 0.1687(3) 0.2320(3) 0.0455(9) Uani 1 1 d .
H39A H -0.087 0.2061 0.2274 0.055 Uiso 1 1 calc R
H39B H -0.0352 0.1222 0.2696 0.055 Uiso 1 1 calc R
C40 C 0.2667(4) 0.1967(3) 0.1307(3) 0.0422(8) Uani 1 1 d .
H40A H 0.338 0.2417 0.1592 0.051 Uiso 1 1 calc R
H40B H 0.2868 0.1608 0.0699 0.051 Uiso 1 1 calc R
C41 C -0.4819(5) 0.3211(5) -0.0138(4) 0.0807(16) Uani 1 1 d .
H41A H -0.5148 0.3825 -0.0174 0.121 Uiso 1 1 calc R
H41B H -0.3931 0.3296 -0.01 0.121 Uiso 1 1 calc R
H41C H -0.5087 0.3019 0.0403 0.121 Uiso 1 1 calc R
C42 C -0.5269(4) 0.2424(4) -0.0975(3) 0.0630(12) Uani 1 1 d .
H42A H -0.4994 0.2615 -0.1522 0.076 Uiso 1 1 calc R
H42B H -0.4922 0.1806 -0.0946 0.076 Uiso 1 1 calc R
C43 C -0.7047(5) 0.1608(3) -0.1877(3) 0.0581(11) Uani 1 1 d .
H43A H -0.6745 0.0961 -0.1907 0.07 Uiso 1 1 calc R
H43B H -0.6763 0.1844 -0.2398 0.07 Uiso 1 1 calc R
C44 C -0.8434(5) 0.1517(5) -0.1929(4) 0.0762(15) Uani 1 1 d .
H44A H -0.8714 0.1205 -0.1458 0.114 Uiso 1 1 calc R
H44B H -0.8748 0.112 -0.2526 0.114 Uiso 1 1 calc R
H44C H -0.8728 0.2166 -0.1837 0.114 Uiso 1 1 calc R
C45 C -0.4525(14) 0.0584(10) 0.0729(11) 0.089(4) Uani 0.5 1 d P
C46 C -0.3199(13) 0.0927(13) 0.0876(13) 0.110(6) Uani 0.5 1 d P
C47 C -0.3961(15) 0.0403(11) 0.0407(14) 0.110(6) Uani 0.5 1 d P
C48 C -0.3823(17) 0.1089(12) 0.1369(14) 0.128(8) Uani 0.5 1 d P
N1 N 0.1820(3) 0.3274(2) 0.0648(2) 0.0288(6) Uani 1 1 d .
O1 O -0.0405(2) 0.33629(15) -0.08655(15) 0.0296(5) Uani 1 1 d .
O2 O -0.1399(2) 0.45784(15) -0.13081(15) 0.0292(5) Uani 1 1 d .
O3 O -0.0897(2) 0.41761(16) 0.10269(15) 0.0295(5) Uani 1 1 d .
O4 O -0.1895(2) 0.53907(15) 0.05889(15) 0.0288(4) Uani 1 1 d .
O5 O -0.6578(3) 0.2279(2) -0.10433(19) 0.0511(7) Uani 1 1 d .
O6 O -0.5 0 0 0.162(5) Uani 1 2 d S
F1 F -0.6220(4) -0.1429(2) -0.3512(2) 0.0918(11) Uani 1 1 d .
F2 F -0.8323(5) -0.2597(3) -0.4145(4) 0.164(3) Uani 1 1 d .
F3 F -0.9926(4) -0.2113(4) -0.5362(4) 0.160(2) Uani 1 1 d U
F4 F -0.9449(3) -0.0403(4) -0.5962(3) 0.147(2) Uani 1 1 d .
F5 F -0.7373(3) 0.0784(2) -0.52919(19) 0.0744(8) Uani 1 1 d .
F6 F -0.6043(3) 0.2874(2) 0.51214(19) 0.0632(7) Uani 1 1 d .
F7 F -0.7609(3) 0.2700(2) 0.64309(19) 0.0748(8) Uani 1 1 d .
F8 F -0.9352(3) 0.3996(2) 0.68631(17) 0.0707(8) Uani 1 1 d .
F9 F -0.9538(3) 0.5483(2) 0.5983(2) 0.0820(9) Uani 1 1 d .
F10 F -0.8026(3) 0.5635(2) 0.4626(2) 0.0735(9) Uani 1 1 d .
Rh1 Rh 0.05403(2) 0.435865(15) 0.023406(15) 0.02408(10) Uani 1 1 d .
H1 H 0.205(3) 0.295(2) 0.022(2) 0.016(8) Uiso 1 1 d .
H2 H 0.244(4) 0.367(3) 0.088(3) 0.032(10) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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 0.006 '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'
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
O1 C1 O2 127.2(3) . .
O1 C1 C2 117.1(3) . .
O2 C1 C2 115.6(3) . .
C3 C2 C7 119.4(3) . .
C3 C2 C1 119.9(3) . .
C7 C2 C1 120.6(3) . .
C4 C3 C2 120.5(3) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.6(3) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C4 C5 C6 119.1(3) . .
C4 C5 C8 120.0(3) . .
C6 C5 C8 120.7(3) . .
C7 C6 C5 120.4(3) . .
C7 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
C6 C7 C2 119.7(3) . .
C6 C7 H7 120.2 . .
C2 C7 H7 120.2 . .
C9 C8 C5 174.8(4) . .
C8 C9 C10 177.2(4) . .
C15 C10 C11 118.0(4) . .
C15 C10 C9 121.3(4) . .
C11 C10 C9 120.7(4) . .
F1 C11 C12 120.3(6) . .
F1 C11 C10 118.7(4) . .
C12 C11 C10 121.0(6) . .
F2 C12 C11 120.8(9) . .
F2 C12 C13 118.5(7) . .
C11 C12 C13 120.7(6) . .
F3 C13 C12 120.5(9) . .
F3 C13 C14 118.6(9) . .
C12 C13 C14 121.0(5) . .
F4 C14 C15 119.9(7) . .
F4 C14 C13 122.2(6) . .
C15 C14 C13 117.9(6) . .
F5 C15 C14 119.0(5) . .
F5 C15 C10 119.6(4) . .
C14 C15 C10 121.4(5) . .
O3 C16 O4 126.3(3) . .
O3 C16 C17 117.7(3) . .
O4 C16 C17 116.0(3) . .
C22 C17 C18 119.8(3) . .
C22 C17 C16 120.2(3) . .
C18 C17 C16 120.1(3) . .
C19 C18 C17 119.7(3) . .
C19 C18 H18 120.1 . .
C17 C18 H18 120.1 . .
C18 C19 C20 121.0(3) . .
C18 C19 H19 119.5 . .
C20 C19 H19 119.5 . .
C19 C20 C21 118.9(3) . .
C19 C20 C23 120.5(3) . .
C21 C20 C23 120.6(3) . .
C22 C21 C20 120.1(3) . .
C22 C21 H21 120 . .
C20 C21 H21 120 . .
C21 C22 C17 120.5(3) . .
C21 C22 H22 119.7 . .
C17 C22 H22 119.7 . .
C24 C23 C20 176.8(4) . .
C23 C24 C25 179.0(4) . .
C30 C25 C26 116.9(3) . .
C30 C25 C24 122.1(4) . .
C26 C25 C24 121.0(4) . .
F6 C26 C27 119.7(4) . .
F6 C26 C25 119.0(4) . .
C27 C26 C25 121.3(4) . .
F7 C27 C28 119.8(4) . .
F7 C27 C26 119.9(4) . .
C28 C27 C26 120.4(4) . .
F8 C28 C29 120.2(4) . .
F8 C28 C27 120.0(4) . .
C29 C28 C27 119.8(4) . .
F9 C29 C28 119.9(4) . .
F9 C29 C30 120.0(4) . .
C28 C29 C30 120.1(4) . .
F10 C30 C25 119.4(3) . .
F10 C30 C29 119.0(4) . .
C25 C30 C29 121.5(4) . .
N1 C31 C38 109.1(3) . .
N1 C31 C40 111.0(3) . .
C38 C31 C40 109.8(3) . .
N1 C31 C32 108.9(3) . .
C38 C31 C32 109.2(3) . .
C40 C31 C32 108.9(3) . .
C33 C32 C31 109.5(3) . .
C33 C32 H32A 109.8 . .
C31 C32 H32A 109.8 . .
C33 C32 H32B 109.8 . .
C31 C32 H32B 109.8 . .
H32A C32 H32B 108.2 . .
C39 C33 C34 109.3(3) . .
C39 C33 C32 109.5(3) . .
C34 C33 C32 110.0(4) . .
C39 C33 H33 109.3 . .
C34 C33 H33 109.3 . .
C32 C33 H33 109.3 . .
C35 C34 C33 109.3(3) . .
C35 C34 H34A 109.8 . .
C33 C34 H34A 109.8 . .
C35 C34 H34B 109.8 . .
C33 C34 H34B 109.8 . .
H34A C34 H34B 108.3 . .
C34 C35 C36 109.7(4) . .
C34 C35 C40 109.4(3) . .
C36 C35 C40 108.9(3) . .
C34 C35 H35 109.6 . .
C36 C35 H35 109.6 . .
C40 C35 H35 109.6 . .
C35 C36 C37 109.6(3) . .
C35 C36 H36A 109.7 . .
C37 C36 H36A 109.7 . .
C35 C36 H36B 109.7 . .
C37 C36 H36B 109.7 . .
H36A C36 H36B 108.2 . .
C39 C37 C38 109.5(3) . .
C39 C37 C36 109.1(3) . .
C38 C37 C36 109.4(3) . .
C39 C37 H37 109.6 . .
C38 C37 H37 109.6 . .
C36 C37 H37 109.6 . .
C31 C38 C37 109.8(3) . .
C31 C38 H38A 109.7 . .
C37 C38 H38A 109.7 . .
C31 C38 H38B 109.7 . .
C37 C38 H38B 109.7 . .
H38A C38 H38B 108.2 . .
C33 C39 C37 109.4(3) . .
C33 C39 H39A 109.8 . .
C37 C39 H39A 109.8 . .
C33 C39 H39B 109.8 . .
C37 C39 H39B 109.8 . .
H39A C39 H39B 108.2 . .
C31 C40 C35 110.1(3) . .
C31 C40 H40A 109.6 . .
C35 C40 H40A 109.6 . .
C31 C40 H40B 109.6 . .
C35 C40 H40B 109.6 . .
H40A C40 H40B 108.1 . .
C42 C41 H41A 109.5 . .
C42 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C42 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O5 C42 C41 110.6(4) . .
O5 C42 H42A 109.5 . .
C41 C42 H42A 109.5 . .
O5 C42 H42B 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 108.1 . .
O5 C43 C44 109.9(4) . .
O5 C43 H43A 109.7 . .
C44 C43 H43A 109.7 . .
O5 C43 H43B 109.7 . .
C44 C43 H43B 109.7 . .
H43A C43 H43B 108.2 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C47 C45 C48 93(2) . .
C47 C45 O6 72.8(16) . .
C48 C45 O6 166.1(17) . .
C47 C45 C46 50.8(16) . .
C48 C45 C46 43.4(12) . .
O6 C45 C46 123.3(15) . .
C48 C46 C47 88.5(18) . .
C48 C46 C45 55.7(12) . .
C47 C46 C45 33.5(10) . .
C45 C47 C46 96(2) . .
C45 C47 O6 69.6(17) . .
C46 C47 O6 164.0(17) . .
C45 C47 C48 54.0(17) . .
C46 C47 C48 42.4(12) . .
O6 C47 C48 123.6(16) . .
C46 C48 C45 80.9(16) . .
C46 C48 C47 49.0(12) . .
C45 C48 C47 32.5(9) . .
C31 N1 Rh1 128.0(2) . .
C31 N1 H1 103(2) . .
Rh1 N1 H1 109(2) . .
C31 N1 H2 111(3) . .
Rh1 N1 H2 99(3) . .
H1 N1 H2 103(4) . .
C1 O1 Rh1 118.75(18) . .
C1 O2 Rh1 117.86(19) . 2_565
C16 O3 Rh1 118.89(19) . .
C16 O4 Rh1 118.8(2) . 2_565
C43 O5 C42 112.3(3) . .
C45 O6 C45 180(2) 2_455 .
C45 O6 C47 37.6(9) 2_455 2_455
C45 O6 C47 142.4(9) . 2_455
C45 O6 C47 142.4(9) 2_455 .
C45 O6 C47 37.6(9) . .
C47 O6 C47 180(2) 2_455 .
O4 Rh1 O2 90.40(9) 2_565 2_565
O4 Rh1 O3 175.87(7) 2_565 .
O2 Rh1 O3 89.92(10) 2_565 .
O4 Rh1 O1 90.16(10) 2_565 .
O2 Rh1 O1 175.90(7) 2_565 .
O3 Rh1 O1 89.23(10) . .
O4 Rh1 N1 84.53(10) 2_565 .
O2 Rh1 N1 87.31(10) 2_565 .
O3 Rh1 N1 99.60(10) . .
O1 Rh1 N1 96.79(10) . .
O4 Rh1 Rh1 88.30(6) 2_565 2_565
O2 Rh1 Rh1 88.51(6) 2_565 2_565
O3 Rh1 Rh1 87.60(6) . 2_565
O1 Rh1 Rh1 87.45(6) . 2_565
N1 Rh1 Rh1 171.66(8) . 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.257(4) .
C1 O2 1.278(3) .
C1 C2 1.493(4) .
C2 C3 1.389(4) .
C2 C7 1.406(4) .
C3 C4 1.373(5) .
C3 H3 0.93 .
C4 C5 1.396(5) .
C4 H4 0.93 .
C5 C6 1.397(5) .
C5 C8 1.437(5) .
C6 C7 1.384(5) .
C6 H6 0.93 .
C7 H7 0.93 .
C8 C9 1.192(5) .
C9 C10 1.425(5) .
C10 C15 1.381(6) .
C10 C11 1.405(6) .
C11 F1 1.332(7) .
C11 C12 1.338(8) .
C12 F2 1.338(8) .
C12 C13 1.357(12) .
C13 F3 1.346(6) .
C13 C14 1.399(12) .
C14 F4 1.334(8) .
C14 C15 1.381(7) .
C15 F5 1.334(6) .
C16 O3 1.267(4) .
C16 O4 1.275(4) .
C16 C17 1.492(4) .
C17 C22 1.384(4) .
C17 C18 1.396(5) .
C18 C19 1.377(5) .
C18 H18 0.93 .
C19 C20 1.390(5) .
C19 H19 0.93 .
C20 C21 1.403(5) .
C20 C23 1.435(5) .
C21 C22 1.379(5) .
C21 H21 0.93 .
C22 H22 0.93 .
C23 C24 1.192(5) .
C24 C25 1.430(5) .
C25 C30 1.383(6) .
C25 C26 1.400(6) .
C26 F6 1.337(5) .
C26 C27 1.374(6) .
C27 F7 1.335(5) .
C27 C28 1.371(7) .
C28 F8 1.339(5) .
C28 C29 1.363(7) .
C29 F9 1.350(6) .
C29 C30 1.386(6) .
C30 F10 1.344(5) .
C31 N1 1.463(4) .
C31 C38 1.527(5) .
C31 C40 1.530(5) .
C31 C32 1.536(5) .
C32 C33 1.536(5) .
C32 H32A 0.97 .
C32 H32B 0.97 .
C33 C39 1.532(6) .
C33 C34 1.532(6) .
C33 H33 0.98 .
C34 C35 1.527(6) .
C34 H34A 0.97 .
C34 H34B 0.97 .
C35 C36 1.533(6) .
C35 C40 1.539(5) .
C35 H35 0.98 .
C36 C37 1.539(6) .
C36 H36A 0.97 .
C36 H36B 0.97 .
C37 C39 1.534(5) .
C37 C38 1.536(5) .
C37 H37 0.98 .
C38 H38A 0.97 .
C38 H38B 0.97 .
C39 H39A 0.97 .
C39 H39B 0.97 .
C40 H40A 0.97 .
C40 H40B 0.97 .
C41 C42 1.486(7) .
C41 H41A 0.96 .
C41 H41B 0.96 .
C41 H41C 0.96 .
C42 O5 1.417(6) .
C42 H42A 0.97 .
C42 H42B 0.97 .
C43 O5 1.412(5) .
C43 C44 1.499(7) .
C43 H43A 0.97 .
C43 H43B 0.97 .
C44 H44A 0.96 .
C44 H44B 0.96 .
C44 H44C 0.96 .
C45 C47 0.816(19) .
C45 C48 1.231(19) .
C45 O6 1.253(14) .
C45 C46 1.47(2) .
C46 C48 1.02(2) .
C46 C47 1.147(18) .
C47 O6 1.277(15) .
C47 C48 1.52(2) .
N1 Rh1 2.285(3) .
N1 H1 0.76(3) .
N1 H2 0.84(4) .
O1 Rh1 2.050(2) .
O2 Rh1 2.035(2) 2_565
O3 Rh1 2.047(2) .
O4 Rh1 2.030(2) 2_565
O6 C45 1.253(14) 2_455
O6 C47 1.277(15) 2_455
Rh1 O4 2.030(2) 2_565
Rh1 O2 2.035(2) 2_565
Rh1 Rh1 2.4140(7) 2_565
