#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:26:17 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179019 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/17/4121765.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_4121765
loop_
_publ_author_name
'Mitsumi, Minoru'
'Nishitani, Takashi'
'Yamasaki, Shota'
'Shimada, Nayuta'
'Komatsu, Yuuki'
'Toriumi, Koshiro'
'Kitagawa, Yasutaka'
'Okumura, Mitsutaka'
'Miyazaki, Yuji'
'Górska, Natalia'
'Inaba, Akira'
'Kanda, Akinori'
'Hanasaki, Noriaki'
_publ_section_title
;
 Bistable Multifunctionality and Switchable Strong
 Ferromagnetic-to-Antiferromagnetic Coupling in a One-Dimensional
 Rhodium(I)-Semiquinonato Complex.
;
_journal_issue                   19
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7026
_journal_page_last               7037
_journal_paper_doi               10.1021/ja5017014
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C18 H24 O6 Rh'
_chemical_formula_sum            'C18 H24 O6 Rh'
_chemical_formula_weight         439.28
_chemical_name_common            '[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.449(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.0396(8)
_cell_length_b                   29.968(4)
_cell_length_c                   21.239(3)
_cell_measurement_reflns_used    8712
_cell_measurement_temperature    162(1)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.1001
_cell_volume                     3811.7(9)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97 (A. Altomare, 1999)'
_diffrn_ambient_temperature      162(1)
_diffrn_detector_area_resol_mean 14.7059
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27013
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.10
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.9235
_exptl_absorpt_correction_T_min  0.8379
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.836
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.214
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         8399
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.214
_refine_ls_R_factor_all          0.0960
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+10.0598P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                6763
_reflns_number_total             8399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5017014_si_002.cif
_cod_data_source_block           publication_[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]_162K
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 4121764--4121765.cif.
;
_cod_original_cell_volume        3811.6(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4121765
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.13899(7) 0.097796(12) 0.13627(2) 0.01892(11) Uani 1 1 d . . .
Rh2 Rh 0.64364(7) 0.090918(13) 0.14146(2) 0.02015(11) Uani 1 1 d . . .
O1 O 0.1251(6) 0.15786(12) 0.17861(17) 0.0226(8) Uani 1 1 d . . .
O2 O 0.1172(6) 0.13885(11) 0.06003(17) 0.0218(8) Uani 1 1 d . . .
O3 O 0.0153(7) 0.29322(13) 0.0062(2) 0.0363(10) Uani 1 1 d . . .
O4 O 0.0291(8) 0.31279(13) 0.1266(2) 0.0376(10) Uani 1 1 d . . .
O5 O 0.1605(7) 0.04341(15) 0.2551(2) 0.0363(10) Uani 1 1 d . . .
O6 O 0.1583(8) 0.01340(15) 0.0608(2) 0.0475(12) Uani 1 1 d . . .
O7 O 0.6775(6) 0.09557(11) 0.23755(17) 0.0226(8) Uani 1 1 d . . .
O8 O 0.6548(6) 0.02573(12) 0.16619(18) 0.0259(8) Uani 1 1 d . . .
O9 O 0.6140(7) -0.06826(14) 0.3441(2) 0.0396(11) Uani 1 1 d . . .
O10 O 0.5744(8) 0.00367(14) 0.4151(2) 0.0393(11) Uani 1 1 d . . .
O11 O 0.5972(7) 0.18892(13) 0.1145(2) 0.0381(11) Uani 1 1 d . . .
O12 O 0.6229(9) 0.07152(17) 0.0024(2) 0.0489(12) Uani 1 1 d . . .
C1 C 0.0992(8) 0.19225(16) 0.1390(2) 0.0198(10) Uani 1 1 d . . .
C2 C 0.1043(8) 0.18137(16) 0.0732(2) 0.0193(10) Uani 1 1 d . . .
C3 C 0.0903(8) 0.21498(17) 0.0249(2) 0.0207(10) Uani 1 1 d . . .
C4 C 0.0559(9) 0.25747(18) 0.0471(3) 0.0264(12) Uani 1 1 d . . .
C5 C 0.0559(10) 0.26813(18) 0.1129(3) 0.0293(12) Uani 1 1 d . . .
C6 C 0.0696(10) 0.23662(17) 0.1608(3) 0.0261(12) Uani 1 1 d . A .
C7 C 0.1173(9) 0.20136(18) -0.0436(3) 0.0253(12) Uani 1 1 d . . .
C8 C 0.3356(11) 0.1750(2) -0.0433(3) 0.0425(17) Uani 1 1 d . . .
H1 H 0.3207 0.1459 -0.0234 0.064 Uiso 1 1 calc R . .
H2 H 0.4585 0.1916 -0.0192 0.064 Uiso 1 1 calc R . .
H3 H 0.3670 0.1708 -0.0870 0.064 Uiso 1 1 calc R . .
C9 C 0.1352(14) 0.2410(2) -0.0883(3) 0.0500(19) Uani 1 1 d . . .
H4 H 0.1633 0.2301 -0.1300 0.075 Uiso 1 1 calc R . .
H5 H 0.2585 0.2604 -0.0706 0.075 Uiso 1 1 calc R . .
H6 H -0.0048 0.2580 -0.0928 0.075 Uiso 1 1 calc R . .
C10 C -0.0792(11) 0.1726(3) -0.0721(3) 0.0431(16) Uani 1 1 d . . .
H7 H -0.2175 0.1900 -0.0744 0.065 Uiso 1 1 calc R . .
H8 H -0.0905 0.1463 -0.0454 0.065 Uiso 1 1 calc R . .
H9 H -0.0558 0.1631 -0.1149 0.065 Uiso 1 1 calc R . .
C11 C 0.0405(12) 0.2473(2) 0.2304(3) 0.0426(16) Uani 1 1 d . . .
C12A C -0.003(4) 0.2896(5) 0.2557(8) 0.058(6) Uani 0.459(15) 1 d P A 1
H10 H -0.0319 0.2861 0.2998 0.088 Uiso 0.47 1 calc PR A 1
H11 H -0.1337 0.3029 0.2305 0.088 Uiso 0.47 1 calc PR A 1
H12 H 0.1269 0.3090 0.2544 0.088 Uiso 0.47 1 calc PR A 1
C12B C 0.035(4) 0.2128(5) 0.2733(6) 0.076(8) Uani 0.541(15) 1 d P A 2
H13 H 0.0011 0.2247 0.3140 0.113 Uiso 0.53 1 calc PR A 2
H14 H 0.1802 0.1978 0.2796 0.113 Uiso 0.53 1 calc PR A 2
H15 H -0.0810 0.1913 0.2569 0.113 Uiso 0.53 1 calc PR A 2
C13A C -0.162(3) 0.2155(5) 0.2504(7) 0.038(4) Uani 0.459(15) 1 d P A 1
H16 H -0.1303 0.1842 0.2415 0.057 Uiso 0.47 1 calc PR A 1
H17 H -0.3038 0.2243 0.2259 0.057 Uiso 0.47 1 calc PR A 1
H18 H -0.1718 0.2190 0.2959 0.057 Uiso 0.47 1 calc PR A 1
C13B C 0.221(3) 0.2848(5) 0.2538(6) 0.048(4) Uani 0.541(15) 1 d P A 2
H19 H 0.2085 0.2925 0.2981 0.072 Uiso 0.53 1 calc PR A 2
H20 H 0.1930 0.3114 0.2272 0.072 Uiso 0.53 1 calc PR A 2
H21 H 0.3709 0.2734 0.2507 0.072 Uiso 0.53 1 calc PR A 2
C14A C 0.249(3) 0.2249(6) 0.2748(7) 0.054(5) Uani 0.459(15) 1 d P A 1
H22 H 0.2328 0.2299 0.3196 0.081 Uiso 0.47 1 calc PR A 1
H23 H 0.3888 0.2386 0.2654 0.081 Uiso 0.47 1 calc PR A 1
H24 H 0.2527 0.1928 0.2664 0.081 Uiso 0.47 1 calc PR A 1
C14B C -0.190(2) 0.2745(4) 0.2242(6) 0.041(4) Uani 0.541(15) 1 d P A 2
H25 H -0.3107 0.2558 0.2036 0.061 Uiso 0.53 1 calc PR A 2
H26 H -0.1766 0.3014 0.1986 0.061 Uiso 0.53 1 calc PR A 2
H27 H -0.2221 0.2831 0.2665 0.061 Uiso 0.53 1 calc PR A 2
C15 C -0.2180(12) 0.3048(2) -0.0060(3) 0.0483(18) Uani 1 1 d . . .
H28 H -0.2992 0.2814 -0.0317 0.073 Uiso 1 1 calc R . .
H29 H -0.2346 0.3332 -0.0291 0.073 Uiso 1 1 calc R . .
H30 H -0.2789 0.3078 0.0344 0.073 Uiso 1 1 calc R . .
C16 C 0.2212(13) 0.3398(2) 0.1197(5) 0.062(2) Uani 1 1 d . . .
H31 H 0.3550 0.3258 0.1424 0.094 Uiso 1 1 calc R . .
H32 H 0.2015 0.3695 0.1375 0.094 Uiso 1 1 calc R . .
H33 H 0.2381 0.3426 0.0746 0.094 Uiso 1 1 calc R . .
C17 C 0.1527(9) 0.06372(18) 0.2102(3) 0.0246(11) Uani 1 1 d . . .
C18 C 0.1516(10) 0.04478(19) 0.0901(3) 0.0296(12) Uani 1 1 d . . .
C19 C 0.6704(9) 0.05676(17) 0.2667(3) 0.0217(11) Uani 1 1 d . . .
C20 C 0.6646(8) 0.01814(17) 0.2271(3) 0.0209(10) Uani 1 1 d . . .
C21 C 0.6707(9) -0.02613(18) 0.2525(3) 0.0277(12) Uani 1 1 d . . .
C22 C 0.6415(10) -0.02791(18) 0.3159(3) 0.0288(12) Uani 1 1 d . . .
C23 C 0.6267(10) 0.0115(2) 0.3547(3) 0.0300(12) Uani 1 1 d . . .
C24 C 0.6577(9) 0.05432(18) 0.3332(3) 0.0255(11) Uani 1 1 d . . .
C25 C 0.6938(11) -0.06774(19) 0.2104(3) 0.0351(14) Uani 1 1 d . . .
C26 C 0.4684(15) -0.0858(4) 0.1875(7) 0.126(6) Uani 1 1 d . . .
H34 H 0.3813 -0.0632 0.1617 0.189 Uiso 1 1 calc R . .
H35 H 0.3921 -0.0936 0.2240 0.189 Uiso 1 1 calc R . .
H36 H 0.4834 -0.1125 0.1617 0.189 Uiso 1 1 calc R . .
C27 C 0.842(2) -0.1036(3) 0.2467(5) 0.088(4) Uani 1 1 d . . .
H37 H 0.7524 -0.1212 0.2729 0.132 Uiso 1 1 calc R . .
H38 H 0.9645 -0.0891 0.2740 0.132 Uiso 1 1 calc R . .
H39 H 0.9033 -0.1232 0.2164 0.132 Uiso 1 1 calc R . .
C28 C 0.8173(17) -0.0581(2) 0.1537(4) 0.074(3) Uani 1 1 d . . .
H40 H 0.8586 -0.0864 0.1350 0.111 Uiso 1 1 calc R . .
H41 H 0.9525 -0.0409 0.1677 0.111 Uiso 1 1 calc R . .
H42 H 0.7203 -0.0410 0.1218 0.111 Uiso 1 1 calc R . .
C29 C 0.6759(11) 0.09747(19) 0.3737(3) 0.0331(13) Uani 1 1 d . . .
C30 C 0.4934(13) 0.1309(2) 0.3473(4) 0.0511(19) Uani 1 1 d . . .
H43 H 0.5107 0.1586 0.3720 0.077 Uiso 1 1 calc R . .
H44 H 0.3460 0.1181 0.3502 0.077 Uiso 1 1 calc R . .
H45 H 0.5075 0.1374 0.3027 0.077 Uiso 1 1 calc R . .
C31 C 0.9020(12) 0.1183(2) 0.3682(4) 0.0472(18) Uani 1 1 d . . .
H46 H 0.9175 0.1461 0.3925 0.071 Uiso 1 1 calc R . .
H47 H 0.9139 0.1245 0.3234 0.071 Uiso 1 1 calc R . .
H48 H 1.0206 0.0975 0.3850 0.071 Uiso 1 1 calc R . .
C32 C 0.6536(16) 0.0913(3) 0.4437(3) 0.060(2) Uani 1 1 d . . .
H49 H 0.7754 0.0724 0.4635 0.090 Uiso 1 1 calc R . .
H50 H 0.5100 0.0772 0.4479 0.090 Uiso 1 1 calc R . .
H51 H 0.6611 0.1205 0.4648 0.090 Uiso 1 1 calc R . .
C33 C 0.7713(14) -0.0805(3) 0.3974(4) 0.059(2) Uani 1 1 d . . .
H52 H 0.9227 -0.0735 0.3885 0.088 Uiso 1 1 calc R . .
H53 H 0.7596 -0.1126 0.4053 0.088 Uiso 1 1 calc R . .
H54 H 0.7397 -0.0638 0.4349 0.088 Uiso 1 1 calc R . .
C34 C 0.3418(13) -0.0057(3) 0.4155(4) 0.056(2) Uani 1 1 d . . .
H55 H 0.2526 0.0191 0.3955 0.083 Uiso 1 1 calc R . .
H56 H 0.3110 -0.0093 0.4594 0.083 Uiso 1 1 calc R . .
H57 H 0.3027 -0.0333 0.3918 0.083 Uiso 1 1 calc R . .
C35 C 0.6161(9) 0.15174(18) 0.1242(3) 0.0263(12) Uani 1 1 d . . .
C36 C 0.6281(10) 0.0801(2) 0.0544(3) 0.0298(13) 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
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C17 Rh1 C18 88.6(3) . .
C17 Rh1 O1 96.5(2) . .
C18 Rh1 O1 174.9(2) . .
C17 Rh1 O2 175.54(19) . .
C18 Rh1 O2 95.7(2) . .
O1 Rh1 O2 79.17(14) . .
C17 Rh1 Rh2 82.40(16) . 1_455
C18 Rh1 Rh2 93.95(18) . 1_455
O1 Rh1 Rh2 86.91(10) . 1_455
O2 Rh1 Rh2 96.25(10) . 1_455
C17 Rh1 Rh2 89.86(16) . .
C18 Rh1 Rh2 81.55(18) . .
O1 Rh1 Rh2 98.25(10) . .
O2 Rh1 Rh2 91.78(10) . .
Rh2 Rh1 Rh2 171.165(19) 1_455 .
C35 Rh2 C36 89.1(3) . .
C35 Rh2 O8 174.8(2) . .
C36 Rh2 O8 94.9(2) . .
C35 Rh2 O7 97.2(2) . .
C36 Rh2 O7 173.3(2) . .
O8 Rh2 O7 79.02(15) . .
C35 Rh2 Rh1 89.41(17) . 1_655
C36 Rh2 Rh1 84.17(18) . 1_655
O8 Rh2 Rh1 94.34(11) . 1_655
O7 Rh2 Rh1 93.50(10) . 1_655
C35 Rh2 Rh1 82.12(17) . .
C36 Rh2 Rh1 93.12(18) . .
O8 Rh2 Rh1 94.27(11) . .
O7 Rh2 Rh1 90.09(10) . .
Rh1 Rh2 Rh1 171.165(19) 1_655 .
C1 O1 Rh1 114.7(3) . .
C2 O2 Rh1 114.9(3) . .
C4 O3 C15 113.0(5) . .
C5 O4 C16 114.0(5) . .
C19 O7 Rh2 113.9(3) . .
C20 O8 Rh2 114.9(3) . .
C22 O9 C33 117.9(5) . .
C23 O10 C34 112.4(5) . .
O1 C1 C6 121.8(5) . .
O1 C1 C2 115.1(4) . .
C6 C1 C2 123.1(5) . .
O2 C2 C3 122.1(5) . .
O2 C2 C1 115.9(4) . .
C3 C2 C1 122.0(5) . .
C4 C3 C2 113.6(5) . .
C4 C3 C7 127.3(5) . .
C2 C3 C7 119.1(4) . .
O3 C4 C3 121.4(5) . .
O3 C4 C5 114.7(5) . .
C3 C4 C5 123.8(5) . .
C6 C5 O4 120.2(5) . .
C6 C5 C4 123.9(5) . .
O4 C5 C4 115.8(5) . .
C5 C6 C1 113.3(5) . .
C5 C6 C11 124.0(5) . .
C1 C6 C11 122.6(5) . .
C10 C7 C9 107.8(5) . .
C10 C7 C8 109.5(5) . .
C9 C7 C8 105.8(5) . .
C10 C7 C3 110.6(5) . .
C9 C7 C3 113.8(5) . .
C8 C7 C3 109.1(5) . .
C7 C8 H1 109.5 . .
C7 C8 H2 109.5 . .
H1 C8 H2 109.5 . .
C7 C8 H3 109.5 . .
H1 C8 H3 109.5 . .
H2 C8 H3 109.5 . .
C7 C9 H4 109.5 . .
C7 C9 H5 109.5 . .
H4 C9 H5 109.5 . .
C7 C9 H6 109.5 . .
H4 C9 H6 109.5 . .
H5 C9 H6 109.5 . .
C7 C10 H7 109.5 . .
C7 C10 H8 109.5 . .
H7 C10 H8 109.5 . .
C7 C10 H9 109.5 . .
H7 C10 H9 109.5 . .
H8 C10 H9 109.5 . .
C12B C11 C12A 113.4(10) . .
C12B C11 C6 119.4(8) . .
C12A C11 C6 126.8(9) . .
C12B C11 C13B 113.2(11) . .
C12A C11 C13B 53.4(10) . .
C6 C11 C13B 106.7(7) . .
C12B C11 C14B 109.9(11) . .
C12A C11 C14B 51.2(10) . .
C6 C11 C14B 103.4(6) . .
C13B C11 C14B 102.5(8) . .
C12B C11 C14A 52.4(12) . .
C12A C11 C14A 108.5(11) . .
C6 C11 C14A 107.2(7) . .
C13B C11 C14A 70.2(9) . .
C14B C11 C14A 149.3(9) . .
C12B C11 C13A 46.7(11) . .
C12A C11 C13A 103.9(10) . .
C6 C11 C13A 107.9(6) . .
C13B C11 C13A 145.4(8) . .
C14B C11 C13A 69.6(8) . .
C14A C11 C13A 99.0(11) . .
C11 C12A H10 109.5 . .
C11 C12A H11 109.5 . .
C11 C12A H12 109.5 . .
C11 C12B H13 109.5 . .
C11 C12B H14 109.5 . .
H13 C12B H14 109.5 . .
C11 C12B H15 109.5 . .
H13 C12B H15 109.5 . .
H14 C12B H15 109.5 . .
C11 C13A H16 109.5 . .
C11 C13A H17 109.5 . .
C11 C13A H18 109.5 . .
C11 C13B H19 109.5 . .
C11 C13B H20 109.5 . .
H19 C13B H20 109.5 . .
C11 C13B H21 109.5 . .
H19 C13B H21 109.5 . .
H20 C13B H21 109.5 . .
C11 C14A H22 109.5 . .
C11 C14A H23 109.5 . .
C11 C14A H24 109.5 . .
C11 C14B H25 109.5 . .
C11 C14B H26 109.5 . .
H25 C14B H26 109.5 . .
C11 C14B H27 109.5 . .
H25 C14B H27 109.5 . .
H26 C14B H27 109.5 . .
O3 C15 H28 109.5 . .
O3 C15 H29 109.5 . .
H28 C15 H29 109.5 . .
O3 C15 H30 109.5 . .
H28 C15 H30 109.5 . .
H29 C15 H30 109.5 . .
O4 C16 H31 109.5 . .
O4 C16 H32 109.5 . .
H31 C16 H32 109.5 . .
O4 C16 H33 109.5 . .
H31 C16 H33 109.5 . .
H32 C16 H33 109.5 . .
O5 C17 Rh1 179.5(5) . .
O6 C18 Rh1 178.2(6) . .
O7 C19 C24 121.2(5) . .
O7 C19 C20 116.0(5) . .
C24 C19 C20 122.7(5) . .
O8 C20 C19 115.8(4) . .
O8 C20 C21 122.0(5) . .
C19 C20 C21 122.2(5) . .
C22 C21 C20 113.7(5) . .
C22 C21 C25 124.3(5) . .
C20 C21 C25 121.9(5) . .
O9 C22 C21 119.9(5) . .
O9 C22 C23 116.8(5) . .
C21 C22 C23 123.2(5) . .
O10 C23 C24 121.4(5) . .
O10 C23 C22 115.4(5) . .
C24 C23 C22 123.2(5) . .
C23 C24 C19 113.7(5) . .
C23 C24 C29 126.5(5) . .
C19 C24 C29 119.8(5) . .
C26 C25 C28 109.4(8) . .
C26 C25 C27 111.0(8) . .
C28 C25 C27 102.4(6) . .
C26 C25 C21 109.5(6) . .
C28 C25 C21 113.2(5) . .
C27 C25 C21 111.2(6) . .
C25 C26 H34 109.5 . .
C25 C26 H35 109.5 . .
H34 C26 H35 109.5 . .
C25 C26 H36 109.5 . .
H34 C26 H36 109.5 . .
H35 C26 H36 109.5 . .
C25 C27 H37 109.5 . .
C25 C27 H38 109.5 . .
H37 C27 H38 109.5 . .
C25 C27 H39 109.5 . .
H37 C27 H39 109.5 . .
H38 C27 H39 109.5 . .
C25 C28 H40 109.5 . .
C25 C28 H41 109.5 . .
H40 C28 H41 109.5 . .
C25 C28 H42 109.5 . .
H40 C28 H42 109.5 . .
H41 C28 H42 109.5 . .
C31 C29 C32 108.7(6) . .
C31 C29 C30 108.2(6) . .
C32 C29 C30 106.6(6) . .
C31 C29 C24 107.4(5) . .
C32 C29 C24 115.6(5) . .
C30 C29 C24 110.2(5) . .
C29 C30 H43 109.5 . .
C29 C30 H44 109.5 . .
H43 C30 H44 109.5 . .
C29 C30 H45 109.5 . .
H43 C30 H45 109.5 . .
H44 C30 H45 109.5 . .
C29 C31 H46 109.5 . .
C29 C31 H47 109.5 . .
H46 C31 H47 109.5 . .
C29 C31 H48 109.5 . .
H46 C31 H48 109.5 . .
H47 C31 H48 109.5 . .
C29 C32 H49 109.5 . .
C29 C32 H50 109.5 . .
H49 C32 H50 109.5 . .
C29 C32 H51 109.5 . .
H49 C32 H51 109.5 . .
H50 C32 H51 109.5 . .
O9 C33 H52 109.5 . .
O9 C33 H53 109.5 . .
H52 C33 H53 109.5 . .
O9 C33 H54 109.5 . .
H52 C33 H54 109.5 . .
H53 C33 H54 109.5 . .
O10 C34 H55 109.5 . .
O10 C34 H56 109.5 . .
H55 C34 H56 109.5 . .
O10 C34 H57 109.5 . .
H55 C34 H57 109.5 . .
H56 C34 H57 109.5 . .
O11 C35 Rh2 178.8(5) . .
O12 C36 Rh2 176.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C17 1.866(6) .
Rh1 C18 1.873(6) .
Rh1 O1 2.019(4) .
Rh1 O2 2.024(4) .
Rh1 Rh2 3.0151(7) 1_455
Rh1 Rh2 3.0426(7) .
Rh2 C35 1.862(6) .
Rh2 C36 1.868(6) .
Rh2 O8 2.022(4) .
Rh2 O7 2.029(4) .
Rh2 Rh1 3.0150(7) 1_655
O1 C1 1.327(6) .
O2 C2 1.309(6) .
O3 C4 1.382(6) .
O3 C15 1.442(8) .
O4 C5 1.383(6) .
O4 C16 1.438(8) .
O5 C17 1.127(6) .
O6 C18 1.132(7) .
O7 C19 1.320(6) .
O8 C20 1.307(6) .
O9 C22 1.369(6) .
O9 C33 1.427(8) .
O10 C23 1.381(7) .
O10 C34 1.434(8) .
O11 C35 1.136(6) .
O12 C36 1.129(7) .
C1 C6 1.427(7) .
C1 C2 1.440(7) .
C2 C3 1.432(7) .
C3 C4 1.383(7) .
C3 C7 1.540(7) .
C4 C5 1.434(8) .
C5 C6 1.383(8) .
C6 C11 1.543(8) .
C7 C10 1.527(8) .
C7 C9 1.533(8) .
C7 C8 1.536(8) .
C8 H1 0.9800 .
C8 H2 0.9800 .
C8 H3 0.9800 .
C9 H4 0.9800 .
C9 H5 0.9800 .
C9 H6 0.9800 .
C10 H7 0.9800 .
C10 H8 0.9800 .
C10 H9 0.9800 .
C11 C12B 1.383(15) .
C11 C12A 1.415(16) .
C11 C13B 1.598(14) .
C11 C14B 1.602(14) .
C11 C14A 1.619(18) .
C11 C13A 1.650(16) .
C12A H10 0.9800 .
C12A H11 0.9800 .
C12A H12 0.9800 .
C12B H13 0.9800 .
C12B H14 0.9800 .
C12B H15 0.9800 .
C13A H16 0.9800 .
C13A H17 0.9800 .
C13A H18 0.9800 .
C13B H19 0.9800 .
C13B H20 0.9800 .
C13B H21 0.9800 .
C14A H22 0.9800 .
C14A H23 0.9800 .
C14A H24 0.9800 .
C14B H25 0.9800 .
C14B H26 0.9800 .
C14B H27 0.9800 .
C15 H28 0.9800 .
C15 H29 0.9800 .
C15 H30 0.9800 .
C16 H31 0.9800 .
C16 H32 0.9800 .
C16 H33 0.9800 .
C19 C24 1.428(7) .
C19 C20 1.428(7) .
C20 C21 1.431(7) .
C21 C22 1.382(8) .
C21 C25 1.551(8) .
C22 C23 1.450(8) .
C23 C24 1.383(8) .
C24 C29 1.549(8) .
C25 C26 1.487(10) .
C25 C28 1.525(9) .
C25 C27 1.540(10) .
C26 H34 0.9800 .
C26 H35 0.9800 .
C26 H36 0.9800 .
C27 H37 0.9800 .
C27 H38 0.9800 .
C27 H39 0.9800 .
C28 H40 0.9800 .
C28 H41 0.9800 .
C28 H42 0.9800 .
C29 C31 1.520(9) .
C29 C32 1.521(9) .
C29 C30 1.541(9) .
C30 H43 0.9800 .
C30 H44 0.9800 .
C30 H45 0.9800 .
C31 H46 0.9800 .
C31 H47 0.9800 .
C31 H48 0.9800 .
C32 H49 0.9800 .
C32 H50 0.9800 .
C32 H51 0.9800 .
C33 H52 0.9800 .
C33 H53 0.9800 .
C33 H54 0.9800 .
C34 H55 0.9800 .
C34 H56 0.9800 .
C34 H57 0.9800 .
