#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:26:17 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179019 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/17/4121764.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_4121764
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                 95.188(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.1724(4)
_cell_length_b                   29.6965(19)
_cell_length_c                   21.5390(15)
_cell_measurement_reflns_used    9024
_cell_measurement_temperature    226(1)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      4.0270
_cell_volume                     3931.9(5)
_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      226(1)
_diffrn_detector_area_resol_mean 14.6199
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_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  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0744
_diffrn_reflns_limit_h_max       8
_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            28261
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         4.03
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_T_max  0.9294
_exptl_absorpt_correction_T_min  0.7904
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.579
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       0.000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         8584
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0215P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                6342
_reflns_number_total             8584
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5017014_si_001.cif
_cod_data_source_block           publication_[Rh(3,6-DBSQ-4,5-(MeO)2)(CO)2]_226K
_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_sg_symbol_H-M      'P 21/n'
_cod_database_code               4121764
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 0.19334(5) 0.100641(8) 0.134756(12) 0.04552(9) Uani 1 1 d . . .
Rh2 Rh 0.69289(5) 0.095355(8) 0.139727(12) 0.04598(9) Uani 1 1 d . . .
O1 O 0.1868(3) 0.16126(6) 0.17679(9) 0.0410(5) Uani 1 1 d . . .
O2 O 0.1690(3) 0.14188(6) 0.05990(9) 0.0419(5) Uani 1 1 d . . .
O3 O 0.0914(4) 0.29715(7) 0.00768(11) 0.0529(6) Uani 1 1 d . . .
O4 O 0.1311(4) 0.31789(7) 0.12658(11) 0.0542(6) Uani 1 1 d . . .
O5 O 0.2518(4) 0.04578(9) 0.25165(11) 0.0564(6) Uani 1 1 d . . .
O6 O 0.1907(5) 0.01738(9) 0.05674(14) 0.0787(9) Uani 1 1 d . . .
O7 O 0.7290(3) 0.09942(6) 0.23368(9) 0.0401(5) Uani 1 1 d . . .
O8 O 0.7052(4) 0.02957(7) 0.16283(10) 0.0470(5) Uani 1 1 d . . .
O9 O 0.8525(4) -0.06556(8) 0.34039(12) 0.0631(7) Uani 1 1 d . . .
O10 O 0.9098(4) 0.00647(9) 0.41129(11) 0.0638(7) Uani 1 1 d . . .
O11 O 0.6672(4) 0.19420(8) 0.11410(12) 0.0531(6) Uani 1 1 d . . .
O12 O 0.6683(5) 0.07679(10) 0.00287(12) 0.0771(8) Uani 1 1 d . . .
C1 C 0.1722(4) 0.19569(9) 0.13843(12) 0.0310(6) Uani 1 1 d . . .
C2 C 0.1675(4) 0.18477(9) 0.07344(13) 0.0319(6) Uani 1 1 d . . .
C3 C 0.1557(4) 0.21834(9) 0.02592(13) 0.0327(6) Uani 1 1 d . . .
C4 C 0.1301(5) 0.26125(10) 0.04787(13) 0.0359(6) Uani 1 1 d . . .
C5 C 0.1452(5) 0.27252(9) 0.11321(14) 0.0372(7) Uani 1 1 d . . .
C6 C 0.1632(5) 0.24111(10) 0.16046(14) 0.0351(6) Uani 1 1 d . A .
C7 C 0.1696(5) 0.20445(10) -0.04243(13) 0.0391(7) Uani 1 1 d . . .
C8 C 0.3647(6) 0.17316(15) -0.04696(16) 0.0658(11) Uani 1 1 d . . .
H1 H 0.3345 0.1441 -0.0290 0.099 Uiso 1 1 calc R . .
H2 H 0.4925 0.1863 -0.0244 0.099 Uiso 1 1 calc R . .
H3 H 0.3906 0.1692 -0.0904 0.099 Uiso 1 1 calc R . .
C9 C 0.2049(8) 0.24367(14) -0.08639(18) 0.0779(13) Uani 1 1 d . . .
H4 H 0.2302 0.2320 -0.1272 0.117 Uiso 1 1 calc R . .
H5 H 0.3301 0.2611 -0.0699 0.117 Uiso 1 1 calc R . .
H6 H 0.0769 0.2628 -0.0899 0.117 Uiso 1 1 calc R . .
C10 C -0.0382(6) 0.18021(15) -0.06692(17) 0.0646(11) Uani 1 1 d . . .
H7 H -0.0251 0.1700 -0.1092 0.097 Uiso 1 1 calc R . .
H8 H -0.1606 0.2007 -0.0666 0.097 Uiso 1 1 calc R . .
H9 H -0.0613 0.1545 -0.0406 0.097 Uiso 1 1 calc R . .
C11 C 0.1619(6) 0.25116(13) 0.23039(16) 0.0554(9) Uani 1 1 d . . .
C12A C 0.148(3) 0.2979(2) 0.2514(3) 0.113(6) Uani 0.689(16) 1 d P A 1
H10 H 0.0291 0.3129 0.2273 0.170 Uiso 0.689(16) 1 calc PR A 1
H11 H 0.2835 0.3133 0.2456 0.170 Uiso 0.689(16) 1 calc PR A 1
H12 H 0.1230 0.2984 0.2952 0.170 Uiso 0.689(16) 1 calc PR A 1
C13A C -0.0524(14) 0.2277(5) 0.2516(4) 0.097(4) Uani 0.689(16) 1 d P A 1
H13 H -0.0561 0.1964 0.2386 0.146 Uiso 0.689(16) 1 calc PR A 1
H14 H -0.1799 0.2431 0.2326 0.146 Uiso 0.689(16) 1 calc PR A 1
H15 H -0.0511 0.2292 0.2967 0.146 Uiso 0.689(16) 1 calc PR A 1
C14A C 0.3515(15) 0.2263(5) 0.2665(5) 0.086(3) Uani 0.689(16) 1 d P A 1
H16 H 0.3300 0.2261 0.3106 0.129 Uiso 0.689(16) 1 calc PR A 1
H17 H 0.4870 0.2415 0.2603 0.129 Uiso 0.689(16) 1 calc PR A 1
H18 H 0.3573 0.1955 0.2515 0.129 Uiso 0.689(16) 1 calc PR A 1
C15 C -0.1336(7) 0.31059(15) 0.0022(2) 0.0804(13) Uani 1 1 d . . .
H19 H -0.2215 0.2871 -0.0186 0.121 Uiso 1 1 calc R . .
H20 H -0.1503 0.3382 -0.0218 0.121 Uiso 1 1 calc R . .
H21 H -0.1805 0.3156 0.0434 0.121 Uiso 1 1 calc R . .
C16 C 0.3198(8) 0.34347(14) 0.1136(2) 0.0868(14) Uani 1 1 d . . .
H22 H 0.4501 0.3264 0.1267 0.130 Uiso 1 1 calc R . .
H23 H 0.3218 0.3717 0.1362 0.130 Uiso 1 1 calc R . .
H24 H 0.3147 0.3495 0.0692 0.130 Uiso 1 1 calc R . .
C17 C 0.2276(5) 0.06666(11) 0.20777(16) 0.0428(7) Uani 1 1 d . . .
C18 C 0.1929(6) 0.04802(12) 0.08747(17) 0.0541(9) Uani 1 1 d . . .
C19 C 0.7531(5) 0.06058(10) 0.26220(14) 0.0351(6) Uani 1 1 d . . .
C20 C 0.7438(5) 0.02173(10) 0.22285(14) 0.0375(7) Uani 1 1 d . . .
C21 C 0.7705(5) -0.02296(10) 0.24641(15) 0.0417(7) Uani 1 1 d . . .
C22 C 0.8168(5) -0.02491(10) 0.30992(16) 0.0462(8) Uani 1 1 d . . .
C23 C 0.8406(5) 0.01445(11) 0.34933(15) 0.0451(8) Uani 1 1 d . . .
C24 C 0.7949(5) 0.05737(10) 0.32851(14) 0.0378(7) Uani 1 1 d . . .
C25 C 0.7442(6) -0.06354(11) 0.20111(18) 0.0539(9) Uani 1 1 d . . .
C26 C 0.5105(7) -0.06457(16) 0.1718(3) 0.0975(17) Uani 1 1 d . . .
H25 H 0.4960 -0.0875 0.1397 0.146 Uiso 1 1 calc R . .
H26 H 0.4730 -0.0354 0.1535 0.146 Uiso 1 1 calc R . .
H27 H 0.4136 -0.0714 0.2035 0.146 Uiso 1 1 calc R . .
C27 C 0.8089(11) -0.10891(15) 0.2292(3) 0.113(2) Uani 1 1 d . . .
H28 H 0.7110 -0.1169 0.2603 0.169 Uiso 1 1 calc R . .
H29 H 0.9567 -0.1073 0.2487 0.169 Uiso 1 1 calc R . .
H30 H 0.8005 -0.1316 0.1967 0.169 Uiso 1 1 calc R . .
C28 C 0.8934(8) -0.05770(16) 0.1472(2) 0.0936(16) Uani 1 1 d . . .
H31 H 1.0408 -0.0513 0.1644 0.140 Uiso 1 1 calc R . .
H32 H 0.8403 -0.0330 0.1206 0.140 Uiso 1 1 calc R . .
H33 H 0.8921 -0.0852 0.1228 0.140 Uiso 1 1 calc R . .
C29 C 0.7956(6) 0.09989(11) 0.36946(16) 0.0505(9) Uani 1 1 d . . .
C30 C 0.9971(9) 0.1277(2) 0.3578(3) 0.138(3) Uani 1 1 d . . .
H34 H 1.0136 0.1522 0.3877 0.208 Uiso 1 1 calc R . .
H35 H 0.9803 0.1399 0.3159 0.208 Uiso 1 1 calc R . .
H36 H 1.1251 0.1086 0.3625 0.208 Uiso 1 1 calc R . .
C31 C 0.6017(7) 0.12893(16) 0.3514(2) 0.0856(15) Uani 1 1 d . . .
H37 H 0.4699 0.1123 0.3572 0.128 Uiso 1 1 calc R . .
H38 H 0.6019 0.1376 0.3080 0.128 Uiso 1 1 calc R . .
H39 H 0.6079 0.1557 0.3774 0.128 Uiso 1 1 calc R . .
C32 C 0.7992(17) 0.09146(19) 0.4371(2) 0.200(5) Uani 1 1 d . . .
H40 H 0.7885 0.1199 0.4588 0.300 Uiso 1 1 calc R . .
H41 H 0.9342 0.0766 0.4517 0.300 Uiso 1 1 calc R . .
H42 H 0.6773 0.0724 0.4451 0.300 Uiso 1 1 calc R . .
C33 C 0.6867(10) -0.07857(16) 0.3794(3) 0.115(2) Uani 1 1 d . . .
H43 H 0.6890 -0.0583 0.4148 0.172 Uiso 1 1 calc R . .
H44 H 0.7136 -0.1091 0.3941 0.172 Uiso 1 1 calc R . .
H45 H 0.5456 -0.0771 0.3558 0.172 Uiso 1 1 calc R . .
C34 C 1.1367(8) -0.00466(16) 0.4208(2) 0.0906(15) Uani 1 1 d . . .
H46 H 1.1628 -0.0329 0.4002 0.136 Uiso 1 1 calc R . .
H47 H 1.1789 -0.0076 0.4651 0.136 Uiso 1 1 calc R . .
H48 H 1.2218 0.0190 0.4037 0.136 Uiso 1 1 calc R . .
C35 C 0.6786(5) 0.15713(11) 0.12424(15) 0.0422(7) Uani 1 1 d . . .
C36 C 0.6760(6) 0.08490(12) 0.05412(17) 0.0537(9) Uani 1 1 d . . .
C13B C 0.332(3) 0.2947(6) 0.2437(7) 0.074(5) Uani 0.311(16) 1 d P A 2
H49 H 0.3569 0.3000 0.2882 0.111 Uiso 0.311(16) 1 calc PR A 2
H50 H 0.2693 0.3214 0.2234 0.111 Uiso 0.311(16) 1 calc PR A 2
H51 H 0.4698 0.2879 0.2272 0.111 Uiso 0.311(16) 1 calc PR A 2
C14B C -0.058(3) 0.2713(12) 0.2389(10) 0.130(13) Uani 0.311(16) 1 d P A 2
H52 H -0.1345 0.2522 0.2661 0.195 Uiso 0.311(16) 1 calc PR A 2
H53 H -0.1416 0.2738 0.1987 0.195 Uiso 0.311(16) 1 calc PR A 2
H54 H -0.0387 0.3010 0.2574 0.195 Uiso 0.311(16) 1 calc PR A 2
C12B C 0.228(10) 0.2211(10) 0.2732(12) 0.23(3) Uani 0.311(16) 1 d P A 2
H55 H 0.2054 0.2328 0.3142 0.342 Uiso 0.311(16) 1 calc PR A 2
H56 H 0.3811 0.2149 0.2710 0.342 Uiso 0.311(16) 1 calc PR A 2
H57 H 0.1450 0.1935 0.2659 0.342 Uiso 0.311(16) 1 calc PR A 2
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_3
C17 Rh1 C18 90.09(15) .
C17 Rh1 O1 96.30(11) .
C18 Rh1 O1 173.59(12) .
C17 Rh1 O2 175.03(11) .
C18 Rh1 O2 94.35(12) .
O1 Rh1 O2 79.29(8) .
C17 Rh1 Rh2 84.61(9) .
C18 Rh1 Rh2 85.89(12) .
O1 Rh1 Rh2 95.19(6) .
O2 Rh1 Rh2 93.48(6) .
C17 Rh1 Rh2 88.91(9) 1_455
C18 Rh1 Rh2 91.38(12) 1_455
O1 Rh1 Rh2 88.25(6) 1_455
O2 Rh1 Rh2 93.20(6) 1_455
Rh2 Rh1 Rh2 172.964(12) 1_455
C36 Rh2 C35 89.39(15) .
C36 Rh2 O8 94.61(12) .
C35 Rh2 O8 175.93(12) .
C36 Rh2 O7 173.13(12) .
C35 Rh2 O7 96.86(11) .
O8 Rh2 O7 79.18(8) .
C36 Rh2 Rh1 90.44(12) .
C35 Rh2 Rh1 84.98(9) .
O8 Rh2 Rh1 94.20(7) .
O7 Rh2 Rh1 92.93(6) .
C36 Rh2 Rh1 86.63(12) 1_655
C35 Rh2 Rh1 88.59(9) 1_655
O8 Rh2 Rh1 92.41(7) 1_655
O7 Rh2 Rh1 90.67(6) 1_655
Rh1 Rh2 Rh1 172.965(12) 1_655
C1 O1 Rh1 114.57(17) .
C2 O2 Rh1 114.48(17) .
C4 O3 C15 112.1(3) .
C5 O4 C16 114.0(3) .
C19 O7 Rh2 114.52(18) .
C20 O8 Rh2 114.45(18) .
C22 O9 C33 115.0(3) .
C23 O10 C34 112.9(3) .
O1 C1 C6 121.8(2) .
O1 C1 C2 115.6(2) .
C6 C1 C2 122.5(3) .
O2 C2 C3 121.5(2) .
O2 C2 C1 116.0(2) .
C3 C2 C1 122.5(2) .
C4 C3 C2 113.7(2) .
C4 C3 C7 126.6(3) .
C2 C3 C7 119.7(2) .
C3 C4 O3 121.3(3) .
C3 C4 C5 123.5(3) .
O3 C4 C5 115.2(2) .
C6 C5 O4 120.6(3) .
C6 C5 C4 123.9(3) .
O4 C5 C4 115.5(3) .
C5 C6 C1 113.3(3) .
C5 C6 C11 125.9(3) .
C1 C6 C11 120.7(3) .
C10 C7 C9 108.0(3) .
C10 C7 C8 109.5(3) .
C9 C7 C8 105.4(3) .
C10 C7 C3 109.9(3) .
C9 C7 C3 114.3(3) .
C8 C7 C3 109.6(2) .
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 116.6(13) .
C12B C11 C14B 114(2) .
C12A C11 C14B 60.6(9) .
C12B C11 C14A 32(3) .
C12A C11 C14A 111.2(7) .
C14B C11 C14A 141.5(11) .
C12B C11 C6 121.6(12) .
C12A C11 C6 119.5(4) .
C14B C11 C6 106.3(8) .
C14A C11 C6 109.4(5) .
C12B C11 C13A 73(3) .
C12A C11 C13A 104.6(6) .
C14B C11 C13A 50.4(11) .
C14A C11 C13A 104.9(7) .
C6 C11 C13A 105.9(4) .
C12B C11 C13B 105(2) .
C12A C11 C13B 43.0(6) .
C14B C11 C13B 103.3(11) .
C14A C11 C13B 81.2(9) .
C6 C11 C13B 105.0(6) .
C13A C11 C13B 144.2(7) .
C11 C12A H10 109.5 .
C11 C12A H11 109.5 .
C11 C12A H12 109.5 .
C11 C13A H13 109.5 .
C11 C13A H14 109.5 .
C11 C13A H15 109.5 .
C11 C14A H16 109.5 .
C11 C14A H17 109.5 .
C11 C14A H18 109.5 .
O3 C15 H19 109.5 .
O3 C15 H20 109.5 .
H19 C15 H20 109.5 .
O3 C15 H21 109.5 .
H19 C15 H21 109.5 .
H20 C15 H21 109.5 .
O4 C16 H22 109.5 .
O4 C16 H23 109.5 .
H22 C16 H23 109.5 .
O4 C16 H24 109.5 .
H22 C16 H24 109.5 .
H23 C16 H24 109.5 .
O5 C17 Rh1 178.8(3) .
O6 C18 Rh1 177.0(3) .
O7 C19 C20 115.9(3) .
O7 C19 C24 122.0(3) .
C20 C19 C24 122.1(3) .
O8 C20 C21 121.3(3) .
O8 C20 C19 115.7(3) .
C21 C20 C19 122.9(3) .
C22 C21 C20 113.6(3) .
C22 C21 C25 126.5(3) .
C20 C21 C25 119.8(3) .
C21 C22 O9 121.3(3) .
C21 C22 C23 123.5(3) .
O9 C22 C23 115.1(3) .
C24 C23 O10 120.7(3) .
C24 C23 C22 123.5(3) .
O10 C23 C22 115.7(3) .
C23 C24 C19 113.7(3) .
C23 C24 C29 125.8(3) .
C19 C24 C29 120.5(3) .
C27 C25 C26 110.7(4) .
C27 C25 C21 115.5(3) .
C26 C25 C21 108.6(3) .
C27 C25 C28 104.2(4) .
C26 C25 C28 107.2(4) .
C21 C25 C28 110.4(3) .
C25 C26 H25 109.5 .
C25 C26 H26 109.5 .
H25 C26 H26 109.5 .
C25 C26 H27 109.5 .
H25 C26 H27 109.5 .
H26 C26 H27 109.5 .
C25 C27 H28 109.5 .
C25 C27 H29 109.5 .
H28 C27 H29 109.5 .
C25 C27 H30 109.5 .
H28 C27 H30 109.5 .
H29 C27 H30 109.5 .
C25 C28 H31 109.5 .
C25 C28 H32 109.5 .
H31 C28 H32 109.5 .
C25 C28 H33 109.5 .
H31 C28 H33 109.5 .
H32 C28 H33 109.5 .
C32 C29 C31 107.1(4) .
C32 C29 C30 108.2(5) .
C31 C29 C30 106.8(4) .
C32 C29 C24 115.2(3) .
C31 C29 C24 111.3(3) .
C30 C29 C24 107.9(3) .
C29 C30 H34 109.5 .
C29 C30 H35 109.5 .
H34 C30 H35 109.5 .
C29 C30 H36 109.5 .
H34 C30 H36 109.5 .
H35 C30 H36 109.5 .
C29 C31 H37 109.5 .
C29 C31 H38 109.5 .
H37 C31 H38 109.5 .
C29 C31 H39 109.5 .
H37 C31 H39 109.5 .
H38 C31 H39 109.5 .
C29 C32 H40 109.5 .
C29 C32 H41 109.5 .
H40 C32 H41 109.5 .
C29 C32 H42 109.5 .
H40 C32 H42 109.5 .
H41 C32 H42 109.5 .
O9 C33 H43 109.5 .
O9 C33 H44 109.5 .
H43 C33 H44 109.5 .
O9 C33 H45 109.5 .
H43 C33 H45 109.5 .
H44 C33 H45 109.5 .
O10 C34 H46 109.5 .
O10 C34 H47 109.5 .
H46 C34 H47 109.5 .
O10 C34 H48 109.5 .
H46 C34 H48 109.5 .
H47 C34 H48 109.5 .
O11 C35 Rh2 178.8(3) .
O12 C36 Rh2 177.1(3) .
C11 C13B H49 109.5 .
C11 C13B H50 109.5 .
H49 C13B H50 109.5 .
C11 C13B H51 109.5 .
H49 C13B H51 109.5 .
H50 C13B H51 109.5 .
C11 C14B H52 109.5 .
C11 C14B H53 109.5 .
H52 C14B H53 109.5 .
C11 C14B H54 109.5 .
H52 C14B H54 109.5 .
H53 C14B H54 109.5 .
C11 C12B H55 109.5 .
C11 C12B H56 109.5 .
H55 C12B H56 109.5 .
C11 C12B H57 109.5 .
H55 C12B H57 109.5 .
H56 C12B H57 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C17 1.864(3) .
Rh1 C18 1.865(4) .
Rh1 O1 2.017(2) .
Rh1 O2 2.019(2) .
Rh1 Rh2 3.0796(4) .
Rh1 Rh2 3.1045(4) 1_455
Rh2 C36 1.863(4) .
Rh2 C35 1.865(3) .
Rh2 O8 2.016(2) .
Rh2 O7 2.019(2) .
Rh2 Rh1 3.1045(4) 1_655
O1 C1 1.313(3) .
O2 C2 1.307(3) .
O3 C4 1.380(3) .
O3 C15 1.439(4) .
O4 C5 1.382(3) .
O4 C16 1.439(5) .
O5 C17 1.129(4) .
O6 C18 1.124(4) .
O7 C19 1.309(3) .
O8 C20 1.314(4) .
O9 C22 1.382(3) .
O9 C33 1.435(5) .
O10 C23 1.384(4) .
O10 C34 1.436(5) .
O11 C35 1.123(4) .
O12 C36 1.127(4) .
C1 C6 1.433(4) .
C1 C2 1.435(4) .
C2 C3 1.426(4) .
C3 C4 1.373(4) .
C3 C7 1.539(4) .
C4 C5 1.441(4) .
C5 C6 1.378(4) .
C6 C11 1.536(4) .
C7 C10 1.523(5) .
C7 C9 1.529(4) .
C7 C8 1.531(4) .
C8 H1 0.9700 .
C8 H2 0.9700 .
C8 H3 0.9700 .
C9 H4 0.9700 .
C9 H5 0.9700 .
C9 H6 0.9700 .
C10 H7 0.9700 .
C10 H8 0.9700 .
C10 H9 0.9700 .
C11 C12B 1.32(2) .
C11 C12A 1.464(7) .
C11 C14B 1.51(2) .
C11 C14A 1.535(10) .
C11 C13A 1.598(10) .
C11 C13B 1.675(15) .
C12A H10 0.9700 .
C12A H11 0.9700 .
C12A H12 0.9700 .
C13A H13 0.9700 .
C13A H14 0.9700 .
C13A H15 0.9700 .
C14A H16 0.9700 .
C14A H17 0.9700 .
C14A H18 0.9700 .
C15 H19 0.9700 .
C15 H20 0.9700 .
C15 H21 0.9700 .
C16 H22 0.9700 .
C16 H23 0.9700 .
C16 H24 0.9700 .
C19 C20 1.430(4) .
C19 C24 1.431(4) .
C20 C21 1.425(4) .
C21 C22 1.373(5) .
C21 C25 1.550(4) .
C22 C23 1.444(5) .
C23 C24 1.372(4) .
C24 C29 1.540(4) .
C25 C27 1.516(5) .
C25 C26 1.522(5) .
C25 C28 1.556(6) .
C26 H25 0.9700 .
C26 H26 0.9700 .
C26 H27 0.9700 .
C27 H28 0.9700 .
C27 H29 0.9700 .
C27 H30 0.9700 .
C28 H31 0.9700 .
C28 H32 0.9700 .
C28 H33 0.9700 .
C29 C32 1.476(6) .
C29 C31 1.497(5) .
C29 C30 1.532(6) .
C30 H34 0.9700 .
C30 H35 0.9700 .
C30 H36 0.9700 .
C31 H37 0.9700 .
C31 H38 0.9700 .
C31 H39 0.9700 .
C32 H40 0.9700 .
C32 H41 0.9700 .
C32 H42 0.9700 .
C33 H43 0.9700 .
C33 H44 0.9700 .
C33 H45 0.9700 .
C34 H46 0.9700 .
C34 H47 0.9700 .
C34 H48 0.9700 .
C13B H49 0.9700 .
C13B H50 0.9700 .
C13B H51 0.9700 .
C14B H52 0.9700 .
C14B H53 0.9700 .
C14B H54 0.9700 .
C12B H55 0.9700 .
C12B H56 0.9700 .
C12B H57 0.9700 .
