#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:00:53 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178929 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/58/4115800.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_4115800
loop_
_publ_author_name
'F. Albert Cotton'
'Evgeny V. Dikarev'
'Marina A. Petrukhina'
_publ_section_title
;
 Using Structures Formed by Dirhodium Tetra(trifluoroacetate) with
 Polycyclic Aromatic Hydrocarbons to Prospect for Maximum π-Electron
 Density: Hückel Calculations Get It Right
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11655
_journal_page_last               11663
_journal_paper_doi               10.1021/ja016801z
_journal_volume                  123
_journal_year                    2001
_chemical_compound_source        synthesized
_chemical_formula_moiety         '[Rh2 (O2 C C F3)4]3 (C18 H12)2'
_chemical_formula_structural
;
 {[Rh2(O2CCF3)4]3(\m3-\h2(1,2):\h2(7,8):\h2(9,10)-C18H12)2} 
;
_chemical_formula_sum            'C60 H24 F36 O24 Rh6'
_chemical_formula_weight         2430.25
_chemical_name_systematic
; 
 Catena-poly{tris[tetrakis(μ-trifluoroacetato-\kO,\kO')
 dirhodium(II,II)]-bis(\m3-\h2(1,2):\h2(7,8):\h2(9,10)-
 triphenylene)}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_cell_angle_alpha                94.99(2)
_cell_angle_beta                 95.29(1)
_cell_angle_gamma                95.05(1)
_cell_formula_units_Z            1
_cell_length_a                   9.420(1)
_cell_length_b                   10.215(1)
_cell_length_c                   19.648(5)
_cell_measurement_reflns_used    159
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      20.8
_cell_measurement_theta_min      4.0
_cell_volume                     1866.6(6)
_computing_cell_refinement       'MADNES (Enraf-Nonius, 1989)'
_computing_data_collection       'MADNES (Enraf-Nonius, 1989)'
_computing_data_reduction        'PROCOR (Kabsch, 1988)'
_computing_molecular_graphics    'SHELXTL V.5 (Siemens, 1994)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL V.5 (Siemens, 1994)'
_diffrn_ambient_temperature      213(2)
_diffrn_measurement_device       'Nonius FAST area detector'
_diffrn_measurement_method       'Ellipsoid-mask fitting'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1049
_diffrn_reflns_av_sigmaI/netI    0.0939
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9803
_diffrn_reflns_theta_max         22.61
_diffrn_reflns_theta_min         2.32
_diffrn_standards_number         'none (area detector data)'
_exptl_absorpt_coefficient_mu    1.461
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            light-green
_exptl_crystal_density_diffrn    2.162
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_F_000             1170
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.312
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.198
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.112
_refine_ls_goodness_of_fit_obs   1.131
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         4656
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.131
_refine_ls_restrained_S_obs      1.130
_refine_ls_R_factor_all          0.1253
_refine_ls_R_factor_obs          0.0866
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0001P)²+63.7026P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1965
_refine_ls_wR_factor_obs         0.1666
_reflns_number_observed          3453
_reflns_number_total             4656
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja016801z_s1_12.cif
_cod_data_source_block           {[Rh2(O2CCF3)4]3(C18H12)2}_(8c)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0001P)^2^+63.7026P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0001P)^2^+63.7026P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1866.6(5)
_cod_database_code               4115800
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh1 Rh 0.71500(15) 0.22121(13) 0.29900(7) 0.0280(4) Uani 1 d . .
Rh2 Rh 0.64931(15) 0.02463(13) 0.35407(7) 0.0283(4) Uani 1 d . .
Rh3 Rh 0.45322(15) 0.46854(13) 0.05206(7) 0.0292(4) Uani 1 d . .
O1 O 0.8866(12) 0.1340(11) 0.2692(6) 0.037(3) Uani 1 d . .
O2 O 0.5949(12) 0.1350(10) 0.2133(5) 0.031(3) Uani 1 d . .
O3 O 0.5389(12) 0.2960(10) 0.3325(6) 0.031(3) Uani 1 d . .
O4 O 0.8312(13) 0.2924(11) 0.3898(6) 0.041(3) Uani 1 d . .
O5 O 0.8271(12) -0.0487(11) 0.3208(6) 0.033(3) Uani 1 d . .
O6 O 0.5292(12) -0.0465(10) 0.2653(5) 0.029(3) Uani 1 d . .
O7 O 0.4777(12) 0.1151(10) 0.3868(5) 0.030(3) Uani 1 d . .
O8 O 0.7722(13) 0.1090(11) 0.4404(5) 0.036(3) Uani 1 d . .
O9 O 0.3041(13) 0.6002(12) 0.0389(6) 0.039(3) Uani 1 d . .
O10 O 0.3152(13) 0.3301(11) -0.0067(6) 0.040(3) Uani 1 d . .
O11 O 0.6047(13) 0.3392(10) 0.0569(6) 0.034(3) Uani 1 d . .
O12 O 0.5947(13) 0.6109(11) 0.1041(6) 0.038(3) Uani 1 d . .
C1 C 0.9036(19) 0.0192(18) 0.2880(9) 0.034(4) Uiso 1 d . .
C2 C 0.5307(16) 0.0248(16) 0.2156(8) 0.023(4) Uiso 1 d . .
C3 C 0.4663(19) 0.2290(18) 0.3684(9) 0.038(4) Uiso 1 d . .
C4 C 0.8324(19) 0.2215(19) 0.4370(9) 0.036(4) Uiso 1 d . .
C5 C 1.0411(21) -0.0347(20) 0.2694(10) 0.047(5) Uiso 1 d D 1
F1 F 1.0342(19) -0.1624(14) 0.2741(11) 0.023(5) Uiso 0.50 d PD 1
F2 F 1.0583(22) -0.0166(20) 0.2019(9) 0.038(5) Uiso 0.50 d PD 1
F3 F 1.1630(21) 0.0305(20) 0.2971(12) 0.051(6) Uiso 0.50 d PD 1
F1X F 1.0369(34) -0.1590(20) 0.2488(16) 0.083(12) Uiso 0.50 d PD 2
F2X F 1.1174(39) 0.0371(32) 0.2292(17) 0.128(14) Uiso 0.50 d PD 2
F3X F 1.1351(24) -0.0073(23) 0.3289(11) 0.056(6) Uiso 0.50 d PD 2
C6 C 0.4336(19) -0.0356(18) 0.1503(9) 0.039(5) Uiso 1 d D 3
F4 F 0.3665(25) 0.0594(19) 0.1216(12) 0.047(7) Uiso 0.50 d PD 3
F5 F 0.3355(23) -0.1264(20) 0.1639(11) 0.043(6) Uiso 0.50 d PD 3
F6 F 0.5092(25) -0.0922(27) 0.1057(13) 0.066(9) Uiso 0.50 d PD 3
F4X F 0.3292(22) 0.0400(20) 0.1399(12) 0.043(7) Uiso 0.50 d PD 4
F5X F 0.3855(27) -0.1577(18) 0.1530(12) 0.055(7) Uiso 0.50 d PD 4
F6X F 0.5135(21) -0.0377(25) 0.0972(10) 0.043(6) Uiso 0.50 d PD 4
C7 C 0.3363(21) 0.2941(19) 0.3956(10) 0.046(5) Uiso 1 d D 5
F7 F 0.2699(26) 0.2276(22) 0.4381(12) 0.047(8) Uiso 0.50 d PD 5
F8 F 0.2430(21) 0.3128(22) 0.3397(9) 0.038(5) Uiso 0.50 d PD 5
F9 F 0.3700(28) 0.4179(21) 0.4226(15) 0.074(8) Uiso 0.50 d PD 5
F7X F 0.2406(23) 0.2118(19) 0.4168(12) 0.038(7) Uiso 0.50 d PD 6
F8X F 0.2835(34) 0.3749(29) 0.3543(14) 0.094(10) Uiso 0.50 d PD 6
F9X F 0.3924(26) 0.3804(25) 0.4510(12) 0.067(8) Uiso 0.50 d PD 6
C8 C 0.9219(22) 0.2822(20) 0.5038(10) 0.051(5) Uiso 1 d D 7
F10 F 1.0478(27) 0.3388(33) 0.4954(20) 0.086(18) Uiso 0.50 d PD 7
F11 F 0.9326(26) 0.2025(19) 0.5526(11) 0.046(6) Uiso 0.50 d PD 7
F12 F 0.8429(23) 0.3781(22) 0.5298(13) 0.047(7) Uiso 0.50 d PD 7
F10X F 1.0344(20) 0.3597(21) 0.4875(12) 0.024(7) Uiso 0.50 d PD 8
F11X F 0.9842(27) 0.1854(20) 0.5348(13) 0.056(7) Uiso 0.50 d PD 8
F12X F 0.8562(29) 0.3468(27) 0.5479(14) 0.069(10) Uiso 0.50 d PD 8
C9 C 0.3101(19) 0.6630(17) -0.0128(9) 0.036(4) Uiso 1 d . .
C10 C 0.3246(18) 0.3260(16) -0.0689(9) 0.029(4) Uiso 1 d . .
C11 C 0.1887(20) 0.7527(18) -0.0247(9) 0.046(5) Uiso 1 d D 9
F13 F 0.1162(40) 0.7252(42) -0.0828(15) 0.062(10) Uiso 0.40 d PD 9
F14 F 0.1004(43) 0.7579(47) 0.0245(17) 0.045(9) Uiso 0.30 d PD 9
F15 F 0.2538(32) 0.8755(26) -0.0277(27) 0.076(10) Uiso 0.40 d PD 9
F13X F 0.1610(46) 0.7816(48) -0.0880(11) 0.027(8) Uiso 0.30 d PD 10
F14X F 0.0606(35) 0.6901(46) -0.0105(31) 0.071(13) Uiso 0.30 d PD 10
F15X F 0.2114(48) 0.8678(34) 0.0116(24) 0.056(11) Uiso 0.30 d PD 10
F13Y F 0.0704(32) 0.6801(30) -0.0487(26) 0.046(10) Uiso 0.30 d PD 11
F14Y F 0.1599(35) 0.8176(33) 0.0329(10) 0.034(6) Uiso 0.40 d PD 11
F15Y F 0.2132(50) 0.8325(44) -0.0730(23) 0.057(12) Uiso 0.30 d PD 11
C12 C 0.1983(19) 0.2306(17) -0.1122(9) 0.036(4) Uiso 1 d D 12
F16 F 0.2382(24) 0.1995(24) -0.1769(9) 0.037(7) Uiso 0.50 d PD 12
F17 F 0.0785(20) 0.2864(21) -0.1206(12) 0.036(6) Uiso 0.50 d PD 12
F18 F 0.1822(27) 0.1220(18) -0.0823(10) 0.041(7) Uiso 0.50 d PD 12
F16X F 0.2522(24) 0.1650(24) -0.1656(10) 0.040(8) Uiso 0.50 d PD 13
F17X F 0.1047(28) 0.3096(24) -0.1384(14) 0.064(10) Uiso 0.50 d PD 13
F18X F 0.1324(29) 0.1428(22) -0.0790(11) 0.055(8) Uiso 0.50 d PD 13
C13 C 0.7279(16) 0.4155(15) 0.2254(8) 0.026(4) Uiso 1 d . .
H13 H 0.6928(16) 0.3495(15) 0.1901(8) 0.031 Uiso 1 calc R .
C14 C 0.8702(19) 0.4237(18) 0.2508(9) 0.039(4) Uiso 1 d . .
H14 H 0.9314(19) 0.3653(18) 0.2321(9) 0.047 Uiso 1 calc R .
C15 C 0.9220(19) 0.5180(17) 0.3036(9) 0.037(4) Uiso 1 d . .
H15 H 1.0180(19) 0.5224(17) 0.3223(9) 0.044 Uiso 1 calc R .
C16 C 0.8316(18) 0.6070(17) 0.3294(9) 0.033(4) Uiso 1 d . .
H16 H 0.8690(18) 0.6732(17) 0.3643(9) 0.040 Uiso 1 calc R .
C17 C 0.6347(20) 0.7751(17) 0.3937(9) 0.037(4) Uiso 1 d . .
H17 H 0.7317(20) 0.7857(17) 0.4111(9) 0.044 Uiso 1 calc R .
C18 C 0.5376(18) 0.8471(17) 0.4237(9) 0.034(4) Uiso 1 d . .
H18 H 0.5708(18) 0.9074(17) 0.4619(9) 0.040 Uiso 1 calc R .
C19 C 0.3973(18) 0.8366(16) 0.4017(8) 0.031(4) Uiso 1 d . .
H19 H 0.3326(18) 0.8856(16) 0.4243(8) 0.037 Uiso 1 calc R .
C20 C 0.3540(20) 0.7512(17) 0.3451(9) 0.040(4) Uiso 1 d . .
H20 H 0.2566(20) 0.7438(17) 0.3283(9) 0.047 Uiso 1 calc R .
C21 C 0.2500(18) 0.5810(17) 0.2181(8) 0.033(4) Uiso 1 d . .
H21 H 0.1926(18) 0.6479(17) 0.2311(8) 0.040 Uiso 1 calc R .
C22 C 0.1965(18) 0.4850(15) 0.1671(8) 0.029(4) Uiso 1 d . .
H22 H 0.1020(18) 0.4847(15) 0.1470(8) 0.035 Uiso 1 calc R .
C23 C 0.2808(18) 0.3874(17) 0.1446(9) 0.033(4) Uiso 1 d . .
H23 H 0.2425(18) 0.3197(17) 0.1107(9) 0.040 Uiso 1 calc R .
C24 C 0.4196(17) 0.3914(16) 0.1723(8) 0.028(4) Uiso 1 d . .
H24 H 0.4760(17) 0.3256(16) 0.1569(8) 0.034 Uiso 1 calc R .
C25 C 0.4816(17) 0.4925(15) 0.2239(8) 0.027(4) Uiso 1 d . .
C26 C 0.6323(17) 0.5039(15) 0.2512(8) 0.026(4) Uiso 1 d . .
C27 C 0.6885(18) 0.6005(16) 0.3050(8) 0.032(4) Uiso 1 d . .
C28 C 0.5871(16) 0.6850(15) 0.3364(8) 0.023(4) Uiso 1 d . .
C29 C 0.4450(18) 0.6730(17) 0.3098(8) 0.032(4) Uiso 1 d . .
C30 C 0.3862(17) 0.5823(15) 0.2511(8) 0.025(4) Uiso 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'
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
_geom_angle_publ_flag
O1 Rh1 O3 175.6(4) . . y
O1 Rh1 O2 90.1(5) . . y
O3 Rh1 O2 89.8(5) . . y
O1 Rh1 O4 89.6(5) . . y
O3 Rh1 O4 90.1(5) . . y
O2 Rh1 O4 174.6(4) . . y
O1 Rh1 Rh2 87.9(3) . . y
O3 Rh1 Rh2 87.7(3) . . y
O2 Rh1 Rh2 87.6(3) . . y
O4 Rh1 Rh2 87.0(3) . . y
O1 Rh1 C13 98.8(5) . . n
O3 Rh1 C13 85.6(4) . . n
O2 Rh1 C13 81.1(5) . . n
O4 Rh1 C13 104.3(5) . . n
Rh2 Rh1 C13 166.8(4) . . y
O1 Rh1 C14 77.9(5) . . n
O3 Rh1 C14 106.4(5) . . n
O2 Rh1 C14 102.6(5) . . n
O4 Rh1 C14 82.6(5) . . n
Rh2 Rh1 C14 162.4(4) . . y
C13 Rh1 C14 30.1(5) . . y
O6 Rh2 O5 91.8(4) . . y
O6 Rh2 O8 175.9(4) . . y
O5 Rh2 O8 88.6(5) . . y
O6 Rh2 O7 89.8(4) . . y
O5 Rh2 O7 175.0(4) . . y
O8 Rh2 O7 89.4(5) . . y
O6 Rh2 Rh1 87.8(3) . . y
O5 Rh2 Rh1 87.3(3) . . y
O8 Rh2 Rh1 88.1(3) . . y
O7 Rh2 Rh1 88.0(3) . . y
O6 Rh2 C18 93.7(5) . 1_545 n
O5 Rh2 C18 105.4(5) . 1_545 n
O8 Rh2 C18 90.1(5) . 1_545 n
O7 Rh2 C18 79.2(5) . 1_545 n
Rh1 Rh2 C18 167.1(4) . 1_545 y
O6 Rh2 C17 88.9(5) . 1_545 n
O5 Rh2 C17 76.3(5) . 1_545 n
O8 Rh2 C17 95.2(5) . 1_545 n
O7 Rh2 C17 108.5(5) . 1_545 n
Rh1 Rh2 C17 163.1(4) . 1_545 y
C18 Rh2 C17 29.7(5) 1_545 1_545 y
O12 Rh3 O11 89.9(5) . . y
O12 Rh3 O10 175.9(5) . . y
O11 Rh3 O10 90.4(5) . . y
O12 Rh3 O9 91.1(5) . . y
O11 Rh3 O9 175.2(5) . . y
O10 Rh3 O9 88.3(5) . . y
O12 Rh3 Rh3 87.7(3) . 2_665 y
O11 Rh3 Rh3 87.0(3) . 2_665 y
O10 Rh3 Rh3 88.2(3) . 2_665 y
O9 Rh3 Rh3 88.4(3) . 2_665 y
O12 Rh3 C24 84.6(5) . . n
O11 Rh3 C24 80.8(5) . . n
O10 Rh3 C24 99.5(5) . . n
O9 Rh3 C24 104.0(5) . . n
Rh3 Rh3 C24 165.5(4) 2_665 . y
O12 Rh3 C23 105.3(5) . . n
O11 Rh3 C23 102.1(5) . . n
O10 Rh3 C23 78.7(5) . . n
O9 Rh3 C23 82.1(5) . . n
Rh3 Rh3 C23 164.0(4) 2_665 . y
C24 Rh3 C23 29.9(5) . . y
C1 O1 Rh1 117.4(11) . . n
C2 O2 Rh1 118.3(10) . . n
C3 O3 Rh1 117.7(11) . . n
C4 O4 Rh1 117.8(12) . . n
C1 O5 Rh2 118.8(11) . . n
C2 O6 Rh2 117.3(10) . . n
C3 O7 Rh2 115.3(10) . . n
C4 O8 Rh2 116.3(10) . . n
C9 O9 Rh3 116.0(11) . . n
C10 O10 Rh3 115.3(11) . . n
C9 O11 Rh3 118.5(11) 2_665 . n
C10 O12 Rh3 116.1(10) 2_665 . n
O5 C1 O1 128.6(16) . . n
O5 C1 C5 116.9(16) . . n
O1 C1 C5 114.4(16) . . n
O2 C2 O6 129.0(14) . . n
O2 C2 C6 117.1(14) . . n
O6 C2 C6 113.9(14) . . n
O3 C3 O7 131.2(16) . . n
O3 C3 C7 115.5(16) . . n
O7 C3 C7 113.3(16) . . n
O4 C4 O8 130.8(17) . . n
O4 C4 C8 114.7(17) . . n
O8 C4 C8 114.5(16) . . n
F1 C5 F3 114.0(19) . . n
F1 C5 F2 106.6(19) . . n
F3 C5 F2 97.6(19) . . n
F1 C5 C1 110.5(17) . . n
F3 C5 C1 117.5(18) . . n
F2 C5 C1 109.2(16) . . n
F1X C5 F2X 110.0(24) . . n
F1X C5 F3X 109.0(21) . . n
F2X C5 F3X 96.9(22) . . n
F1X C5 C1 118.2(22) . . n
F2X C5 C1 115.5(23) . . n
F3X C5 C1 104.6(17) . . n
F6 C6 F5 106.8(21) . . n
F6 C6 F4 109.3(21) . . n
F5 C6 F4 107.9(19) . . n
F6 C6 C2 110.8(18) . . n
F5 C6 C2 112.3(17) . . n
F4 C6 C2 109.7(17) . . n
F5X C6 F4X 111.9(20) . . n
F5X C6 F6X 105.0(20) . . n
F4X C6 F6X 110.1(20) . . n
F5X C6 C2 113.6(18) . . n
F4X C6 C2 108.1(17) . . n
F6X C6 C2 108.0(16) . . n
F7 C7 F9 109.7(21) . . n
F7 C7 F8 110.1(20) . . n
F9 C7 F8 100.7(20) . . n
F7 C7 C3 114.4(19) . . n
F9 C7 C3 113.0(19) . . n
F8 C7 C3 108.0(16) . . n
F7X C7 F8X 114.1(22) . . n
F7X C7 F9X 107.4(20) . . n
F8X C7 F9X 101.1(22) . . n
F7X C7 C3 114.4(18) . . n
F8X C7 C3 112.7(21) . . n
F9X C7 C3 105.7(18) . . n
F10 C8 F11 110.2(23) . . n
F10 C8 F12 107.7(22) . . n
F11 C8 F12 103.8(21) . . n
F10 C8 C4 114.9(24) . . n
F11 C8 C4 114.7(19) . . n
F12 C8 C4 104.5(18) . . n
F12X C8 F10X 109.4(20) . . n
F12X C8 F11X 108.4(23) . . n
F10X C8 F11X 103.2(20) . . n
F12X C8 C4 116.9(21) . . n
F10X C8 C4 108.9(18) . . n
F11X C8 C4 109.1(19) . . n
O11 C9 O9 130.0(17) 2_665 . n
O11 C9 C11 115.1(16) 2_665 . n
O9 C9 C11 114.9(16) . . n
O10 C10 O12 132.7(16) . 2_665 n
O10 C10 C12 112.2(15) . . n
O12 C10 C12 114.8(15) 2_665 . n
F13 C11 F14 109.5(25) . . n
F13 C11 F15 104.5(25) . . n
F14 C11 F15 108.6(24) . . n
F13 C11 C9 113.1(20) . . n
F14 C11 C9 114.6(20) . . n
F15 C11 C9 106.0(20) . . n
F15X C11 F13X 104.2(24) . . n
F15X C11 F14X 109.1(25) . . n
F13X C11 F14X 103.2(24) . . n
F15X C11 C9 113.8(22) . . n
F13X C11 C9 115.8(19) . . n
F14X C11 C9 110.1(22) . . n
F13Y C11 F14Y 105.8(23) . . n
F13Y C11 F15Y 104.5(24) . . n
F14Y C11 F15Y 112.2(23) . . n
F13Y C11 C9 109.4(21) . . n
F14Y C11 C9 112.4(17) . . n
F15Y C11 C9 112.0(22) . . n
F18 C12 F17 112.3(21) . . n
F18 C12 F16 108.3(18) . . n
F17 C12 F16 106.4(18) . . n
F18 C12 C10 108.3(16) . . n
F17 C12 C10 112.8(16) . . n
F16 C12 C10 108.6(16) . . n
F18X C12 F17X 110.1(22) . . n
F18X C12 F16X 107.5(19) . . n
F17X C12 F16X 107.6(19) . . n
F18X C12 C10 116.3(18) . . n
F17X C12 C10 106.2(18) . . n
F16X C12 C10 108.8(16) . . n
C14 C13 C26 122.1(16) . . y
C14 C13 Rh1 81.4(10) . . n
C26 C13 Rh1 105.9(10) . . n
C15 C14 C13 119.5(17) . . y
C15 C14 Rh1 110.4(12) . . n
C13 C14 Rh1 68.5(9) . . n
C14 C15 C16 119.8(17) . . y
C27 C16 C15 121.7(16) . . y
C18 C17 C28 118.9(17) . . y
C19 C18 C17 123.7(17) . . y
C19 C18 Rh2 104.1(11) . 1_565 n
C17 C18 Rh2 81.2(10) . 1_565 n
C18 C19 C20 116.4(17) . . y
C19 C20 C29 124.6(17) . . y
C22 C21 C30 121.7(16) . . y
C21 C22 C23 120.7(16) . . y
C24 C23 C22 119.3(16) . . y
C24 C23 Rh3 71.4(10) . . n
C22 C23 Rh3 112.4(11) . . n
C23 C24 C25 122.0(15) . . y
C23 C24 Rh3 78.7(10) . . n
C25 C24 Rh3 109.3(10) . . n
C24 C25 C30 116.7(14) . . y
C24 C25 C26 123.0(14) . . y
C30 C25 C26 120.2(14) . . y
C27 C26 C13 117.2(14) . . y
C27 C26 C25 121.7(14) . . y
C13 C26 C25 121.1(14) . . y
C16 C27 C26 119.6(15) . . y
C16 C27 C28 122.7(15) . . y
C26 C27 C28 117.6(14) . . y
C29 C28 C17 120.1(15) . . y
C29 C28 C27 119.8(14) . . y
C17 C28 C27 120.0(15) . . y
C28 C29 C20 116.2(16) . . y
C28 C29 C30 124.0(15) . . y
C20 C29 C30 119.8(15) . . y
C21 C30 C25 118.8(15) . . y
C21 C30 C29 124.8(15) . . y
C25 C30 C29 116.4(14) . . y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.021(11) . y
Rh1 O3 2.026(10) . y
Rh1 O2 2.027(10) . y
Rh1 O4 2.046(12) . y
Rh1 Rh2 2.422(2) . y
Rh1 C13 2.56(2) . y
Rh1 C14 2.72(2) . y
Rh2 O6 2.031(11) . y
Rh2 O5 2.032(11) . y
Rh2 O8 2.042(11) . y
Rh2 O7 2.057(10) . y
Rh2 C18 2.58(2) 1_545 y
Rh2 C17 2.73(2) 1_545 y
Rh3 O12 2.021(12) . y
Rh3 O11 2.029(11) . y
Rh3 O10 2.035(12) . y
Rh3 O9 2.043(12) . y
Rh3 Rh3 2.416(3) 2_665 y
Rh3 C24 2.59(2) . y
Rh3 C23 2.68(2) . y
O1 C1 1.28(2) . n
O2 C2 1.24(2) . n
O3 C3 1.23(2) . n
O4 C4 1.23(2) . n
O5 C1 1.22(2) . n
O6 C2 1.27(2) . n
O7 C3 1.26(2) . n
O8 C4 1.25(2) . n
O9 C9 1.25(2) . n
O10 C10 1.23(2) . n
O11 C9 1.23(2) 2_665 n
O12 C10 1.25(2) 2_665 n
C1 C5 1.51(3) . n
C2 C6 1.55(2) . n
C3 C7 1.56(3) . n
C4 C8 1.54(3) . n
C5 F1 1.31(2) . n
C5 F3 1.32(2) . n
C5 F2 1.38(2) . n
C5 F1X 1.30(2) . n
C5 F2X 1.34(3) . n
C5 F3X 1.39(2) . n
C6 F6 1.31(2) . n
C6 F5 1.31(2) . n
C6 F4 1.34(2) . n
C6 F5X 1.30(2) . n
C6 F4X 1.32(2) . n
C6 F6X 1.34(2) . n
C7 F7 1.29(2) . n
C7 F9 1.33(2) . n
C7 F8 1.38(2) . n
C7 F7X 1.30(2) . n
C7 F8X 1.30(3) . n
C7 F9X 1.37(2) . n
C8 F10 1.30(3) . n
C8 F11 1.31(2) . n
C8 F12 1.37(2) . n
C8 F12X 1.28(2) . n
C8 F10X 1.35(2) . n
C8 F11X 1.35(2) . n
C9 O11 1.23(2) 2_665 n
C9 C11 1.54(3) . n
C10 O12 1.25(2) 2_665 n
C10 C12 1.60(2) . n
C11 F13 1.27(2) . n
C11 F14 1.33(2) . n
C11 F15 1.36(3) . n
C11 F15X 1.31(3) . n
C11 F13X 1.31(2) . n
C11 F14X 1.38(3) . n
C11 F13Y 1.31(3) . n
C11 F14Y 1.32(2) . n
C11 F15Y 1.33(3) . n
C12 F18 1.30(2) . n
C12 F17 1.31(2) . n
C12 F16 1.38(2) . n
C12 F18X 1.30(2) . n
C12 F17X 1.34(2) . n
C12 F16X 1.36(2) . n
C13 C14 1.38(2) . y
C13 C26 1.42(2) . y
C14 C15 1.38(2) . y
C15 C16 1.39(2) . y
C16 C27 1.38(2) . y
C17 C18 1.37(2) . y
C17 C28 1.40(2) . y
C18 C19 1.34(2) . y
C19 C20 1.36(2) . y
C20 C29 1.41(2) . y
C21 C22 1.37(2) . y
C21 C30 1.38(2) . y
C22 C23 1.40(2) . y
C23 C24 1.36(2) . y
C24 C25 1.43(2) . y
C25 C30 1.44(2) . y
C25 C26 1.46(2) . y
C26 C27 1.41(2) . y
C27 C28 1.48(2) . y
C28 C29 1.38(2) . y
C29 C30 1.45(2) . y
