# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'D Sweigart'
_publ_contact_author_email       'DWIGHT SWEIGART@BROWN.EDU'

_publ_section_title              
;
Organometallic crystal engineering of [(1,4- and
1,3-hydroquinone)Rh(P(OPh)3)2]BF4 by charge assisted hydrogen bonding
;
loop_
_publ_author_name
'Seung Uk Son.'
'J. A. Reingold'
'G. B. Carpenter'
'D. A. Sweigart'

# Attachment 'ssbf.cif'

data_ssbf1r3bar
_database_code_depnum_ccdc_archive 'CCDC 285472'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H36 B F4 O8 P2 Rh'
_chemical_formula_weight         920.37

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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Rhombohedral
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_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'

_cell_length_a                   38.4631(17)
_cell_length_b                   38.4631(17)
_cell_length_c                   14.9277(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     19125(2)
_cell_formula_units_Z            18
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6349
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      23.11

_exptl_crystal_description       cubic
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8424
_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            75912
_diffrn_reflns_av_R_equivalents  0.1673
_diffrn_reflns_av_sigmaI/netI    0.1403
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         28.37
_reflns_number_total             10482
_reflns_number_gt                4616
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1310P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10482
_refine_ls_number_parameters     523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1665
_refine_ls_R_factor_gt           0.0743
_refine_ls_wR_factor_ref         0.2307
_refine_ls_wR_factor_gt          0.1919
_refine_ls_goodness_of_fit_ref   0.855
_refine_ls_restrained_S_all      0.855
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
B1 B 0.2291(5) 0.1830(4) 0.0847(8) 0.097(4) Uani 1 1 d . . .
C1 C 0.4863(3) 0.1061(3) 0.4271(4) 0.072(2) Uani 1 1 d . . .
C2 C 0.5179(3) 0.1008(3) 0.4489(5) 0.072(2) Uani 1 1 d . . .
H2 H 0.5446 0.1212 0.4359 0.086 Uiso 1 1 calc R . .
C3 C 0.5107(3) 0.0655(3) 0.4904(5) 0.070(2) Uani 1 1 d . . .
H3 H 0.5321 0.0611 0.5067 0.083 Uiso 1 1 calc R . .
C4 C 0.4701(3) 0.0360(2) 0.5075(5) 0.077(3) Uani 1 1 d . . .
C5 C 0.4380(3) 0.0419(3) 0.4818(5) 0.080(3) Uani 1 1 d . . .
H5 H 0.4110 0.0218 0.4925 0.096 Uiso 1 1 calc R . .
C6 C 0.4468(3) 0.0767(3) 0.4419(5) 0.079(2) Uani 1 1 d . . .
H6 H 0.4256 0.0811 0.4236 0.094 Uiso 1 1 calc R . .
C7 C 0.5212(4) 0.2213(3) 0.5345(8) 0.114(4) Uani 1 1 d . . .
C8 C 0.5026(4) 0.2293(4) 0.4669(10) 0.148(5) Uani 1 1 d . . .
H8 H 0.4856 0.2079 0.4280 0.177 Uiso 1 1 calc R . .
C9 C 0.5066(7) 0.2668(5) 0.4511(16) 0.242(12) Uani 1 1 d . . .
H9 H 0.4945 0.2719 0.4012 0.291 Uiso 1 1 calc R . .
C10 C 0.5301(7) 0.2966(6) 0.5145(13) 0.191(7) Uani 1 1 d . . .
H10 H 0.5310 0.3217 0.5125 0.229 Uiso 1 1 calc R . .
C11 C 0.5536(10) 0.2893(5) 0.5856(11) 0.296(16) Uani 1 1 d . . .
H11 H 0.5728 0.3103 0.6224 0.355 Uiso 1 1 calc R . .
C12 C 0.5458(4) 0.2506(3) 0.5937(8) 0.153(6) Uani 1 1 d . . .
H12 H 0.5576 0.2438 0.6415 0.183 Uiso 1 1 calc R . .
C13 C 0.5710(2) 0.1740(2) 0.7067(6) 0.064(2) Uani 1 1 d . . .
C14 C 0.5858(3) 0.1786(2) 0.7893(7) 0.084(3) Uani 1 1 d . . .
H14 H 0.5732 0.1831 0.8392 0.101 Uiso 1 1 calc R . .
C15 C 0.6215(4) 0.1763(3) 0.7988(11) 0.132(5) Uani 1 1 d . . .
H15 H 0.6327 0.1784 0.8566 0.158 Uiso 1 1 calc R . .
C16 C 0.6401(4) 0.1710(4) 0.7234(15) 0.141(7) Uani 1 1 d . . .
H16 H 0.6643 0.1702 0.7293 0.170 Uiso 1 1 calc R . .
C17 C 0.6237(3) 0.1672(3) 0.6453(12) 0.132(5) Uani 1 1 d . . .
H17 H 0.6364 0.1631 0.5950 0.159 Uiso 1 1 calc R . .
C18 C 0.5891(2) 0.1687(2) 0.6307(8) 0.089(3) Uani 1 1 d . . .
H18 H 0.5782 0.1664 0.5725 0.107 Uiso 1 1 calc R . .
C19 C 0.4322(2) 0.1529(2) 0.6564(4) 0.0559(17) Uani 1 1 d . . .
C20 C 0.4177(2) 0.1450(2) 0.5691(4) 0.0624(19) Uani 1 1 d . . .
H20 H 0.4348 0.1479 0.5202 0.075 Uiso 1 1 calc R . .
C21 C 0.3781(2) 0.1328(2) 0.5555(5) 0.068(2) Uani 1 1 d . . .
H21 H 0.3674 0.1268 0.4965 0.081 Uiso 1 1 calc R . .
C22 C 0.3537(2) 0.1291(2) 0.6258(5) 0.069(2) Uani 1 1 d . . .
H22 H 0.3265 0.1213 0.6146 0.083 Uiso 1 1 calc R . .
C23 C 0.3678(2) 0.1364(2) 0.7116(5) 0.068(2) Uani 1 1 d . . .
H23 H 0.3504 0.1332 0.7600 0.081 Uiso 1 1 calc R . .
C24 C 0.4076(2) 0.1485(2) 0.7273(5) 0.0637(19) Uani 1 1 d . . .
H24 H 0.4179 0.1538 0.7866 0.076 Uiso 1 1 calc R . .
C25 C 0.50596(19) 0.0309(2) 0.7265(4) 0.0475(15) Uani 1 1 d . . .
C26 C 0.5008(2) -0.0076(2) 0.7215(4) 0.0519(16) Uani 1 1 d . . .
H26 H 0.4749 -0.0306 0.7268 0.062 Uiso 1 1 calc R . .
C27 C 0.5346(2) -0.0115(2) 0.7087(4) 0.0570(17) Uani 1 1 d . . .
H27 H 0.5319 -0.0374 0.7086 0.068 Uiso 1 1 calc R . .
C28 C 0.5719(2) 0.0219(2) 0.6963(4) 0.0586(18) Uani 1 1 d . . .
H28 H 0.5947 0.0190 0.6855 0.070 Uiso 1 1 calc R . .
C29 C 0.5756(2) 0.0596(2) 0.6997(4) 0.0555(17) Uani 1 1 d . . .
H29 H 0.6013 0.0826 0.6906 0.067 Uiso 1 1 calc R . .
C30 C 0.54349(19) 0.0646(2) 0.7156(4) 0.0487(15) Uani 1 1 d . . .
H30 H 0.5468 0.0907 0.7192 0.058 Uiso 1 1 calc R . .
C31 C 0.38574(18) 0.0257(2) 0.6851(4) 0.0489(15) Uani 1 1 d . . .
C32 C 0.3719(2) -0.0143(2) 0.6701(5) 0.074(2) Uani 1 1 d . . .
H32 H 0.3835 -0.0277 0.7008 0.089 Uiso 1 1 calc R . .
C33 C 0.3404(2) -0.0351(3) 0.6088(6) 0.083(3) Uani 1 1 d . . .
H33 H 0.3306 -0.0627 0.5963 0.100 Uiso 1 1 calc R . .
C34 C 0.3243(2) -0.0148(3) 0.5676(5) 0.085(3) Uani 1 1 d . . .
H34 H 0.3033 -0.0284 0.5253 0.102 Uiso 1 1 calc R . .
C35 C 0.3372(2) 0.0240(3) 0.5852(5) 0.069(2) Uani 1 1 d . . .
H35 H 0.3249 0.0371 0.5566 0.083 Uiso 1 1 calc R . .
C36 C 0.3687(2) 0.0451(2) 0.6454(4) 0.0592(18) Uani 1 1 d . . .
H36 H 0.3779 0.0726 0.6582 0.071 Uiso 1 1 calc R . .
C37 C 0.47930(19) 0.09284(18) 0.8859(4) 0.0476(15) Uani 1 1 d . . .
C38 C 0.5105(2) 0.0933(2) 0.9318(4) 0.0553(17) Uani 1 1 d . . .
H38 H 0.5333 0.0961 0.9007 0.066 Uiso 1 1 calc R . .
C39 C 0.5083(2) 0.0896(2) 1.0232(5) 0.067(2) Uani 1 1 d . . .
H39 H 0.5300 0.0906 1.0554 0.080 Uiso 1 1 calc R . .
C40 C 0.4750(2) 0.0846(2) 1.0690(4) 0.064(2) Uani 1 1 d . . .
H40 H 0.4731 0.0810 1.1321 0.077 Uiso 1 1 calc R . .
C41 C 0.4444(2) 0.0850(2) 1.0216(4) 0.0569(17) Uani 1 1 d . . .
H41 H 0.4217 0.0822 1.0530 0.068 Uiso 1 1 calc R . .
C42 C 0.44611(19) 0.0895(2) 0.9289(4) 0.0515(16) Uani 1 1 d . . .
H42 H 0.4252 0.0901 0.8967 0.062 Uiso 1 1 calc R . .
F1 F 0.2405(2) 0.18723(18) -0.0044(4) 0.123(2) Uani 1 1 d . . .
F2 F 0.2014(2) 0.1463(2) 0.1075(5) 0.135(2) Uani 1 1 d . . .
F3 F 0.2624(3) 0.1969(2) 0.1363(5) 0.179(4) Uani 1 1 d . . .
F4 F 0.2141(2) 0.2095(2) 0.0933(4) 0.151(3) Uani 1 1 d . . .
O1 O 0.4987(4) 0.1398(3) 0.3838(6) 0.198(5) Uani 1 1 d . . .
H1 H 0.4790 0.1425 0.3706 0.296 Uiso 1 1 calc R . .
O2 O 0.4574(3) -0.0010(3) 0.5455(5) 0.134(3) Uani 1 1 d . . .
H2A H 0.4431 -0.0191 0.5086 0.201 Uiso 1 1 calc R . .
O3 O 0.51673(16) 0.18272(15) 0.5411(3) 0.0708(14) Uani 1 1 d . . .
O4 O 0.53593(14) 0.17602(13) 0.6987(3) 0.0612(12) Uani 1 1 d . . .
O5 O 0.47289(13) 0.16616(14) 0.6783(3) 0.0575(12) Uani 1 1 d . . .
O6 O 0.47130(12) 0.03270(12) 0.7426(3) 0.0472(10) Uani 1 1 d . . .
O7 O 0.41777(12) 0.04728(13) 0.7460(2) 0.0473(10) Uani 1 1 d . . .
O8 O 0.48364(12) 0.10087(12) 0.7934(3) 0.0463(10) Uani 1 1 d . . .
P1 P 0.50126(6) 0.15384(6) 0.62636(12) 0.0546(5) Uani 1 1 d . . .
P2 P 0.46376(5) 0.06903(5) 0.71525(10) 0.0452(4) Uani 1 1 d . . .
Rh1 Rh 0.480443(15) 0.092847(16) 0.58044(3) 0.04800(19) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
B1 0.147(12) 0.113(10) 0.064(7) 0.006(7) -0.012(7) 0.091(10)
C1 0.109(7) 0.075(5) 0.029(3) 0.014(3) 0.009(4) 0.044(6)
C2 0.065(5) 0.077(6) 0.064(5) -0.010(4) 0.006(4) 0.029(4)
C3 0.070(5) 0.095(6) 0.056(5) -0.016(4) -0.007(4) 0.050(5)
C4 0.141(9) 0.048(4) 0.040(4) 0.006(3) 0.010(5) 0.047(5)
C5 0.064(5) 0.115(7) 0.044(4) 0.001(5) -0.002(4) 0.030(5)
C6 0.089(7) 0.130(8) 0.043(4) 0.001(5) -0.006(4) 0.074(6)
C7 0.149(10) 0.070(7) 0.094(7) 0.023(6) 0.003(7) 0.033(7)
C8 0.171(13) 0.109(9) 0.160(12) 0.043(8) -0.029(10) 0.068(9)
C9 0.34(3) 0.111(12) 0.27(2) 0.047(14) -0.11(2) 0.105(15)
C10 0.28(2) 0.149(15) 0.137(14) 0.024(12) 0.035(14) 0.100(16)
C11 0.65(5) 0.114(12) 0.100(11) 0.028(9) 0.065(19) 0.17(2)
C12 0.222(15) 0.076(8) 0.097(8) 0.032(6) -0.033(9) 0.028(9)
C13 0.051(4) 0.056(4) 0.090(6) 0.008(4) -0.012(4) 0.030(4)
C14 0.071(6) 0.069(5) 0.111(8) 0.014(5) -0.005(5) 0.034(5)
C15 0.101(9) 0.082(7) 0.199(14) 0.014(8) -0.077(9) 0.036(7)
C16 0.065(8) 0.082(8) 0.28(2) -0.020(11) -0.028(11) 0.041(6)
C17 0.057(7) 0.094(8) 0.239(17) -0.051(10) 0.004(8) 0.034(6)
C18 0.052(5) 0.070(6) 0.137(9) -0.012(5) -0.008(5) 0.023(4)
C19 0.066(5) 0.073(5) 0.049(4) -0.002(3) -0.004(3) 0.050(4)
C20 0.078(5) 0.087(5) 0.047(4) 0.000(4) -0.006(4) 0.059(5)
C21 0.089(6) 0.084(6) 0.055(4) -0.014(4) -0.026(4) 0.062(5)
C22 0.069(5) 0.086(6) 0.074(5) -0.018(4) -0.019(4) 0.055(5)
C23 0.067(5) 0.083(6) 0.065(5) -0.014(4) -0.007(4) 0.046(4)
C24 0.082(5) 0.078(5) 0.047(4) -0.006(3) -0.006(4) 0.051(5)
C25 0.055(4) 0.056(4) 0.034(3) 0.000(3) -0.001(3) 0.030(3)
C26 0.064(4) 0.056(4) 0.034(3) 0.008(3) -0.001(3) 0.028(4)
C27 0.075(5) 0.070(5) 0.044(4) 0.000(3) -0.011(3) 0.049(4)
C28 0.057(4) 0.083(5) 0.051(4) -0.002(4) -0.005(3) 0.046(4)
C29 0.045(4) 0.069(5) 0.050(4) -0.005(3) -0.007(3) 0.027(4)
C30 0.050(4) 0.056(4) 0.041(3) 0.000(3) -0.003(3) 0.027(3)
C31 0.045(4) 0.070(5) 0.031(3) 0.003(3) 0.000(3) 0.028(3)
C32 0.063(5) 0.070(5) 0.072(5) 0.017(4) -0.018(4) 0.022(4)
C33 0.071(5) 0.079(6) 0.080(6) -0.001(5) -0.029(5) 0.023(5)
C34 0.055(5) 0.123(8) 0.054(5) 0.015(5) -0.014(4) 0.027(5)
C35 0.062(5) 0.092(6) 0.054(4) 0.011(4) -0.004(4) 0.039(5)
C36 0.057(4) 0.075(5) 0.048(4) 0.004(3) -0.003(3) 0.034(4)
C37 0.054(4) 0.045(4) 0.036(3) 0.003(3) 0.004(3) 0.019(3)
C38 0.057(4) 0.070(5) 0.046(4) -0.002(3) -0.007(3) 0.036(4)
C39 0.069(5) 0.083(5) 0.050(4) 0.003(4) -0.010(4) 0.039(4)
C40 0.074(5) 0.082(5) 0.040(4) 0.003(3) 0.000(3) 0.042(4)
C41 0.065(4) 0.072(5) 0.045(4) 0.002(3) 0.010(3) 0.042(4)
C42 0.050(4) 0.062(4) 0.048(4) 0.005(3) -0.007(3) 0.032(3)
F1 0.153(5) 0.123(5) 0.097(4) -0.010(4) 0.017(4) 0.072(4)
F2 0.142(5) 0.127(5) 0.159(6) 0.054(5) 0.033(5) 0.084(5)
F3 0.198(8) 0.164(7) 0.146(6) 0.067(5) -0.064(6) 0.069(6)
F4 0.215(8) 0.151(6) 0.111(5) 0.005(4) 0.036(5) 0.110(6)
O1 0.271(13) 0.210(11) 0.104(7) 0.018(7) 0.001(7) 0.115(10)
O2 0.160(7) 0.162(8) 0.111(6) -0.030(5) -0.023(5) 0.103(7)
O3 0.093(4) 0.062(3) 0.064(3) 0.023(2) 0.020(3) 0.044(3)
O4 0.062(3) 0.055(3) 0.068(3) 0.007(2) 0.003(2) 0.030(2)
O5 0.060(3) 0.073(3) 0.051(3) -0.003(2) -0.008(2) 0.042(3)
O6 0.048(2) 0.051(3) 0.043(2) 0.0101(19) 0.0026(19) 0.026(2)
O7 0.046(2) 0.063(3) 0.031(2) 0.0059(19) 0.0034(18) 0.026(2)
O8 0.051(3) 0.046(2) 0.041(2) 0.0054(18) -0.0022(19) 0.023(2)
P1 0.0614(11) 0.0602(11) 0.0491(10) 0.0112(8) 0.0033(8) 0.0357(10)
P2 0.0472(9) 0.0536(10) 0.0364(8) 0.0046(7) 0.0002(7) 0.0264(8)
Rh1 0.0507(3) 0.0602(4) 0.0365(3) 0.0084(2) 0.0030(2) 0.0303(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
B1 F2 1.319(15) . ?
B1 F3 1.352(14) . ?
B1 F1 1.385(12) . ?
B1 F4 1.406(13) . ?
C1 O1 1.307(12) . ?
C1 C2 1.370(11) . ?
C1 C6 1.384(12) . ?
C1 Rh1 2.332(7) . ?
C2 C3 1.391(11) . ?
C2 Rh1 2.363(8) . ?
C3 C4 1.420(12) . ?
C3 Rh1 2.345(7) . ?
C4 O2 1.376(10) . ?
C4 C5 1.415(12) . ?
C4 Rh1 2.292(7) . ?
C5 C6 1.344(12) . ?
C5 Rh1 2.339(8) . ?
C6 Rh1 2.353(7) . ?
C7 C8 1.360(15) . ?
C7 C12 1.369(15) . ?
C7 O3 1.410(11) . ?
C8 C9 1.388(17) . ?
C9 C10 1.41(2) . ?
C10 C11 1.51(3) . ?
C11 C12 1.367(18) . ?
C13 C14 1.332(11) . ?
C13 O4 1.393(8) . ?
C13 C18 1.398(12) . ?
C14 C15 1.427(15) . ?
C15 C16 1.404(19) . ?
C16 C17 1.298(19) . ?
C17 C18 1.379(14) . ?
C19 C24 1.373(9) . ?
C19 C20 1.391(9) . ?
C19 O5 1.419(8) . ?
C20 C21 1.365(10) . ?
C21 C22 1.367(10) . ?
C22 C23 1.364(10) . ?
C23 C24 1.380(10) . ?
C25 C30 1.386(9) . ?
C25 O6 1.390(7) . ?
C25 C26 1.392(9) . ?
C26 C27 1.394(9) . ?
C27 C28 1.377(10) . ?
C28 C29 1.385(9) . ?
C29 C30 1.365(9) . ?
C31 C36 1.352(9) . ?
C31 C32 1.371(10) . ?
C31 O7 1.418(7) . ?
C32 C33 1.406(10) . ?
C33 C34 1.365(12) . ?
C34 C35 1.340(12) . ?
C35 C36 1.396(10) . ?
C37 C38 1.375(9) . ?
C37 C42 1.376(9) . ?
C37 O8 1.406(7) . ?
C38 C39 1.369(9) . ?
C39 C40 1.377(10) . ?
C40 C41 1.378(9) . ?
C41 C42 1.392(8) . ?
O3 P1 1.595(5) . ?
O4 P1 1.592(5) . ?
O5 P1 1.592(5) . ?
O6 P2 1.616(4) . ?
O7 P2 1.600(4) . ?
O8 P2 1.584(4) . ?
P1 Rh1 2.176(2) . ?
P2 Rh1 2.1709(16) . ?

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
F2 B1 F3 112.0(9) . . ?
F2 B1 F1 114.3(11) . . ?
F3 B1 F1 108.6(12) . . ?
F2 B1 F4 110.4(12) . . ?
F3 B1 F4 108.1(11) . . ?
F1 B1 F4 102.9(8) . . ?
O1 C1 C2 110.6(10) . . ?
O1 C1 C6 126.7(10) . . ?
C2 C1 C6 122.3(8) . . ?
O1 C1 Rh1 130.5(7) . . ?
C2 C1 Rh1 74.3(4) . . ?
C6 C1 Rh1 73.7(4) . . ?
C1 C2 C3 119.5(8) . . ?
C1 C2 Rh1 71.8(4) . . ?
C3 C2 Rh1 72.1(4) . . ?
C2 C3 C4 117.5(7) . . ?
C2 C3 Rh1 73.5(5) . . ?
C4 C3 Rh1 70.1(4) . . ?
O2 C4 C5 113.0(9) . . ?
O2 C4 C3 125.4(9) . . ?
C5 C4 C3 121.5(7) . . ?
O2 C4 Rh1 126.4(5) . . ?
C5 C4 Rh1 74.0(5) . . ?
C3 C4 Rh1 74.2(4) . . ?
C6 C5 C4 118.4(8) . . ?
C6 C5 Rh1 74.0(5) . . ?
C4 C5 Rh1 70.4(4) . . ?
C5 C6 C1 120.6(8) . . ?
C5 C6 Rh1 72.8(5) . . ?
C1 C6 Rh1 72.0(4) . . ?
C8 C7 C12 121.2(11) . . ?
C8 C7 O3 119.3(11) . . ?
C12 C7 O3 119.4(11) . . ?
C7 C8 C9 124.2(15) . . ?
C8 C9 C10 115.1(16) . . ?
C9 C10 C11 121.2(17) . . ?
C12 C11 C10 116.0(19) . . ?
C11 C12 C7 121.6(15) . . ?
C14 C13 O4 115.6(8) . . ?
C14 C13 C18 124.0(8) . . ?
O4 C13 C18 120.4(7) . . ?
C13 C14 C15 116.4(11) . . ?
C16 C15 C14 120.4(12) . . ?
C17 C16 C15 118.9(12) . . ?
C16 C17 C18 124.1(14) . . ?
C17 C18 C13 116.2(11) . . ?
C24 C19 C20 121.2(7) . . ?
C24 C19 O5 115.8(6) . . ?
C20 C19 O5 123.0(6) . . ?
C21 C20 C19 118.2(7) . . ?
C20 C21 C22 120.7(7) . . ?
C23 C22 C21 121.2(7) . . ?
C22 C23 C24 119.2(7) . . ?
C19 C24 C23 119.5(7) . . ?
C30 C25 O6 123.3(6) . . ?
C30 C25 C26 121.1(6) . . ?
O6 C25 C26 115.6(6) . . ?
C25 C26 C27 118.5(6) . . ?
C28 C27 C26 120.8(7) . . ?
C27 C28 C29 118.9(6) . . ?
C30 C29 C28 121.9(7) . . ?
C29 C30 C25 118.7(6) . . ?
C36 C31 C32 121.7(6) . . ?
C36 C31 O7 118.5(6) . . ?
C32 C31 O7 119.8(6) . . ?
C31 C32 C33 119.0(7) . . ?
C34 C33 C32 118.5(8) . . ?
C35 C34 C33 121.8(8) . . ?
C34 C35 C36 120.4(8) . . ?
C31 C36 C35 118.6(7) . . ?
C38 C37 C42 122.0(6) . . ?
C38 C37 O8 118.7(6) . . ?
C42 C37 O8 118.8(6) . . ?
C39 C38 C37 119.1(7) . . ?
C38 C39 C40 121.0(7) . . ?
C39 C40 C41 118.8(6) . . ?
C40 C41 C42 121.6(6) . . ?
C37 C42 C41 117.4(6) . . ?
C7 O3 P1 126.6(6) . . ?
C13 O4 P1 127.1(5) . . ?
C19 O5 P1 125.2(4) . . ?
C25 O6 P2 126.2(4) . . ?
C31 O7 P2 122.1(3) . . ?
C37 O8 P2 126.5(4) . . ?
O5 P1 O4 91.4(3) . . ?
O5 P1 O3 104.7(3) . . ?
O4 P1 O3 104.3(3) . . ?
O5 P1 Rh1 122.5(2) . . ?
O4 P1 Rh1 123.32(19) . . ?
O3 P1 Rh1 107.9(2) . . ?
O8 P2 O7 100.0(2) . . ?
O8 P2 O6 104.9(2) . . ?
O7 P2 O6 96.0(2) . . ?
O8 P2 Rh1 115.46(17) . . ?
O7 P2 Rh1 120.21(16) . . ?
O6 P2 Rh1 117.17(16) . . ?
P2 Rh1 P1 91.99(7) . . ?
P2 Rh1 C4 99.46(19) . . ?
P1 Rh1 C4 166.5(2) . . ?
P2 Rh1 C1 168.0(2) . . ?
P1 Rh1 C1 97.5(2) . . ?
C4 Rh1 C1 72.2(3) . . ?
P2 Rh1 C5 107.2(2) . . ?
P1 Rh1 C5 145.9(3) . . ?
C4 Rh1 C5 35.6(3) . . ?
C1 Rh1 C5 61.0(3) . . ?
P2 Rh1 C3 116.8(2) . . ?
P1 Rh1 C3 131.8(2) . . ?
C4 Rh1 C3 35.6(3) . . ?
C1 Rh1 C3 61.3(3) . . ?
C5 Rh1 C3 63.8(3) . . ?
P2 Rh1 C6 134.1(3) . . ?
P1 Rh1 C6 114.8(3) . . ?
C4 Rh1 C6 61.3(3) . . ?
C1 Rh1 C6 34.4(3) . . ?
C5 Rh1 C6 33.3(3) . . ?
C3 Rh1 C6 73.1(3) . . ?
P2 Rh1 C2 149.0(2) . . ?
P1 Rh1 C2 104.5(2) . . ?
C4 Rh1 C2 62.1(3) . . ?
C1 Rh1 C2 33.9(3) . . ?
C5 Rh1 C2 73.2(3) . . ?
C3 Rh1 C2 34.4(3) . . ?
C6 Rh1 C2 61.6(3) . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        28.37
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         1.755
_refine_diff_density_min         -0.627
_refine_diff_density_rms         0.121


data_ssrp13real
_database_code_depnum_ccdc_archive 'CCDC 285473'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H36 B F4 O8 P2 Rh'
_chemical_formula_weight         920.37

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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Rhombohedral
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_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'

_cell_length_a                   38.721(4)
_cell_length_b                   38.721(4)
_cell_length_c                   14.661(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     19037(4)
_cell_formula_units_Z            18
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5494
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      19.81

_exptl_crystal_description       cubic
_exptl_crystal_colour            organge
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8424
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.8153
_exptl_absorpt_correction_T_max  0.8785
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            60797
_diffrn_reflns_av_R_equivalents  0.1640
_diffrn_reflns_av_sigmaI/netI    0.1073
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.02
_reflns_number_total             7470
_reflns_number_gt                5175
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.1043P)^2^+92.2917P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7470
_refine_ls_number_parameters     500
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1406
_refine_ls_R_factor_gt           0.0895
_refine_ls_wR_factor_ref         0.2226
_refine_ls_wR_factor_gt          0.1976
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_restrained_S_all      1.098
_refine_ls_shift/su_max          0.097
_refine_ls_shift/su_mean         0.005

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
B1 B 0.7677(6) 0.9523(4) 0.9197(11) 0.088(5) Uani 1 1 d . . .
C1 C 0.8115(5) 0.1034(3) 0.1659(6) 0.151(12) Uani 1 1 d G . .
C2 C 0.8435(3) 0.1034(3) 0.1372(7) 0.086(5) Uani 1 1 d GD . .
H2 H 0.8689 0.1266 0.1435 0.103 Uiso 1 1 calc R . .
C3 C 0.8405(3) 0.0713(4) 0.0998(6) 0.113(7) Uani 1 1 d G . .
C4 C 0.8055(5) 0.0392(3) 0.0911(6) 0.178(14) Uani 1 1 d GD . .
H4 H 0.8033 0.0159 0.0639 0.213 Uiso 1 1 calc R . .
C5 C 0.7735(3) 0.0392(4) 0.1198(7) 0.173(14) Uani 1 1 d G . .
H5 H 0.7481 0.0160 0.1135 0.208 Uiso 1 1 calc R . .
C6 C 0.7765(4) 0.0713(5) 0.1572(7) 0.168(14) Uani 1 1 d G . .
H6 H 0.7533 0.0713 0.1781 0.202 Uiso 1 1 calc R . .
C7 C 0.8394(2) 0.1411(2) 0.3921(5) 0.0316(18) Uani 1 1 d . . .
C8 C 0.8348(3) 0.1739(2) 0.3910(5) 0.037(2) Uani 1 1 d . . .
H8 H 0.8092 0.1711 0.3992 0.044 Uiso 1 1 calc R . .
C9 C 0.8683(3) 0.2115(2) 0.3777(5) 0.043(2) Uani 1 1 d . . .
H9 H 0.8659 0.2347 0.3793 0.051 Uiso 1 1 calc R . .
C10 C 0.9043(3) 0.2147(3) 0.3624(5) 0.044(2) Uani 1 1 d . . .
H10 H 0.9269 0.2402 0.3515 0.052 Uiso 1 1 calc R . .
C11 C 0.9083(3) 0.1815(2) 0.3625(6) 0.039(2) Uani 1 1 d . . .
H11 H 0.9337 0.1841 0.3516 0.047 Uiso 1 1 calc R . .
C12 C 0.8757(2) 0.1441(3) 0.3785(5) 0.038(2) Uani 1 1 d . . .
H12 H 0.8785 0.1211 0.3799 0.046 Uiso 1 1 calc R . .
C13 C 0.7193(2) 0.0268(2) 0.3532(5) 0.0305(18) Uani 1 1 d . . .
C14 C 0.7081(3) 0.0541(3) 0.3334(6) 0.048(2) Uani 1 1 d . . .
H14 H 0.7214 0.0799 0.3600 0.058 Uiso 1 1 calc R . .
C15 C 0.6763(3) 0.0428(3) 0.2723(7) 0.059(3) Uani 1 1 d . . .
H15 H 0.6674 0.0610 0.2577 0.070 Uiso 1 1 calc R . .
C16 C 0.6581(3) 0.0057(4) 0.2340(7) 0.061(3) Uani 1 1 d . . .
H16 H 0.6373 -0.0013 0.1909 0.073 Uiso 1 1 calc R . .
C17 C 0.6693(3) -0.0212(3) 0.2566(7) 0.057(3) Uani 1 1 d . . .
H17 H 0.6561 -0.0471 0.2303 0.069 Uiso 1 1 calc R . .
C18 C 0.7000(3) -0.0110(3) 0.3178(6) 0.046(2) Uani 1 1 d . . .
H18 H 0.7077 -0.0298 0.3351 0.055 Uiso 1 1 calc R . .
C19 C 0.8128(2) 0.0527(2) 0.5551(5) 0.0292(17) Uani 1 1 d . . .
C20 C 0.8433(3) 0.0846(2) 0.6019(6) 0.040(2) Uani 1 1 d . . .
H20 H 0.8654 0.1051 0.5697 0.048 Uiso 1 1 calc R . .
C21 C 0.8412(3) 0.0863(3) 0.6948(6) 0.050(2) Uani 1 1 d . . .
H21 H 0.8621 0.1078 0.7275 0.060 Uiso 1 1 calc R . .
C22 C 0.8085(3) 0.0567(3) 0.7416(6) 0.048(2) Uani 1 1 d . . .
H22 H 0.8066 0.0585 0.8059 0.057 Uiso 1 1 calc R . .
C23 C 0.7788(3) 0.0248(2) 0.6947(6) 0.041(2) Uani 1 1 d . . .
H23 H 0.7570 0.0041 0.7271 0.049 Uiso 1 1 calc R . .
C24 C 0.7806(2) 0.0226(2) 0.6006(5) 0.0344(19) Uani 1 1 d . . .
H24 H 0.7600 0.0008 0.5681 0.041 Uiso 1 1 calc R . .
C25 C 0.9018(3) 0.0624(3) 0.3728(7) 0.049(2) Uani 1 1 d . . .
C26 C 0.9164(3) 0.0723(3) 0.4612(8) 0.064(3) Uani 1 1 d . . .
H26 H 0.9033 0.0551 0.5112 0.077 Uiso 1 1 calc R . .
C27 C 0.9519(4) 0.1096(4) 0.4728(11) 0.091(5) Uani 1 1 d . . .
H27 H 0.9630 0.1176 0.5321 0.110 Uiso 1 1 calc R . .
C28 C 0.9702(3) 0.1337(4) 0.4017(14) 0.097(6) Uani 1 1 d . . .
H28 H 0.9938 0.1585 0.4113 0.116 Uiso 1 1 calc R . .
C29 C 0.9549(3) 0.1228(3) 0.3153(11) 0.082(4) Uani 1 1 d . . .
H29 H 0.9683 0.1402 0.2657 0.098 Uiso 1 1 calc R . .
C30 C 0.9204(3) 0.0868(3) 0.2991(9) 0.063(3) Uani 1 1 d . . .
H30 H 0.9098 0.0793 0.2392 0.075 Uiso 1 1 calc R . .
C31 C 0.7658(2) -0.0534(2) 0.3232(5) 0.0343(19) Uani 1 1 d . . .
C32 C 0.7411(3) -0.0742(2) 0.3953(6) 0.042(2) Uani 1 1 d . . .
H32 H 0.7511 -0.0692 0.4559 0.050 Uiso 1 1 calc R . .
C33 C 0.7017(3) -0.1023(3) 0.3788(7) 0.054(3) Uani 1 1 d . . .
H33 H 0.6850 -0.1175 0.4279 0.064 Uiso 1 1 calc R . .
C34 C 0.6864(3) -0.1084(2) 0.2916(7) 0.052(2) Uani 1 1 d . . .
H34 H 0.6590 -0.1269 0.2810 0.062 Uiso 1 1 calc R . .
C35 C 0.7111(3) -0.0875(2) 0.2200(6) 0.045(2) Uani 1 1 d . . .
H35 H 0.7006 -0.0919 0.1598 0.053 Uiso 1 1 calc R . .
C36 C 0.7504(3) -0.0604(2) 0.2344(6) 0.041(2) Uani 1 1 d . . .
H36 H 0.7672 -0.0463 0.1844 0.049 Uiso 1 1 calc R . .
C37 C 0.8638(4) -0.0253(4) 0.2116(9) 0.110(5) Uani 1 1 d G . .
C38 C 0.9028(5) -0.0121(5) 0.2395(12) 0.287(19) Uani 1 1 d G . .
H38 H 0.9197 0.0150 0.2557 0.345 Uiso 1 1 calc R . .
C39 C 0.9170(5) -0.0387(7) 0.2437(14) 0.50(4) Uani 1 1 d G . .
H39 H 0.9436 -0.0297 0.2628 0.597 Uiso 1 1 calc R . .
C40 C 0.8923(6) -0.0784(5) 0.2200(15) 0.36(3) Uani 1 1 d G . .
H40 H 0.9020 -0.0966 0.2229 0.435 Uiso 1 1 calc R . .
C41 C 0.8534(5) -0.0916(3) 0.1921(17) 0.46(4) Uani 1 1 d G . .
H41 H 0.8365 -0.1188 0.1759 0.557 Uiso 1 1 calc R . .
C42 C 0.8391(4) -0.0651(4) 0.1879(14) 0.273(19) Uani 1 1 d G . .
H42 H 0.8125 -0.0741 0.1688 0.327 Uiso 1 1 calc R . .
F1 F 0.7577(2) 0.9433(2) 1.0091(4) 0.084(2) Uani 1 1 d . . .
F2 F 0.7837(2) 0.99277(18) 0.9044(4) 0.0805(19) Uani 1 1 d . . .
F3 F 0.7357(3) 0.9311(2) 0.8660(5) 0.127(3) Uani 1 1 d . . .
F4 F 0.7968(3) 0.9427(2) 0.8941(7) 0.128(3) Uani 1 1 d . . .
O1 O 0.8009(8) 0.1271(6) 0.1993(12) 0.313(14) Uani 1 1 d . . .
H1 H 0.7761 0.1149 0.2062 0.470 Uiso 1 1 calc R . .
O2 O 0.8735(6) 0.0710(8) 0.0641(11) 0.44(2) Uani 1 1 d D . .
H2A H 0.8940 0.0932 0.0737 0.655 Uiso 1 1 calc R . .
O3 O 0.80471(14) 0.10471(14) 0.4082(3) 0.0306(12) Uani 1 1 d . . .
O4 O 0.75189(14) 0.03718(15) 0.4155(3) 0.0306(12) Uani 1 1 d . . .
O5 O 0.81763(15) 0.05000(15) 0.4617(3) 0.0309(13) Uani 1 1 d . . .
O6 O 0.86754(16) 0.02566(16) 0.3646(4) 0.0424(14) Uani 1 1 d . . .
O7 O 0.80470(17) -0.02662(16) 0.3457(4) 0.0417(14) Uani 1 1 d . . .
O8 O 0.8480(2) -0.00116(18) 0.2054(4) 0.0549(18) Uani 1 1 d . . .
P1 P 0.79720(6) 0.06109(6) 0.38185(13) 0.0287(5) Uani 1 1 d . . .
P2 P 0.83329(7) 0.01328(7) 0.29101(15) 0.0380(5) Uani 1 1 d . . .
Rh1 Rh 0.811977(19) 0.052601(19) 0.24398(4) 0.0323(2) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
B1 0.140(15) 0.036(7) 0.081(11) -0.016(7) 0.009(10) 0.039(9)
C1 0.40(4) 0.082(12) 0.033(7) -0.020(8) -0.015(15) 0.17(2)
C2 0.054(8) 0.075(10) 0.063(9) 0.024(7) -0.017(6) -0.016(7)
C3 0.159(16) 0.211(19) 0.067(10) 0.071(12) 0.079(11) 0.167(16)
C4 0.41(4) 0.083(13) 0.029(8) -0.032(9) -0.062(17) 0.115(19)
C5 0.057(10) 0.17(2) 0.129(19) 0.123(16) -0.060(11) -0.068(11)
C6 0.24(3) 0.34(4) 0.084(14) 0.13(2) 0.096(17) 0.27(3)
C7 0.035(5) 0.033(5) 0.023(4) 0.001(3) 0.001(3) 0.014(4)
C8 0.041(5) 0.039(5) 0.031(4) -0.002(4) 0.003(4) 0.020(4)
C9 0.055(6) 0.025(5) 0.031(4) -0.005(4) -0.003(4) 0.007(4)
C10 0.040(5) 0.038(5) 0.031(5) -0.001(4) -0.004(4) 0.003(4)
C11 0.034(5) 0.034(5) 0.038(5) 0.001(4) -0.003(4) 0.008(4)
C12 0.044(5) 0.036(5) 0.040(5) -0.001(4) -0.004(4) 0.024(4)
C13 0.027(4) 0.044(5) 0.020(4) 0.002(3) 0.002(3) 0.017(4)
C14 0.052(6) 0.062(6) 0.043(5) -0.023(5) -0.008(4) 0.038(5)
C15 0.056(6) 0.080(8) 0.054(6) -0.023(6) -0.020(5) 0.045(6)
C16 0.028(5) 0.098(9) 0.055(6) -0.014(6) -0.006(4) 0.030(6)
C17 0.043(6) 0.060(7) 0.052(6) -0.017(5) -0.003(5) 0.013(5)
C18 0.048(6) 0.038(5) 0.042(5) -0.007(4) -0.003(4) 0.014(4)
C19 0.032(4) 0.041(5) 0.019(4) 0.006(3) 0.005(3) 0.022(4)
C20 0.041(5) 0.026(4) 0.042(5) 0.003(4) 0.000(4) 0.008(4)
C21 0.045(6) 0.050(6) 0.048(6) -0.011(5) -0.016(5) 0.019(5)
C22 0.055(6) 0.053(6) 0.036(5) -0.003(4) 0.003(4) 0.027(5)
C23 0.041(5) 0.030(5) 0.041(5) 0.001(4) 0.014(4) 0.011(4)
C24 0.027(4) 0.023(4) 0.040(5) -0.007(4) 0.002(4) 0.003(4)
C25 0.032(5) 0.045(6) 0.073(7) -0.011(5) 0.001(5) 0.021(5)
C26 0.060(7) 0.064(7) 0.079(8) -0.021(6) -0.005(6) 0.039(6)
C27 0.074(9) 0.061(8) 0.150(14) -0.055(9) -0.039(9) 0.042(8)
C28 0.029(7) 0.040(7) 0.211(19) -0.020(10) -0.022(9) 0.009(6)
C29 0.030(6) 0.039(6) 0.167(14) 0.018(8) 0.010(7) 0.010(5)
C30 0.029(5) 0.052(6) 0.101(9) 0.004(6) 0.007(5) 0.015(5)
C31 0.040(5) 0.012(4) 0.039(5) -0.005(3) -0.001(4) 0.004(4)
C32 0.049(6) 0.026(4) 0.037(5) 0.003(4) -0.005(4) 0.008(4)
C33 0.050(6) 0.032(5) 0.056(6) 0.012(4) 0.000(5) 0.003(5)
C34 0.051(6) 0.023(5) 0.059(6) -0.005(4) -0.009(5) 0.002(4)
C35 0.058(6) 0.031(5) 0.040(5) -0.004(4) -0.009(4) 0.019(5)
C36 0.058(6) 0.022(4) 0.036(5) -0.006(4) -0.001(4) 0.015(4)
C37 0.148(14) 0.127(13) 0.120(12) 0.015(10) 0.051(11) 0.118(12)
C38 0.34(4) 0.42(4) 0.33(4) -0.19(3) -0.14(3) 0.35(4)
C39 0.92(11) 0.79(10) 0.33(4) 0.05(6) 0.11(6) 0.84(10)
C40 0.53(6) 0.35(4) 0.46(6) 0.17(4) 0.24(5) 0.41(5)
C41 0.29(4) 0.15(2) 1.05(12) 0.24(4) 0.41(6) 0.18(3)
C42 0.160(19) 0.064(11) 0.62(5) 0.05(2) 0.20(3) 0.073(13)
F1 0.102(5) 0.085(5) 0.067(4) 0.018(4) 0.007(4) 0.048(4)
F2 0.112(5) 0.058(4) 0.060(4) -0.001(3) 0.005(4) 0.033(4)
F3 0.134(7) 0.103(6) 0.096(6) -0.057(5) -0.034(5) 0.022(5)
F4 0.125(7) 0.069(5) 0.190(9) -0.020(5) 0.050(6) 0.048(5)
O1 0.45(4) 0.212(19) 0.154(16) -0.037(14) -0.019(18) 0.07(2)
O2 0.51(3) 0.95(6) 0.224(18) 0.37(3) 0.28(2) 0.64(4)
O3 0.029(3) 0.024(3) 0.033(3) -0.006(2) 0.004(2) 0.009(2)
O4 0.025(3) 0.036(3) 0.023(3) -0.004(2) -0.003(2) 0.010(2)
O5 0.037(3) 0.036(3) 0.018(2) -0.020(2) -0.009(2) 0.017(3)
O6 0.038(3) 0.036(3) 0.054(4) -0.003(3) 0.001(3) 0.019(3)
O7 0.042(3) 0.032(3) 0.039(3) 0.002(3) 0.000(3) 0.009(3)
O8 0.086(5) 0.052(4) 0.045(4) 0.002(3) 0.021(3) 0.048(4)
P1 0.0296(11) 0.0237(11) 0.0287(11) -0.0016(8) 0.0028(9) 0.0103(9)
P2 0.0411(13) 0.0341(12) 0.0372(12) -0.0042(10) 0.0062(10) 0.0176(11)
Rh1 0.0346(4) 0.0310(4) 0.0259(3) -0.0015(3) 0.0058(3) 0.0122(3)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
B1 F3 1.346(18) . ?
B1 F1 1.362(16) . ?
B1 F2 1.384(14) . ?
B1 F4 1.401(18) . ?
C1 O1 1.28(3) . ?
C1 C2 1.309(5) . ?
C1 C6 1.309(5) . ?
C1 Rh1 2.283(8) . ?
C2 C3 1.309(5) . ?
C2 Rh1 2.325(8) . ?
C3 C4 1.309(5) . ?
C3 O2 1.387(14) . ?
C3 Rh1 2.326(8) . ?
C4 C5 1.309(5) . ?
C4 Rh1 2.286(8) . ?
C5 C6 1.309(5) . ?
C5 Rh1 2.243(8) . ?
C6 Rh1 2.242(9) . ?
C7 C8 1.367(11) . ?
C7 C12 1.366(11) . ?
C7 O3 1.399(9) . ?
C8 C9 1.397(11) . ?
C9 C10 1.353(12) . ?
C10 C11 1.372(12) . ?
C11 C12 1.383(11) . ?
C13 C14 1.356(11) . ?
C13 C18 1.370(11) . ?
C13 O4 1.444(8) . ?
C14 C15 1.405(12) . ?
C15 C16 1.366(14) . ?
C16 C17 1.356(14) . ?
C17 C18 1.379(13) . ?
C19 C24 1.382(10) . ?
C19 C20 1.390(11) . ?
C19 O5 1.394(8) . ?
C20 C21 1.368(12) . ?
C21 C22 1.392(12) . ?
C22 C23 1.379(12) . ?
C23 C24 1.385(11) . ?
C25 C30 1.377(14) . ?
C25 O6 1.383(10) . ?
C25 C26 1.389(14) . ?
C26 C27 1.422(16) . ?
C27 C28 1.340(19) . ?
C28 C29 1.372(19) . ?
C29 C30 1.386(14) . ?
C31 O7 1.377(9) . ?
C31 C32 1.382(11) . ?
C31 C36 1.401(11) . ?
C32 C33 1.381(12) . ?
C33 C34 1.378(13) . ?
C34 C35 1.377(12) . ?
C35 C36 1.366(12) . ?
C37 O8 1.352(9) . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
O3 P1 1.611(5) . ?
O4 P1 1.598(5) . ?
O5 P1 1.587(5) . ?
O6 P2 1.587(6) . ?
O7 P2 1.595(6) . ?
O8 P2 1.592(6) . ?
P1 Rh1 2.170(2) . ?
P2 Rh1 2.175(2) . ?

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
F3 B1 F1 110.4(13) . . ?
F3 B1 F2 110.5(13) . . ?
F1 B1 F2 110.7(10) . . ?
F3 B1 F4 107.3(11) . . ?
F1 B1 F4 110.8(14) . . ?
F2 B1 F4 107.0(13) . . ?
O1 C1 C2 140.2(17) . . ?
O1 C1 C6 99.6(17) . . ?
C2 C1 C6 120.0 . . ?
O1 C1 Rh1 124.9(11) . . ?
C2 C1 Rh1 75.3(3) . . ?
C6 C1 Rh1 71.5(3) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 Rh1 71.7(3) . . ?
C3 C2 Rh1 73.7(3) . . ?
C4 C3 C2 120.0 . . ?
C4 C3 O2 118.6(8) . . ?
C2 C3 O2 121.3(8) . . ?
C4 C3 Rh1 71.8(3) . . ?
C2 C3 Rh1 73.6(3) . . ?
O2 C3 Rh1 129.6(8) . . ?
C3 C4 C5 120.0 . . ?
C3 C4 Rh1 75.2(3) . . ?
C5 C4 Rh1 71.4(3) . . ?
C6 C5 C4 120.0 . . ?
C6 C5 Rh1 73.0(3) . . ?
C4 C5 Rh1 75.0(3) . . ?
C5 C6 C1 120.0 . . ?
C5 C6 Rh1 73.1(3) . . ?
C1 C6 Rh1 74.9(3) . . ?
C8 C7 C12 121.7(8) . . ?
C8 C7 O3 115.6(7) . . ?
C12 C7 O3 122.7(7) . . ?
C7 C8 C9 119.0(8) . . ?
C10 C9 C8 119.7(8) . . ?
C9 C10 C11 120.5(8) . . ?
C10 C11 C12 120.7(8) . . ?
C7 C12 C11 118.3(8) . . ?
C14 C13 C18 122.4(8) . . ?
C14 C13 O4 119.6(7) . . ?
C18 C13 O4 118.0(7) . . ?
C13 C14 C15 117.7(9) . . ?
C16 C15 C14 119.9(10) . . ?
C17 C16 C15 121.0(9) . . ?
C16 C17 C18 119.9(10) . . ?
C13 C18 C17 119.0(9) . . ?
C24 C19 C20 121.3(7) . . ?
C24 C19 O5 120.7(7) . . ?
C20 C19 O5 117.8(7) . . ?
C21 C20 C19 119.3(8) . . ?
C20 C21 C22 120.1(8) . . ?
C23 C22 C21 120.0(8) . . ?
C22 C23 C24 120.5(8) . . ?
C19 C24 C23 118.7(7) . . ?
C30 C25 O6 122.8(9) . . ?
C30 C25 C26 122.8(10) . . ?
O6 C25 C26 114.4(9) . . ?
C25 C26 C27 116.4(12) . . ?
C28 C27 C26 121.3(13) . . ?
C27 C28 C29 120.5(12) . . ?
C28 C29 C30 121.2(13) . . ?
C25 C30 C29 117.7(12) . . ?
O7 C31 C32 115.7(7) . . ?
O7 C31 C36 124.6(7) . . ?
C32 C31 C36 119.7(8) . . ?
C31 C32 C33 119.6(8) . . ?
C34 C33 C32 120.5(9) . . ?
C33 C34 C35 119.7(9) . . ?
C36 C35 C34 120.8(8) . . ?
C35 C36 C31 119.6(8) . . ?
O8 C37 C38 123.3(10) . . ?
O8 C37 C42 116.7(10) . . ?
C38 C37 C42 120.0 . . ?
C39 C38 C37 120.0 . . ?
C38 C39 C40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C41 C42 C37 120.0 . . ?
C7 O3 P1 126.5(5) . . ?
C13 O4 P1 121.4(4) . . ?
C19 O5 P1 127.0(5) . . ?
C25 O6 P2 126.7(6) . . ?
C31 O7 P2 125.3(5) . . ?
C37 O8 P2 123.7(7) . . ?
O5 P1 O4 99.6(3) . . ?
O5 P1 O3 104.7(3) . . ?
O4 P1 O3 95.9(3) . . ?
O5 P1 Rh1 116.2(2) . . ?
O4 P1 Rh1 119.7(2) . . ?
O3 P1 Rh1 117.3(2) . . ?
O6 P2 O8 104.5(3) . . ?
O6 P2 O7 91.2(3) . . ?
O8 P2 O7 104.7(3) . . ?
O6 P2 Rh1 123.8(2) . . ?
O8 P2 Rh1 108.9(3) . . ?
O7 P2 Rh1 121.0(2) . . ?
P1 Rh1 P2 91.82(8) . . ?
P1 Rh1 C6 103.2(3) . . ?
P2 Rh1 C6 156.1(4) . . ?
P1 Rh1 C5 126.6(4) . . ?
P2 Rh1 C5 122.5(4) . . ?
C6 Rh1 C5 33.93(13) . . ?
P1 Rh1 C1 102.7(2) . . ?
P2 Rh1 C1 158.6(4) . . ?
C6 Rh1 C1 33.61(14) . . ?
C5 Rh1 C1 60.1(2) . . ?
P1 Rh1 C4 160.1(4) . . ?
P2 Rh1 C4 100.9(3) . . ?
C6 Rh1 C4 60.1(2) . . ?
C5 Rh1 C4 33.57(13) . . ?
C1 Rh1 C4 69.9(2) . . ?
P1 Rh1 C2 124.5(4) . . ?
P2 Rh1 C2 125.6(3) . . ?
C6 Rh1 C2 59.5(2) . . ?
C5 Rh1 C2 69.9(2) . . ?
C1 Rh1 C2 32.99(14) . . ?
C4 Rh1 C2 58.9(2) . . ?
P1 Rh1 C3 156.8(4) . . ?
P2 Rh1 C3 102.6(2) . . ?
C6 Rh1 C3 69.9(2) . . ?
C5 Rh1 C3 59.4(2) . . ?
C1 Rh1 C3 58.9(2) . . ?
C4 Rh1 C3 32.95(14) . . ?
C2 Rh1 C3 32.68(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -174.6(19) . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
Rh1 C1 C2 C3 57.9(3) . . . . ?
O1 C1 C2 Rh1 127.5(18) . . . . ?
C6 C1 C2 Rh1 -57.9(3) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
Rh1 C2 C3 C4 57.0(3) . . . . ?
C1 C2 C3 O2 176.3(10) . . . . ?
Rh1 C2 C3 O2 -126.7(9) . . . . ?
C1 C2 C3 Rh1 -57.0(3) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
O2 C3 C4 C5 -176.4(10) . . . . ?
Rh1 C3 C4 C5 57.8(3) . . . . ?
C2 C3 C4 Rh1 -57.8(3) . . . . ?
O2 C3 C4 Rh1 125.8(9) . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
Rh1 C4 C5 C6 59.7(3) . . . . ?
C3 C4 C5 Rh1 -59.7(3) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
Rh1 C5 C6 C1 60.7(3) . . . . ?
C4 C5 C6 Rh1 -60.7(3) . . . . ?
O1 C1 C6 C5 176.5(12) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
Rh1 C1 C6 C5 -59.8(3) . . . . ?
O1 C1 C6 Rh1 -123.7(11) . . . . ?
C2 C1 C6 Rh1 59.8(3) . . . . ?
C12 C7 C8 C9 -1.5(12) . . . . ?
O3 C7 C8 C9 178.4(6) . . . . ?
C7 C8 C9 C10 2.7(12) . . . . ?
C8 C9 C10 C11 -1.9(12) . . . . ?
C9 C10 C11 C12 -0.2(12) . . . . ?
C8 C7 C12 C11 -0.5(12) . . . . ?
O3 C7 C12 C11 179.6(7) . . . . ?
C10 C11 C12 C7 1.4(12) . . . . ?
C18 C13 C14 C15 -1.7(13) . . . . ?
O4 C13 C14 C15 179.9(7) . . . . ?
C13 C14 C15 C16 -1.0(14) . . . . ?
C14 C15 C16 C17 2.5(15) . . . . ?
C15 C16 C17 C18 -1.2(15) . . . . ?
C14 C13 C18 C17 3.0(13) . . . . ?
O4 C13 C18 C17 -178.6(7) . . . . ?
C16 C17 C18 C13 -1.5(14) . . . . ?
C24 C19 C20 C21 -0.2(13) . . . . ?
O5 C19 C20 C21 -174.3(7) . . . . ?
C19 C20 C21 C22 -1.1(14) . . . . ?
C20 C21 C22 C23 2.4(14) . . . . ?
C21 C22 C23 C24 -2.3(14) . . . . ?
C20 C19 C24 C23 0.4(12) . . . . ?
O5 C19 C24 C23 174.3(7) . . . . ?
C22 C23 C24 C19 0.9(13) . . . . ?
C30 C25 C26 C27 0.1(14) . . . . ?
O6 C25 C26 C27 179.1(8) . . . . ?
C25 C26 C27 C28 0.1(16) . . . . ?
C26 C27 C28 C29 -0.3(19) . . . . ?
C27 C28 C29 C30 0.2(19) . . . . ?
O6 C25 C30 C29 -179.1(8) . . . . ?
C26 C25 C30 C29 -0.2(15) . . . . ?
C28 C29 C30 C25 0.0(16) . . . . ?
O7 C31 C32 C33 -178.8(8) . . . . ?
C36 C31 C32 C33 1.5(13) . . . . ?
C31 C32 C33 C34 -3.0(14) . . . . ?
C32 C33 C34 C35 2.6(15) . . . . ?
C33 C34 C35 C36 -0.7(14) . . . . ?
C34 C35 C36 C31 -0.8(13) . . . . ?
O7 C31 C36 C35 -179.3(8) . . . . ?
C32 C31 C36 C35 0.3(12) . . . . ?
O8 C37 C38 C39 -179.6(12) . . . . ?
C42 C37 C38 C39 0.0 . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C37 0.0 . . . . ?
O8 C37 C42 C41 179.7(11) . . . . ?
C38 C37 C42 C41 0.0 . . . . ?
C8 C7 O3 P1 158.5(6) . . . . ?
C12 C7 O3 P1 -21.6(10) . . . . ?
C14 C13 O4 P1 -83.0(8) . . . . ?
C18 C13 O4 P1 98.5(7) . . . . ?
C24 C19 O5 P1 82.9(9) . . . . ?
C20 C19 O5 P1 -103.0(8) . . . . ?
C30 C25 O6 P2 -30.7(12) . . . . ?
C26 C25 O6 P2 150.2(7) . . . . ?
C32 C31 O7 P2 -150.5(6) . . . . ?
C36 C31 O7 P2 29.1(11) . . . . ?
C38 C37 O8 P2 -77.4(12) . . . . ?
C42 C37 O8 P2 103.0(11) . . . . ?
C19 O5 P1 O4 -49.7(6) . . . . ?
C19 O5 P1 O3 49.1(6) . . . . ?
C19 O5 P1 Rh1 -179.8(5) . . . . ?
C13 O4 P1 O5 -159.7(5) . . . . ?
C13 O4 P1 O3 94.2(6) . . . . ?
C13 O4 P1 Rh1 -32.0(6) . . . . ?
C7 O3 P1 O5 81.7(6) . . . . ?
C7 O3 P1 O4 -176.7(6) . . . . ?
C7 O3 P1 Rh1 -48.7(6) . . . . ?
C25 O6 P2 O8 86.4(7) . . . . ?
C25 O6 P2 O7 -168.1(7) . . . . ?
C25 O6 P2 Rh1 -38.8(7) . . . . ?
C37 O8 P2 O6 44.5(10) . . . . ?
C37 O8 P2 O7 -50.7(10) . . . . ?
C37 O8 P2 Rh1 178.6(9) . . . . ?
C31 O7 P2 O6 175.6(6) . . . . ?
C31 O7 P2 O8 -79.0(7) . . . . ?
C31 O7 P2 Rh1 44.2(7) . . . . ?
O5 P1 Rh1 P2 18.3(2) . . . . ?
O4 P1 Rh1 P2 -101.4(3) . . . . ?
O3 P1 Rh1 P2 143.2(2) . . . . ?
O5 P1 Rh1 C6 179.6(5) . . . . ?
O4 P1 Rh1 C6 59.9(5) . . . . ?
O3 P1 Rh1 C6 -55.5(5) . . . . ?
O5 P1 Rh1 C5 152.0(4) . . . . ?
O4 P1 Rh1 C5 32.4(5) . . . . ?
O3 P1 Rh1 C5 -83.1(4) . . . . ?
O5 P1 Rh1 C1 -145.9(5) . . . . ?
O4 P1 Rh1 C1 94.4(5) . . . . ?
O3 P1 Rh1 C1 -21.0(5) . . . . ?
O5 P1 Rh1 C4 148.3(7) . . . . ?
O4 P1 Rh1 C4 28.7(7) . . . . ?
O3 P1 Rh1 C4 -86.8(7) . . . . ?
O5 P1 Rh1 C2 -118.5(4) . . . . ?
O4 P1 Rh1 C2 121.8(4) . . . . ?
O3 P1 Rh1 C2 6.4(4) . . . . ?
O5 P1 Rh1 C3 -110.8(6) . . . . ?
O4 P1 Rh1 C3 129.5(6) . . . . ?
O3 P1 Rh1 C3 14.1(7) . . . . ?
O6 P2 Rh1 P1 -56.9(3) . . . . ?
O8 P2 Rh1 P1 179.9(3) . . . . ?
O7 P2 Rh1 P1 58.7(3) . . . . ?
O6 P2 Rh1 C6 173.5(6) . . . . ?
O8 P2 Rh1 C6 50.3(7) . . . . ?
O7 P2 Rh1 C6 -70.9(7) . . . . ?
O6 P2 Rh1 C5 166.5(4) . . . . ?
O8 P2 Rh1 C5 43.3(4) . . . . ?
O7 P2 Rh1 C5 -77.9(4) . . . . ?
O6 P2 Rh1 C1 76.3(7) . . . . ?
O8 P2 Rh1 C1 -46.9(7) . . . . ?
O7 P2 Rh1 C1 -168.1(7) . . . . ?
O6 P2 Rh1 C4 138.5(5) . . . . ?
O8 P2 Rh1 C4 15.3(5) . . . . ?
O7 P2 Rh1 C4 -105.9(4) . . . . ?
O6 P2 Rh1 C2 79.1(4) . . . . ?
O8 P2 Rh1 C2 -44.1(4) . . . . ?
O7 P2 Rh1 C2 -165.3(4) . . . . ?
O6 P2 Rh1 C3 104.8(5) . . . . ?
O8 P2 Rh1 C3 -18.4(5) . . . . ?
O7 P2 Rh1 C3 -139.6(5) . . . . ?
C5 C6 Rh1 P1 -138.3(5) . . . . ?
C1 C6 Rh1 P1 93.2(5) . . . . ?
C5 C6 Rh1 P2 -10.6(9) . . . . ?
C1 C6 Rh1 P2 -139.1(10) . . . . ?
C1 C6 Rh1 C5 -128.54(15) . . . . ?
C5 C6 Rh1 C1 128.54(15) . . . . ?
C5 C6 Rh1 C4 29.92(10) . . . . ?
C1 C6 Rh1 C4 -98.61(19) . . . . ?
C5 C6 Rh1 C2 99.26(19) . . . . ?
C1 C6 Rh1 C2 -29.28(10) . . . . ?
C5 C6 Rh1 C3 64.80(18) . . . . ?
C1 C6 Rh1 C3 -63.73(18) . . . . ?
C6 C5 Rh1 P1 53.7(4) . . . . ?
C4 C5 Rh1 P1 -177.7(4) . . . . ?
C6 C5 Rh1 P2 174.9(5) . . . . ?
C4 C5 Rh1 P2 -56.5(5) . . . . ?
C4 C5 Rh1 C6 128.57(15) . . . . ?
C6 C5 Rh1 C1 -29.97(10) . . . . ?
C4 C5 Rh1 C1 98.6(2) . . . . ?
C6 C5 Rh1 C4 -128.57(15) . . . . ?
C6 C5 Rh1 C2 -64.90(19) . . . . ?
C4 C5 Rh1 C2 63.67(19) . . . . ?
C6 C5 Rh1 C3 -99.34(19) . . . . ?
C4 C5 Rh1 C3 29.23(10) . . . . ?
O1 C1 Rh1 P1 -5.9(18) . . . . ?
C2 C1 Rh1 P1 135.9(5) . . . . ?
C6 C1 Rh1 P1 -94.8(5) . . . . ?
O1 C1 Rh1 P2 -137.6(15) . . . . ?
C2 C1 Rh1 P2 4.2(11) . . . . ?
C6 C1 Rh1 P2 133.5(11) . . . . ?
O1 C1 Rh1 C6 89(2) . . . . ?
C2 C1 Rh1 C6 -129.30(15) . . . . ?
O1 C1 Rh1 C5 119(2) . . . . ?
C2 C1 Rh1 C5 -99.1(2) . . . . ?
C6 C1 Rh1 C5 30.24(11) . . . . ?
O1 C1 Rh1 C4 155(2) . . . . ?
C2 C1 Rh1 C4 -63.45(19) . . . . ?
C6 C1 Rh1 C4 65.84(18) . . . . ?
O1 C1 Rh1 C2 -142(2) . . . . ?
C6 C1 Rh1 C2 129.30(15) . . . . ?
O1 C1 Rh1 C3 -171(2) . . . . ?
C2 C1 Rh1 C3 -28.82(10) . . . . ?
C6 C1 Rh1 C3 100.48(19) . . . . ?
C3 C4 Rh1 P1 134.7(9) . . . . ?
C5 C4 Rh1 P1 5.4(9) . . . . ?
C3 C4 Rh1 P2 -96.4(5) . . . . ?
C5 C4 Rh1 P2 134.2(5) . . . . ?
C3 C4 Rh1 C6 99.1(2) . . . . ?
C5 C4 Rh1 C6 -30.23(11) . . . . ?
C3 C4 Rh1 C5 129.36(15) . . . . ?
C3 C4 Rh1 C1 63.48(19) . . . . ?
C5 C4 Rh1 C1 -65.88(19) . . . . ?
C3 C4 Rh1 C2 28.81(10) . . . . ?
C5 C4 Rh1 C2 -100.56(19) . . . . ?
C5 C4 Rh1 C3 -129.36(15) . . . . ?
C1 C2 Rh1 P1 -55.5(5) . . . . ?
C3 C2 Rh1 P1 174.4(5) . . . . ?
C1 C2 Rh1 P2 -178.1(5) . . . . ?
C3 C2 Rh1 P2 51.7(5) . . . . ?
C1 C2 Rh1 C6 29.82(11) . . . . ?
C3 C2 Rh1 C6 -100.3(2) . . . . ?
C1 C2 Rh1 C5 65.7(2) . . . . ?
C3 C2 Rh1 C5 -64.4(2) . . . . ?
C3 C2 Rh1 C1 -130.14(15) . . . . ?
C1 C2 Rh1 C4 101.11(19) . . . . ?
C3 C2 Rh1 C4 -29.03(11) . . . . ?
C1 C2 Rh1 C3 130.14(15) . . . . ?
C4 C3 Rh1 P1 -142.0(10) . . . . ?
C2 C3 Rh1 P1 -11.8(10) . . . . ?
O2 C3 Rh1 P1 105.5(12) . . . . ?
C4 C3 Rh1 P2 90.7(5) . . . . ?
C2 C3 Rh1 P2 -139.2(5) . . . . ?
O2 C3 Rh1 P2 -21.8(10) . . . . ?
C4 C3 Rh1 C6 -65.68(19) . . . . ?
C2 C3 Rh1 C6 64.5(2) . . . . ?
O2 C3 Rh1 C6 -178.1(11) . . . . ?
C4 C3 Rh1 C5 -29.77(11) . . . . ?
C2 C3 Rh1 C5 100.4(2) . . . . ?
O2 C3 Rh1 C5 -142.2(11) . . . . ?
C4 C3 Rh1 C1 -101.11(19) . . . . ?
C2 C3 Rh1 C1 29.08(11) . . . . ?
O2 C3 Rh1 C1 146.4(11) . . . . ?
C2 C3 Rh1 C4 130.19(15) . . . . ?
O2 C3 Rh1 C4 -112.5(11) . . . . ?
C4 C3 Rh1 C2 -130.19(15) . . . . ?
O2 C3 Rh1 C2 117.4(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 F3 0.84 2.16 2.77(3) 129.0 5_654
O2 H2A F4 0.84 2.02 2.86(3) 176.2 11_556

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.924
_refine_diff_density_min         -1.695
_refine_diff_density_rms         0.118