#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:11:53 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180064 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/10/7051012.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_7051012
loop_
_publ_author_name
'Deblon, Stephan'
'Rüegger, Heinz'
'Schönberg, Hartmut'
'Loss, Sandra'
'Gramlich, Volker'
'Grützmacher, Hansjörg'
_publ_contact_author             'Sandra Loss'
_publ_section_title
;
 Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes:
 synthesis, reactivity, and structures in solution and solid state
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              83
_journal_paper_doi               10.1039/b002906h
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C58 H49 F6 N P3 Rh'
_chemical_formula_weight         1069.80
_chemical_name_common            Bis-(Methyltropp)rhodium-hexafluorophosphate
_chemical_name_systematic        ?
_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                91.629(13)
_cell_angle_beta                 91.462(13)
_cell_angle_gamma                101.890(12)
_cell_formula_units_Z            4
_cell_length_a                   10.844(2)
_cell_length_b                   20.697(4)
_cell_length_c                   22.722(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4985.7(17)
_computing_cell_refinement       IPDS0-Package
_computing_data_collection       IPDS0-Package
_computing_data_reduction        IPDS0-Package
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Stoe Image Plate System'
_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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0970
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28990
_diffrn_reflns_theta_max         23.99
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_type   'not applied'
_exptl_crystal_colour            red-violet
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_description       prism
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.751
_refine_ls_goodness_of_fit_obs   0.964
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1265
_refine_ls_number_reflns         14653
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.750
_refine_ls_restrained_S_obs      0.964
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_obs          0.0361
_refine_ls_shift/esd_max         1.566
_refine_ls_shift/esd_mean        0.029
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0769
_refine_ls_wR_factor_obs         0.0721
_reflns_number_observed          8381
_reflns_number_total             14653
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002906h.txt
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+0.0000P] 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^)+(0.0400P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7051012
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 0.74582(3) 0.765950(15) 0.358818(13) 0.04118(10) Uani 1 d . .
P1 P 0.85436(11) 0.82319(5) 0.43453(4) 0.0391(3) Uani 1 d . .
C1 C 0.9078(4) 0.9121(2) 0.4156(2) 0.0437(10) Uani 1 d . .
H1A H 0.9524(4) 0.9355(2) 0.4505(2) 0.052 Uiso 1 calc R .
C2 C 1.0007(4) 0.9176(2) 0.3672(2) 0.0470(11) Uani 1 d . .
C3 C 0.9689(4) 0.8827(2) 0.3126(2) 0.0478(11) Uani 1 d . .
C4 C 0.8381(5) 0.8486(2) 0.2944(2) 0.0506(12) Uani 1 d . .
C5 C 0.7292(5) 0.8643(2) 0.3143(2) 0.0504(12) Uani 1 d . .
H5A H 0.6629(5) 0.8564(2) 0.2833(2) 0.061 Uiso 1 calc R .
C6 C 0.7130(4) 0.9180(2) 0.3552(2) 0.0480(11) Uani 1 d . .
C7 C 0.7976(4) 0.9428(2) 0.4025(2) 0.0476(11) Uani 1 d . .
C8 C 1.1209(5) 0.9541(2) 0.3776(2) 0.0642(14) Uani 1 d . .
H8A H 1.1394(5) 0.9790(2) 0.4126(2) 0.077 Uiso 1 calc R .
C9 C 1.2133(5) 0.9547(3) 0.3381(3) 0.084(2) Uani 1 d . .
H9A H 1.2936(5) 0.9803(3) 0.3458(3) 0.101 Uiso 1 calc R .
C10 C 1.1872(6) 0.9175(3) 0.2870(3) 0.082(2) Uani 1 d . .
H10A H 1.2511(6) 0.9157(3) 0.2609(3) 0.099 Uiso 1 calc R .
C11 C 1.0677(6) 0.8830(2) 0.2741(2) 0.0668(14) Uani 1 d . .
H11C H 1.0514(6) 0.8590(2) 0.2385(2) 0.080 Uiso 1 calc R .
C12 C 0.6097(5) 0.9473(2) 0.3455(2) 0.0680(14) Uani 1 d . .
H12D H 0.5511(5) 0.9306(2) 0.3154(2) 0.082 Uiso 1 calc R .
C13 C 0.5932(6) 1.0003(3) 0.3795(3) 0.086(2) Uani 1 d . .
H13C H 0.5254(6) 1.0201(3) 0.3714(3) 0.104 Uiso 1 calc R .
C14 C 0.6764(7) 1.0248(3) 0.4258(3) 0.088(2) Uani 1 d . .
H14C H 0.6641(7) 1.0603(3) 0.4493(3) 0.106 Uiso 1 calc R .
C15 C 0.7774(5) 0.9959(2) 0.4367(2) 0.0650(14) Uani 1 d . .
H15B H 0.8337(5) 1.0123(2) 0.4678(2) 0.078 Uiso 1 calc R .
C16 C 0.8248(5) 0.8105(2) 0.2352(2) 0.072(2) Uani 1 d . .
H16J H 0.9051(5) 0.8017(2) 0.2248(2) 0.107 Uiso 1 calc R .
H16K H 0.7958(5) 0.8365(2) 0.2055(2) 0.107 Uiso 1 calc R .
H16L H 0.7651(5) 0.7696(2) 0.2381(2) 0.107 Uiso 1 calc R .
C17 C 0.9946(4) 0.8042(2) 0.4697(2) 0.0449(11) Uani 1 d . .
C18 C 1.1073(5) 0.8115(2) 0.4405(2) 0.0664(14) Uani 1 d . .
H18D H 1.1110(5) 0.8247(2) 0.4017(2) 0.080 Uiso 1 calc R .
C19 C 1.2152(6) 0.7990(3) 0.4692(3) 0.088(2) Uani 1 d . .
H19C H 1.2916(6) 0.8067(3) 0.4502(3) 0.106 Uiso 1 calc R .
C20 C 1.2090(6) 0.7757(3) 0.5250(3) 0.089(2) Uani 1 d . .
H20D H 1.2808(6) 0.7671(3) 0.5439(3) 0.106 Uiso 1 calc R .
C21 C 1.0989(6) 0.7651(3) 0.5524(2) 0.077(2) Uani 1 d . .
H21C H 1.0944(6) 0.7476(3) 0.5897(2) 0.093 Uiso 1 calc R .
C22 C 0.9926(5) 0.7799(2) 0.5264(2) 0.0576(13) Uani 1 d . .
H22C H 0.9182(5) 0.7735(2) 0.5469(2) 0.069 Uiso 1 calc R .
C23 C 0.7547(4) 0.8299(2) 0.4967(2) 0.0412(10) Uani 1 d . .
C24 C 0.7967(5) 0.8716(2) 0.5454(2) 0.0561(12) Uani 1 d . .
H24A H 0.8774(5) 0.8979(2) 0.5464(2) 0.067 Uiso 1 calc R .
C25 C 0.7192(6) 0.8740(2) 0.5922(2) 0.0684(15) Uani 1 d . .
H25A H 0.7472(6) 0.9025(2) 0.6243(2) 0.082 Uiso 1 calc R .
C26 C 0.6026(6) 0.8351(3) 0.5916(2) 0.084(2) Uani 1 d . .
H26B H 0.5508(6) 0.8370(3) 0.6234(2) 0.100 Uiso 1 calc R .
C27 C 0.5602(5) 0.7928(3) 0.5446(2) 0.087(2) Uani 1 d . .
H27C H 0.4812(5) 0.7649(3) 0.5449(2) 0.104 Uiso 1 calc R .
C28 C 0.6354(5) 0.7918(2) 0.4967(2) 0.0634(13) Uani 1 d . .
H28B H 0.6046(5) 0.7649(2) 0.4639(2) 0.076 Uiso 1 calc R .
P1A P 0.79269(12) 0.66893(5) 0.38472(4) 0.0436(3) Uani 1 d . .
C1A C 0.6710(4) 0.5992(2) 0.3530(2) 0.0479(11) Uani 1 d . .
H1AA H 0.6976(4) 0.5584(2) 0.3634(2) 0.057 Uiso 1 calc R .
C2A C 0.5470(5) 0.5981(2) 0.3817(2) 0.0497(12) Uani 1 d . .
C3A C 0.4868(4) 0.6518(2) 0.3793(2) 0.0472(11) Uani 1 d . .
C4A C 0.5255(4) 0.7095(2) 0.3414(2) 0.0479(11) Uani 1 d . .
C5A C 0.5880(5) 0.7075(2) 0.2894(2) 0.0509(12) Uani 1 d . .
H5AA H 0.5630(5) 0.7379(2) 0.2613(2) 0.061 Uiso 1 calc R .
C6A C 0.6280(4) 0.6536(2) 0.2589(2) 0.0490(11) Uani 1 d . .
C7A C 0.6640(4) 0.6000(2) 0.2868(2) 0.0492(11) Uani 1 d . .
C8A C 0.4971(5) 0.5441(2) 0.4154(2) 0.0602(13) Uani 1 d . .
H8AA H 0.5353(5) 0.5078(2) 0.4156(2) 0.072 Uiso 1 calc R .
C9A C 0.3931(6) 0.5438(3) 0.4481(2) 0.077(2) Uani 1 d . .
H9AA H 0.3621(6) 0.5077(3) 0.4709(2) 0.092 Uiso 1 calc R .
C10A C 0.3345(5) 0.5962(3) 0.4476(2) 0.075(2) Uani 1 d . .
H10C H 0.2644(5) 0.5962(3) 0.4703(2) 0.090 Uiso 1 calc R .
C11A C 0.3798(5) 0.6488(2) 0.4134(2) 0.0654(14) Uani 1 d . .
H11B H 0.3381(5) 0.6838(2) 0.4128(2) 0.078 Uiso 1 calc R .
C12A C 0.6261(5) 0.6527(2) 0.1973(2) 0.0642(14) Uani 1 d . .
H12B H 0.6014(5) 0.6870(2) 0.1776(2) 0.077 Uiso 1 calc R .
C13A C 0.6600(6) 0.6021(3) 0.1652(2) 0.075(2) Uani 1 d . .
H13A H 0.6594(6) 0.6028(3) 0.1243(2) 0.090 Uiso 1 calc R .
C14A C 0.6945(5) 0.5509(3) 0.1930(2) 0.074(2) Uani 1 d . .
H14B H 0.7166(5) 0.5166(3) 0.1711(2) 0.089 Uiso 1 calc R .
C15A C 0.6969(5) 0.5496(2) 0.2538(2) 0.0591(13) Uani 1 d . .
H15A H 0.7209(5) 0.5146(2) 0.2725(2) 0.071 Uiso 1 calc R .
C16A C 0.4566(5) 0.7657(2) 0.3509(2) 0.0633(13) Uani 1 d . .
H16A H 0.4171(5) 0.7617(2) 0.3883(2) 0.095 Uiso 1 calc R .
H16B H 0.3935(5) 0.7639(2) 0.3201(2) 0.095 Uiso 1 calc R .
H16C H 0.5157(5) 0.8072(2) 0.3503(2) 0.095 Uiso 1 calc R .
C17A C 0.8115(5) 0.6446(2) 0.4607(2) 0.0552(12) Uani 1 d . .
C18A C 0.7148(5) 0.6454(2) 0.4996(2) 0.0632(14) Uani 1 d . .
H18A H 0.6421(5) 0.6588(2) 0.4868(2) 0.076 Uiso 1 calc R .
C19A C 0.7256(7) 0.6266(2) 0.5569(2) 0.084(2) Uani 1 d . .
H19A H 0.6593(7) 0.6262(2) 0.5821(2) 0.100 Uiso 1 calc R .
C20A C 0.8320(9) 0.6087(3) 0.5767(3) 0.102(3) Uani 1 d . .
H20C H 0.8387(9) 0.5973(3) 0.6158(3) 0.123 Uiso 1 calc R .
C21A C 0.9302(8) 0.6073(3) 0.5400(3) 0.103(2) Uani 1 d . .
H21D H 1.0022(8) 0.5940(3) 0.5539(3) 0.123 Uiso 1 calc R .
C22A C 0.9209(6) 0.6261(2) 0.4816(2) 0.079(2) Uani 1 d . .
H22D H 0.9877(6) 0.6263(2) 0.4567(2) 0.095 Uiso 1 calc R .
C23A C 0.9339(5) 0.6561(2) 0.3480(2) 0.0528(12) Uani 1 d . .
C24A C 1.0093(5) 0.7080(2) 0.3212(2) 0.0620(13) Uani 1 d . .
H24C H 0.9883(5) 0.7494(2) 0.3230(2) 0.074 Uiso 1 calc R .
C25A C 1.1144(6) 0.7004(3) 0.2921(2) 0.083(2) Uani 1 d . .
H25D H 1.1621(6) 0.7358(3) 0.2731(2) 0.100 Uiso 1 calc R .
C26A C 1.1490(7) 0.6409(4) 0.2909(3) 0.096(2) Uani 1 d . .
H26D H 1.2234(7) 0.6365(4) 0.2732(3) 0.115 Uiso 1 calc R .
C27A C 1.0751(7) 0.5875(3) 0.3155(3) 0.094(2) Uani 1 d . .
H27D H 1.0971(7) 0.5465(3) 0.3128(3) 0.112 Uiso 1 calc R .
C28A C 0.9681(6) 0.5944(2) 0.3445(2) 0.075(2) Uani 1 d . .
H28D H 0.9187(6) 0.5581(2) 0.3616(2) 0.090 Uiso 1 calc R .
Rh1B Rh 0.69888(3) 0.74141(2) 0.830210(13) 0.04070(10) Uani 1 d . .
P1B P 0.79289(11) 0.68682(5) 0.89736(4) 0.0396(3) Uani 1 d . .
C1B C 0.6862(4) 0.6062(2) 0.9133(2) 0.0450(11) Uani 1 d . .
H1BA H 0.7314(4) 0.5840(2) 0.9417(2) 0.054 Uiso 1 calc R .
C2B C 0.5677(4) 0.6153(2) 0.9411(2) 0.0484(11) Uani 1 d . .
C3B C 0.4820(5) 0.6489(2) 0.9138(2) 0.0540(12) Uani 1 d . .
C4B C 0.4895(4) 0.6697(2) 0.8510(2) 0.0523(12) Uani 1 d . .
C5B C 0.5475(4) 0.6412(2) 0.8073(2) 0.0522(12) Uani 1 d . .
H5BA H 0.5053(4) 0.6437(2) 0.7690(2) 0.063 Uiso 1 calc R .
C6B C 0.6042(4) 0.5831(2) 0.8083(2) 0.0480(11) Uani 1 d . .
C7B C 0.6649(4) 0.5634(2) 0.8576(2) 0.0473(11) Uani 1 d . .
C8B C 0.5450(5) 0.5929(2) 0.9980(2) 0.0708(15) Uani 1 d . .
H8BA H 0.5995(5) 0.5692(2) 1.0153(2) 0.085 Uiso 1 calc R .
C9B C 0.4460(7) 0.6048(3) 1.0287(3) 0.094(2) Uani 1 d . .
H9BA H 0.4337(7) 0.5897(3) 1.0667(3) 0.112 Uiso 1 calc R .
C10B C 0.3630(7) 0.6395(3) 1.0032(3) 0.101(2) Uani 1 d . .
H10D H 0.2953(7) 0.6483(3) 1.0241(3) 0.121 Uiso 1 calc R .
C11B C 0.3818(5) 0.6607(3) 0.9470(2) 0.079(2) Uani 1 d . .
H11D H 0.3257(5) 0.6838(3) 0.9303(2) 0.094 Uiso 1 calc R .
C12B C 0.5998(5) 0.5448(2) 0.7563(2) 0.0647(14) Uani 1 d . .
H12C H 0.5657(5) 0.5586(2) 0.7220(2) 0.078 Uiso 1 calc R .
C13B C 0.6443(6) 0.4876(3) 0.7546(2) 0.078(2) Uani 1 d . .
H13B H 0.6382(6) 0.4622(3) 0.7198(2) 0.094 Uiso 1 calc R .
C14B C 0.6980(5) 0.4681(2) 0.8044(2) 0.079(2) Uani 1 d . .
H14D H 0.7270(5) 0.4288(2) 0.8035(2) 0.095 Uiso 1 calc R .
C15B C 0.7094(5) 0.5056(2) 0.8554(2) 0.0635(13) Uani 1 d . .
H15C H 0.7473(5) 0.4921(2) 0.8888(2) 0.076 Uiso 1 calc R .
C16B C 0.3996(5) 0.7131(2) 0.8333(2) 0.0670(14) Uani 1 d . .
H16D H 0.3661(5) 0.7298(2) 0.8680(2) 0.101 Uiso 1 calc R .
H16E H 0.3319(5) 0.6878(2) 0.8091(2) 0.101 Uiso 1 calc R .
H16F H 0.4437(5) 0.7494(2) 0.8116(2) 0.101 Uiso 1 calc R .
C17B C 0.8547(5) 0.7195(2) 0.9708(2) 0.0475(11) Uani 1 d . .
C18B C 0.7722(5) 0.7316(2) 1.0135(2) 0.0575(13) Uani 1 d . .
H18B H 0.6860(5) 0.7228(2) 1.0048(2) 0.069 Uiso 1 calc R .
C19B C 0.8169(7) 0.7567(2) 1.0690(2) 0.080(2) Uani 1 d . .
H19B H 0.7616(7) 0.7650(2) 1.0974(2) 0.097 Uiso 1 calc R .
C20B C 0.9442(8) 0.7691(3) 1.0810(2) 0.089(2) Uani 1 d . .
H20A H 0.9746(8) 0.7858(3) 1.1182(2) 0.107 Uiso 1 calc R .
C21B C 1.0267(6) 0.7578(2) 1.0405(2) 0.078(2) Uani 1 d . .
H21A H 1.1127(6) 0.7664(2) 1.0496(2) 0.094 Uiso 1 calc R .
C22B C 0.9814(5) 0.7329(2) 0.9848(2) 0.0608(13) Uani 1 d . .
H22A H 1.0379(5) 0.7253(2) 0.9567(2) 0.073 Uiso 1 calc R .
C23B C 0.9220(4) 0.6564(2) 0.8652(2) 0.0454(11) Uani 1 d . .
C24B C 0.9817(5) 0.6113(2) 0.8950(2) 0.0594(13) Uani 1 d . .
H24D H 0.9616(5) 0.6009(2) 0.9336(2) 0.071 Uiso 1 calc R .
C25B C 1.0689(5) 0.5832(2) 0.8669(3) 0.076(2) Uani 1 d . .
H25C H 1.1096(5) 0.5545(2) 0.8868(3) 0.092 Uiso 1 calc R .
C26B C 1.0961(6) 0.5971(3) 0.8096(3) 0.089(2) Uani 1 d . .
H26C H 1.1523(6) 0.5761(3) 0.7903(3) 0.107 Uiso 1 calc R .
C27B C 1.0425(6) 0.6411(3) 0.7807(2) 0.087(2) Uani 1 d . .
H27B H 1.0646(6) 0.6516(3) 0.7423(2) 0.104 Uiso 1 calc R .
C28B C 0.9548(5) 0.6701(2) 0.8083(2) 0.0641(13) Uani 1 d . .
H28C H 0.9171(5) 0.6996(2) 0.7878(2) 0.077 Uiso 1 calc R .
P1C P 0.79528(11) 0.83985(5) 0.86611(4) 0.0389(3) Uani 1 d . .
C1C C 0.7941(4) 0.9038(2) 0.8096(2) 0.0462(11) Uani 1 d . .
H1CA H 0.8326(4) 0.9468(2) 0.8282(2) 0.055 Uiso 1 calc R .
C2C C 0.8765(4) 0.8913(2) 0.7597(2) 0.0456(10) Uani 1 d . .
C3C C 0.8548(4) 0.8311(2) 0.7282(2) 0.0481(11) Uani 1 d . .
C4C C 0.7381(5) 0.7785(2) 0.7329(2) 0.0486(11) Uani 1 d . .
C5C C 0.6222(5) 0.7893(2) 0.7486(2) 0.0492(11) Uani 1 d . .
H5CA H 0.5539(5) 0.7579(2) 0.7277(2) 0.059 Uiso 1 calc R .
C6C C 0.5838(4) 0.8514(2) 0.7628(2) 0.0495(11) Uani 1 d . .
C7C C 0.6628(4) 0.9067(2) 0.7909(2) 0.0496(11) Uani 1 d . .
C8C C 0.9799(5) 0.9408(2) 0.7482(2) 0.0586(13) Uani 1 d . .
H8CA H 0.9917(5) 0.9811(2) 0.7688(2) 0.070 Uiso 1 calc R .
C9C C 1.0648(5) 0.9309(3) 0.7069(2) 0.0705(14) Uani 1 d . .
H9CA H 1.1330(5) 0.9646(3) 0.6990(2) 0.085 Uiso 1 calc R .
C10C C 1.0484(5) 0.8716(3) 0.6777(2) 0.078(2) Uani 1 d . .
H10B H 1.1070(5) 0.8641(3) 0.6506(2) 0.093 Uiso 1 calc R .
C11C C 0.9463(5) 0.8225(3) 0.6879(2) 0.0661(14) Uani 1 d . .
H11A H 0.9374(5) 0.7822(3) 0.6674(2) 0.079 Uiso 1 calc R .
C12C C 0.4595(5) 0.8563(3) 0.7474(2) 0.0690(14) Uani 1 d . .
H12A H 0.4052(5) 0.8204(3) 0.7290(2) 0.083 Uiso 1 calc R .
C13C C 0.4173(6) 0.9127(3) 0.7591(2) 0.081(2) Uani 1 d . .
H13D H 0.3351(6) 0.9150(3) 0.7484(2) 0.097 Uiso 1 calc R .
C14C C 0.4959(6) 0.9668(3) 0.7869(2) 0.080(2) Uani 1 d . .
H14A H 0.4668(6) 1.0053(3) 0.7948(2) 0.096 Uiso 1 calc R .
C15C C 0.6161(5) 0.9631(2) 0.8026(2) 0.0633(13) Uani 1 d . .
H15D H 0.6683(5) 0.9994(2) 0.8216(2) 0.076 Uiso 1 calc R .
C16C C 0.7363(5) 0.7150(2) 0.6972(2) 0.0679(14) Uani 1 d . .
H16G H 0.8210(5) 0.7119(2) 0.6884(2) 0.102 Uiso 1 calc R .
H16H H 0.6884(5) 0.7153(2) 0.6611(2) 0.102 Uiso 1 calc R .
H16I H 0.6983(5) 0.6778(2) 0.7195(2) 0.102 Uiso 1 calc R .
C17C C 0.9582(4) 0.8572(2) 0.8935(2) 0.0441(11) Uani 1 d . .
C18C C 0.9955(5) 0.8857(2) 0.9489(2) 0.0626(13) Uani 1 d . .
H18C H 0.9360(5) 0.8982(2) 0.9731(2) 0.075 Uiso 1 calc R .
C19C C 1.1192(6) 0.8955(3) 0.9684(3) 0.082(2) Uani 1 d . .
H19D H 1.1422(6) 0.9141(3) 1.0058(3) 0.099 Uiso 1 calc R .
C20C C 1.2074(6) 0.8785(3) 0.9339(3) 0.087(2) Uani 1 d . .
H20B H 1.2910(6) 0.8858(3) 0.9474(3) 0.104 Uiso 1 calc R .
C21C C 1.1738(5) 0.8502(2) 0.8785(3) 0.0729(15) Uani 1 d . .
H21B H 1.2346(5) 0.8385(2) 0.8546(3) 0.088 Uiso 1 calc R .
C22C C 1.0490(5) 0.8393(2) 0.8586(2) 0.0571(12) Uani 1 d . .
H22B H 1.0262(5) 0.8198(2) 0.8215(2) 0.068 Uiso 1 calc R .
C23C C 0.7030(4) 0.8690(2) 0.9229(2) 0.0436(10) Uani 1 d . .
C24C C 0.7235(5) 0.9349(2) 0.9428(2) 0.0657(14) Uani 1 d . .
H24B H 0.7904(5) 0.9653(2) 0.9284(2) 0.079 Uiso 1 calc R .
C25C C 0.6472(6) 0.9555(3) 0.9829(2) 0.079(2) Uani 1 d . .
H25B H 0.6606(6) 0.9999(3) 0.9946(2) 0.095 Uiso 1 calc R .
C26C C 0.5519(5) 0.9115(3) 1.0058(2) 0.0737(15) Uani 1 d . .
H26A H 0.5014(5) 0.9257(3) 1.0338(2) 0.088 Uiso 1 calc R .
C27C C 0.5294(5) 0.8467(2) 0.9882(2) 0.0646(13) Uani 1 d . .
H27A H 0.4648(5) 0.8166(2) 1.0046(2) 0.078 Uiso 1 calc R .
C28C C 0.6026(5) 0.8261(2) 0.9461(2) 0.0528(12) Uani 1 d . .
H28A H 0.5842(5) 0.7821(2) 0.9328(2) 0.063 Uiso 1 calc R .
P2 P 0.3039(2) 0.63069(7) 0.64047(5) 0.0659(4) Uani 1 d . .
F1 F 0.3059(5) 0.6127(3) 0.7062(2) 0.163(2) Uani 1 d D .
F2 F 0.4362(8) 0.6125(6) 0.6385(3) 0.189(5) Uani 0.787(14) d P .
F2A F 0.3482(17) 0.5724(12) 0.6244(15) 0.156(8) Uani 0.213(14) d PD .
F3 F 0.2533(10) 0.5591(3) 0.6184(4) 0.190(5) Uani 0.787(14) d P .
F3A F 0.1621(15) 0.5958(10) 0.6350(3) 0.156(8) Uani 0.213(14) d PD .
F4 F 0.1736(6) 0.6503(5) 0.6456(2) 0.153(4) Uani 0.787(14) d P .
F4A F 0.2739(23) 0.6895(10) 0.6708(14) 0.156(8) Uani 0.213(14) d PD .
F5 F 0.3696(11) 0.7010(3) 0.6586(3) 0.183(5) Uani 0.787(14) d P .
F5A F 0.4335(25) 0.6656(13) 0.6378(16) 0.156(8) Uani 0.213(14) d P .
F6 F 0.3009(6) 0.6511(2) 0.57709(15) 0.178(2) Uani 1 d D .
P3 P 0.3801(2) 0.80760(8) 0.16092(6) 0.0792(5) Uani 1 d . .
F7 F 0.4221(6) 0.8425(3) 0.2215(2) 0.190(2) Uani 1 d . .
F8 F 0.2404(4) 0.8113(3) 0.1742(2) 0.156(2) Uani 1 d . .
F9 F 0.3637(5) 0.7414(2) 0.1929(2) 0.164(2) Uani 1 d . .
F10 F 0.5165(4) 0.8019(2) 0.1490(2) 0.168(2) Uani 1 d . .
F11 F 0.4049(6) 0.8760(2) 0.1338(2) 0.183(2) Uani 1 d . .
F12 F 0.3385(5) 0.7761(3) 0.1013(2) 0.186(2) Uani 1 d . .
N1A N 1.0084(9) 1.0514(3) 0.8871(4) 0.143(3) Uani 1 d . .
C1A C 1.1089(11) 1.0513(4) 0.8779(3) 0.108(3) Uani 1 d . .
C2A C 1.2355(10) 1.0499(4) 0.8616(4) 0.163(4) Uani 1 d . .
H2A1 H 1.2586(24) 1.0108(17) 0.8761(26) 0.244 Uiso 1 calc R .
H2A2 H 1.2921(12) 1.0882(17) 0.8784(24) 0.244 Uiso 1 calc R .
H2A3 H 1.2402(17) 1.0498(33) 0.8195(4) 0.244 Uiso 1 calc R .
N2A N 0.8780(10) 0.5644(4) 1.0440(3) 0.163(3) Uani 1 d . .
C3A C 0.9434(11) 0.5861(5) 1.0824(4) 0.134(3) Uani 1 d . .
C4A C 1.0150(9) 0.6139(4) 1.1346(4) 0.174(4) Uani 1 d . .
H4A1 H 1.1034(9) 0.6201(36) 1.1274(12) 0.262 Uiso 1 calc R .
H4A2 H 0.9946(57) 0.5844(19) 1.1665(10) 0.262 Uiso 1 calc R .
H4A3 H 0.9946(55) 0.6557(19) 1.1449(20) 0.262 Uiso 1 calc R .
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'
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'
N N 0.0061 0.0033 '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
P1 Rh1 P1A 94.18(4) . . yes
P1 Rh1 C5 90.18(11) . . yes
P1A Rh1 C5 166.66(12) . . yes
P1 Rh1 C4 90.08(11) . . yes
P1A Rh1 C4 133.28(13) . . yes
C5 Rh1 C4 33.96(15) . . yes
P1 Rh1 C5A 167.00(12) . . yes
P1A Rh1 C5A 89.74(10) . . yes
C5 Rh1 C5A 88.79(15) . . yes
C4 Rh1 C5A 96.25(14) . . yes
P1 Rh1 C4A 134.52(10) . . yes
P1A Rh1 C4A 89.29(10) . . yes
C5 Rh1 C4A 96.6(2) . . yes
C4 Rh1 C4A 119.3(2) . . yes
C5A Rh1 C4A 33.00(14) . . yes
C17 P1 C23 102.6(2) . . yes
C17 P1 C1 102.8(2) . . yes
C23 P1 C1 101.6(2) . . yes
C17 P1 Rh1 125.04(13) . . yes
C23 P1 Rh1 111.81(14) . . yes
C1 P1 Rh1 110.25(13) . . yes
C7 C1 C2 114.1(3) . . ?
C7 C1 P1 110.8(3) . . ?
C2 C1 P1 109.9(3) . . ?
C8 C2 C3 119.7(4) . . ?
C8 C2 C1 119.1(4) . . ?
C3 C2 C1 121.0(4) . . ?
C11 C3 C2 116.4(4) . . ?
C11 C3 C4 120.0(4) . . ?
C2 C3 C4 123.6(4) . . ?
C5 C4 C3 125.9(4) . . ?
C5 C4 C16 115.2(4) . . ?
C3 C4 C16 115.5(4) . . ?
C5 C4 Rh1 72.0(2) . . ?
C3 C4 Rh1 113.9(3) . . ?
C16 C4 Rh1 102.0(3) . . ?
C4 C5 C6 129.4(4) . . ?
C4 C5 Rh1 74.0(2) . . ?
C6 C5 Rh1 114.9(3) . . ?
C12 C6 C7 118.2(4) . . ?
C12 C6 C5 118.0(4) . . ?
C7 C6 C5 123.8(4) . . ?
C15 C7 C6 119.3(5) . . ?
C15 C7 C1 120.4(4) . . ?
C6 C7 C1 120.2(4) . . ?
C9 C8 C2 121.9(5) . . ?
C8 C9 C10 119.4(5) . . ?
C11 C10 C9 120.3(5) . . ?
C10 C11 C3 122.1(5) . . ?
C13 C12 C6 121.1(5) . . ?
C12 C13 C14 120.6(6) . . ?
C15 C14 C13 119.1(5) . . ?
C14 C15 C7 121.6(5) . . ?
C18 C17 C22 117.1(4) . . ?
C18 C17 P1 121.3(3) . . ?
C22 C17 P1 121.5(4) . . ?
C17 C18 C19 120.3(5) . . ?
C20 C19 C18 120.3(5) . . ?
C21 C20 C19 119.7(6) . . ?
C20 C21 C22 121.2(6) . . ?
C21 C22 C17 121.1(5) . . ?
C28 C23 C24 118.3(4) . . ?
C28 C23 P1 119.6(3) . . ?
C24 C23 P1 122.1(3) . . ?
C25 C24 C23 120.2(5) . . ?
C26 C25 C24 120.4(5) . . ?
C25 C26 C27 120.3(5) . . ?
C26 C27 C28 119.6(5) . . ?
C23 C28 C27 121.1(5) . . ?
C23A P1A C17A 105.4(2) . . yes
C23A P1A C1A 101.8(2) . . yes
C17A P1A C1A 102.6(2) . . yes
C23A P1A Rh1 110.24(14) . . yes
C17A P1A Rh1 124.63(15) . . yes
C1A P1A Rh1 109.76(14) . . yes
C2A C1A C7A 114.1(4) . . ?
C2A C1A P1A 110.0(3) . . ?
C7A C1A P1A 111.6(3) . . ?
C8A C2A C3A 119.7(5) . . ?
C8A C2A C1A 118.3(4) . . ?
C3A C2A C1A 121.8(4) . . ?
C2A C3A C11A 117.0(4) . . ?
C2A C3A C4A 124.4(4) . . ?
C11A C3A C4A 118.6(4) . . ?
C5A C4A C3A 124.2(4) . . ?
C5A C4A C16A 117.4(4) . . ?
C3A C4A C16A 115.5(4) . . ?
C5A C4A Rh1 71.6(3) . . ?
C3A C4A Rh1 113.1(3) . . ?
C16A C4A Rh1 101.8(3) . . ?
C4A C5A C6A 130.9(4) . . ?
C4A C5A Rh1 75.4(2) . . ?
C6A C5A Rh1 112.5(3) . . ?
C12A C6A C7A 117.3(4) . . ?
C12A C6A C5A 118.1(4) . . ?
C7A C6A C5A 124.6(4) . . ?
C15A C7A C6A 120.3(4) . . ?
C15A C7A C1A 120.0(4) . . ?
C6A C7A C1A 119.6(4) . . ?
C9A C8A C2A 121.1(5) . . ?
C10A C9A C8A 120.3(5) . . ?
C9A C10A C11A 119.6(5) . . ?
C10A C11A C3A 122.4(5) . . ?
C13A C12A C6A 121.3(4) . . ?
C14A C13A C12A 120.4(4) . . ?
C13A C14A C15A 120.2(5) . . ?
C7A C15A C14A 120.5(4) . . ?
C18A C17A C22A 118.3(4) . . ?
C18A C17A P1A 119.3(4) . . ?
C22A C17A P1A 122.3(4) . . ?
C19A C18A C17A 120.7(6) . . ?
C20A C19A C18A 120.5(6) . . ?
C19A C20A C21A 121.0(6) . . ?
C20A C21A C22A 119.3(7) . . ?
C17A C22A C21A 120.1(6) . . ?
C24A C23A C28A 117.8(5) . . ?
C24A C23A P1A 119.6(4) . . ?
C28A C23A P1A 122.6(4) . . ?
C25A C24A C23A 121.7(5) . . ?
C26A C25A C24A 119.9(6) . . ?
C25A C26A C27A 120.3(6) . . ?
C26A C27A C28A 120.2(5) . . ?
C27A C28A C23A 120.0(5) . . ?
P1C Rh1B P1B 93.44(4) . . yes
P1C Rh1B C5C 90.84(11) . . yes
P1B Rh1B C5C 169.77(12) . . yes
P1C Rh1B C4C 89.73(10) . . yes
P1B Rh1B C4C 136.79(13) . . yes
C5C Rh1B C4C 33.84(14) . . yes
P1C Rh1B C5B 164.05(12) . . yes
P1B Rh1B C5B 89.15(11) . . yes
C5C Rh1B C5B 89.28(15) . . yes
C4C Rh1B C5B 99.13(14) . . yes
P1C Rh1B C4B 131.78(11) . . yes
P1B Rh1B C4B 89.78(10) . . yes
C5C Rh1B C4B 94.3(2) . . yes
C4C Rh1B C4B 119.07(15) . . yes
C5B Rh1B C4B 32.40(14) . . yes
C23B P1B C17B 104.2(2) . . yes
C23B P1B C1B 99.6(2) . . yes
C17B P1B C1B 103.3(2) . . yes
C23B P1B Rh1B 110.69(14) . . yes
C17B P1B Rh1B 125.75(13) . . yes
C1B P1B Rh1B 110.07(15) . . yes
C2B C1B C7B 113.9(3) . . ?
C2B C1B P1B 112.4(3) . . ?
C7B C1B P1B 108.7(3) . . ?
C8B C2B C3B 119.0(5) . . ?
C8B C2B C1B 118.1(4) . . ?
C3B C2B C1B 122.8(4) . . ?
C11B C3B C2B 117.3(4) . . ?
C11B C3B C4B 118.7(5) . . ?
C2B C3B C4B 123.9(4) . . ?
C5B C4B C3B 124.9(4) . . ?
C5B C4B C16B 118.2(4) . . ?
C3B C4B C16B 115.1(4) . . ?
C5B C4B Rh1B 69.5(3) . . ?
C3B C4B Rh1B 112.2(3) . . ?
C16B C4B Rh1B 101.7(3) . . ?
C4B C5B C6B 130.0(4) . . ?
C4B C5B Rh1B 78.1(2) . . ?
C6B C5B Rh1B 112.2(3) . . ?
C7B C6B C12B 117.3(4) . . ?
C7B C6B C5B 124.6(4) . . ?
C12B C6B C5B 118.1(4) . . ?
C15B C7B C6B 120.5(4) . . ?
C15B C7B C1B 119.1(4) . . ?
C6B C7B C1B 120.4(4) . . ?
C9B C8B C2B 122.0(6) . . ?
C8B C9B C10B 119.7(6) . . ?
C11B C10B C9B 119.3(6) . . ?
C10B C11B C3B 122.6(6) . . ?
C13B C12B C6B 121.6(5) . . ?
C12B C13B C14B 119.5(5) . . ?
C15B C14B C13B 120.8(5) . . ?
C14B C15B C7B 120.1(5) . . ?
C22B C17B C18B 118.4(4) . . ?
C22B C17B P1B 121.8(4) . . ?
C18B C17B P1B 119.8(4) . . ?
C19B C18B C17B 120.7(5) . . ?
C20B C19B C18B 118.8(5) . . ?
C21B C20B C19B 121.9(5) . . ?
C20B C21B C22B 119.1(6) . . ?
C17B C22B C21B 121.1(5) . . ?
C28B C23B C24B 117.7(4) . . ?
C28B C23B P1B 120.6(3) . . ?
C24B C23B P1B 121.3(3) . . ?
C25B C24B C23B 120.0(5) . . ?
C26B C25B C24B 120.1(5) . . ?
C27B C26B C25B 120.9(5) . . ?
C26B C27B C28B 119.7(5) . . ?
C23B C28B C27B 121.4(5) . . ?
C23C P1C C17C 106.9(2) . . yes
C23C P1C C1C 100.7(2) . . yes
C17C P1C C1C 103.3(2) . . yes
C23C P1C Rh1B 110.74(14) . . yes
C17C P1C Rh1B 122.61(13) . . yes
C1C P1C Rh1B 110.27(13) . . yes
C7C C1C C2C 114.3(3) . . ?
C7C C1C P1C 111.1(3) . . ?
C2C C1C P1C 109.0(3) . . ?
C8C C2C C3C 120.6(4) . . ?
C8C C2C C1C 117.7(4) . . ?
C3C C2C C1C 121.6(4) . . ?
C2C C3C C11C 116.3(4) . . ?
C2C C3C C4C 123.8(4) . . ?
C11C C3C C4C 119.8(4) . . ?
C5C C4C C3C 125.2(4) . . ?
C5C C4C C16C 115.6(4) . . ?
C3C C4C C16C 115.3(4) . . ?
C5C C4C Rh1B 71.5(2) . . ?
C3C C4C Rh1B 114.2(3) . . ?
C16C C4C Rh1B 103.4(3) . . ?
C4C C5C C6C 129.4(4) . . ?
C4C C5C Rh1B 74.6(2) . . ?
C6C C5C Rh1B 113.7(3) . . ?
C12C C6C C7C 117.8(4) . . ?
C12C C6C C5C 118.0(4) . . ?
C7C C6C C5C 124.3(4) . . ?
C15C C7C C6C 119.3(5) . . ?
C15C C7C C1C 120.5(4) . . ?
C6C C7C C1C 120.2(4) . . ?
C9C C8C C2C 121.0(5) . . ?
C10C C9C C8C 119.2(5) . . ?
C9C C10C C11C 120.7(5) . . ?
C10C C11C C3C 122.1(5) . . ?
C13C C12C C6C 121.2(5) . . ?
C12C C13C C14C 120.5(6) . . ?
C15C C14C C13C 119.4(5) . . ?
C14C C15C C7C 121.8(5) . . ?
C22C C17C C18C 118.2(4) . . ?
C22C C17C P1C 118.7(3) . . ?
C18C C17C P1C 123.1(4) . . ?
C19C C18C C17C 120.8(5) . . ?
C20C C19C C18C 120.8(6) . . ?
C19C C20C C21C 120.0(6) . . ?
C20C C21C C22C 119.7(5) . . ?
C17C C22C C21C 120.6(5) . . ?
C28C C23C C24C 116.8(4) . . ?
C28C C23C P1C 120.1(3) . . ?
C24C C23C P1C 123.0(3) . . ?
C25C C24C C23C 121.2(5) . . ?
C26C C25C C24C 120.1(5) . . ?
C25C C26C C27C 120.6(5) . . ?
C26C C27C C28C 119.6(5) . . ?
C27C C28C C23C 121.6(4) . . ?
F2A P2 F5 133.6(9) . . ?
F2A P2 F6 92.0(14) . . ?
F5 P2 F6 89.3(3) . . ?
F2A P2 F3 39.8(7) . . ?
F5 P2 F3 172.7(6) . . ?
F6 P2 F3 88.1(3) . . ?
F2A P2 F4A 166.2(20) . . ?
F5 P2 F4A 41.4(7) . . ?
F6 P2 F4A 100.3(14) . . ?
F3 P2 F4A 145.9(8) . . ?
F2A P2 F1 90.4(14) . . ?
F5 P2 F1 88.7(3) . . ?
F6 P2 F1 177.5(3) . . ?
F3 P2 F1 94.1(4) . . ?
F4A P2 F1 77.2(14) . . ?
F2A P2 F4 136.4(8) . . ?
F5 P2 F4 90.0(5) . . ?
F6 P2 F4 86.6(3) . . ?
F3 P2 F4 96.6(5) . . ?
F4A P2 F4 51.6(9) . . ?
F1 P2 F4 91.9(3) . . ?
F2A P2 F2 45.5(8) . . ?
F5 P2 F2 88.3(5) . . ?
F6 P2 F2 95.6(4) . . ?
F3 P2 F2 85.2(5) . . ?
F4A P2 F2 126.1(10) . . ?
F1 P2 F2 85.8(3) . . ?
F4 P2 F2 177.2(4) . . ?
F2A P2 F5A 86.6(12) . . ?
F5 P2 F5A 47.8(9) . . ?
F6 P2 F5A 81.9(15) . . ?
F3 P2 F5A 125.1(11) . . ?
F4A P2 F5A 89.0(11) . . ?
F1 P2 F5A 97.9(16) . . ?
F4 P2 F5A 136.0(12) . . ?
F2 P2 F5A 43.0(10) . . ?
F2A P2 F3A 94.0(7) . . ?
F5 P2 F3A 132.3(8) . . ?
F6 P2 F3A 90.8(2) . . ?
F3 P2 F3A 54.5(7) . . ?
F4A P2 F3A 92.1(8) . . ?
F1 P2 F3A 89.4(2) . . ?
F4 P2 F3A 42.5(6) . . ?
F2 P2 F3A 139.0(8) . . ?
F5A P2 F3A 172.6(15) . . ?
F2A F2 F5A 120.9(21) . . ?
F2A F2 P2 61.4(10) . . ?
F5A F2 P2 63.1(13) . . ?
F2 F2A F3 149.0(21) . . ?
F2 F2A P2 73.2(13) . . ?
F3 F2A P2 75.8(10) . . ?
F2A F3 F3A 127.5(16) . . ?
F2A F3 P2 64.4(12) . . ?
F3A F3 P2 63.6(7) . . ?
F4 F3A F3 129.7(13) . . ?
F4 F3A P2 68.6(8) . . ?
F3 F3A P2 61.9(7) . . ?
F4A F4 F3A 126.3(16) . . ?
F4A F4 P2 61.3(11) . . ?
F3A F4 P2 69.0(9) . . ?
F4 F4A F5 131.7(20) . . ?
F4 F4A P2 67.2(7) . . ?
F5 F4A P2 71.5(13) . . ?
F4A F5 F5A 129.5(17) . . ?
F4A F5 P2 67.1(10) . . ?
F5A F5 P2 62.7(11) . . ?
F2 F5A F5 136.6(23) . . ?
F2 F5A P2 73.9(13) . . ?
F5 F5A P2 69.5(13) . . ?
F12 P3 F11 89.9(3) . . ?
F12 P3 F10 89.9(3) . . ?
F11 P3 F10 89.8(3) . . ?
F12 P3 F9 94.9(3) . . ?
F11 P3 F9 174.7(3) . . ?
F10 P3 F9 88.1(3) . . ?
F12 P3 F7 177.9(3) . . ?
F11 P3 F7 88.1(3) . . ?
F10 P3 F7 90.7(3) . . ?
F9 P3 F7 87.1(3) . . ?
F12 P3 F8 90.3(3) . . ?
F11 P3 F8 92.0(3) . . ?
F10 P3 F8 178.1(3) . . ?
F9 P3 F8 90.0(3) . . ?
F7 P3 F8 89.0(3) . . ?
N1A C1A C2A 175.7(10) . . ?
N2A C3A C4A 173.9(13) . . ?
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 P1 2.2260(11) . yes
Rh1 P1A 2.2604(12) . yes
Rh1 C5 2.337(4) . yes
Rh1 C4 2.362(4) . yes
Rh1 C5A 2.404(4) . yes
Rh1 C4A 2.451(4) . yes
P1 C17 1.818(5) . yes
P1 C23 1.819(4) . yes
P1 C1 1.878(4) . yes
C1 C7 1.491(6) . ?
C1 C2 1.502(6) . ?
C2 C8 1.375(6) . ?
C2 C3 1.415(6) . ?
C3 C11 1.400(6) . ?
C3 C4 1.491(6) . ?
C4 C5 1.372(6) . yes
C4 C16 1.527(6) . ?
C5 C6 1.468(6) . ?
C6 C12 1.395(6) . ?
C6 C7 1.410(6) . ?
C7 C15 1.385(6) . ?
C8 C9 1.360(7) . ?
C9 C10 1.364(7) . ?
C10 C11 1.364(7) . ?
C12 C13 1.369(7) . ?
C13 C14 1.382(8) . ?
C14 C15 1.373(7) . ?
C17 C18 1.388(6) . ?
C17 C22 1.396(6) . ?
C18 C19 1.399(7) . ?
C19 C20 1.369(8) . ?
C20 C21 1.341(8) . ?
C21 C22 1.376(7) . ?
C23 C28 1.370(6) . ?
C23 C24 1.391(5) . ?
C24 C25 1.378(6) . ?
C25 C26 1.351(8) . ?
C26 C27 1.370(7) . ?
C27 C28 1.378(7) . ?
P1A C23A 1.825(5) . yes
P1A C17A 1.830(4) . yes
P1A C1A 1.858(4) . yes
C1A C2A 1.505(6) . ?
C1A C7A 1.505(5) . ?
C2A C8A 1.396(6) . ?
C2A C3A 1.402(6) . ?
C3A C11A 1.403(6) . ?
C3A C4A 1.490(5) . ?
C4A C5A 1.380(6) . yes
C4A C16A 1.520(6) . ?
C5A C6A 1.444(6) . ?
C6A C12A 1.400(5) . ?
C6A C7A 1.412(6) . ?
C7A C15A 1.378(6) . ?
C8A C9A 1.365(7) . ?
C9A C10A 1.366(8) . ?
C10A C11A 1.370(6) . ?
C12A C13A 1.376(6) . ?
C13A C14A 1.361(7) . ?
C14A C15A 1.380(6) . ?
C17A C18A 1.391(7) . ?
C17A C22A 1.395(7) . ?
C18A C19A 1.379(6) . ?
C19A C20A 1.352(9) . ?
C20A C21A 1.374(10) . ?
C21A C22A 1.401(7) . ?
C23A C24A 1.377(6) . ?
C23A C28A 1.401(6) . ?
C24A C25A 1.367(7) . ?
C25A C26A 1.358(8) . ?
C26A C27A 1.368(8) . ?
C27A C28A 1.378(8) . ?
Rh1B P1C 2.2122(11) . yes
Rh1B P1B 2.2664(11) . yes
Rh1B C5C 2.341(4) . yes
Rh1B C4C 2.381(4) . yes
Rh1B C5B 2.401(4) . yes
Rh1B C4B 2.508(4) . yes
P1B C23B 1.812(5) . yes
P1B C17B 1.839(4) . yes
P1B C1B 1.874(4) . yes
C1B C2B 1.490(6) . ?
C1B C7B 1.510(5) . ?
C2B C8B 1.395(6) . ?
C2B C3B 1.411(6) . ?
C3B C11B 1.396(7) . ?
C3B C4B 1.502(6) . ?
C4B C5B 1.373(6) . yes
C4B C16B 1.510(6) . ?
C5B C6B 1.458(6) . ?
C6B C7B 1.396(6) . ?
C6B C12B 1.399(6) . ?
C7B C15B 1.381(6) . ?
C8B C9B 1.356(8) . ?
C9B C10B 1.387(9) . ?
C10B C11B 1.369(7) . ?
C12B C13B 1.368(7) . ?
C13B C14B 1.368(7) . ?
C14B C15B 1.365(6) . ?
C17B C22B 1.371(6) . ?
C17B C18B 1.389(6) . ?
C18B C19B 1.386(6) . ?
C19B C20B 1.369(8) . ?
C20B C21B 1.350(8) . ?
C21B C22B 1.389(6) . ?
C23B C28B 1.372(6) . ?
C23B C24B 1.417(6) . ?
C24B C25B 1.370(7) . ?
C25B C26B 1.367(7) . ?
C26B C27B 1.354(8) . ?
C27B C28B 1.379(7) . ?
P1C C23C 1.817(4) . yes
P1C C17C 1.819(4) . yes
P1C C1C 1.872(4) . yes
C1C C7C 1.488(6) . ?
C1C C2C 1.511(6) . ?
C2C C8C 1.389(6) . ?
C2C C3C 1.393(6) . ?
C3C C11C 1.402(6) . ?
C3C C4C 1.498(6) . ?
C4C C5C 1.375(6) . yes
C4C C16C 1.522(6) . ?
C5C C6C 1.461(6) . ?
C6C C12C 1.408(7) . ?
C6C C7C 1.407(6) . ?
C7C C15C 1.386(6) . ?
C8C C9C 1.370(7) . ?
C9C C10C 1.356(7) . ?
C10C C11C 1.368(7) . ?
C12C C13C 1.361(7) . ?
C13C C14C 1.383(7) . ?
C14C C15C 1.360(7) . ?
C17C C22C 1.382(6) . ?
C17C C18C 1.388(6) . ?
C18C C19C 1.374(7) . ?
C19C C20C 1.348(8) . ?
C20C C21C 1.381(7) . ?
C21C C22C 1.387(7) . ?
C23C C28C 1.381(6) . ?
C23C C24C 1.396(5) . ?
C24C C25C 1.364(7) . ?
C25C C26C 1.356(7) . ?
C26C C27C 1.358(6) . ?
C27C C28C 1.373(6) . ?
P2 F2A 1.43(2) . ?
P2 F5 1.523(6) . ?
P2 F6 1.514(4) . ?
P2 F3 1.535(6) . ?
P2 F4A 1.48(2) . ?
P2 F1 1.549(4) . ?
P2 F4 1.555(6) . ?
P2 F2 1.558(8) . ?
P2 F5A 1.45(2) . ?
P2 F3A 1.56(2) . ?
F2 F2A 1.16(2) . ?
F2 F5A 1.10(2) . ?
F2A F3 1.01(2) . ?
F3 F3A 1.42(2) . ?
F3A F4 1.13(2) . ?
F4 F4A 1.32(2) . ?
F4A F5 1.06(2) . ?
F5 F5A 1.20(2) . ?
P3 F12 1.503(4) . ?
P3 F11 1.535(4) . ?
P3 F10 1.539(5) . ?
P3 F9 1.549(4) . ?
P3 F7 1.549(4) . ?
P3 F8 1.568(5) . ?
N1A C1A 1.115(11) . ?
C1A C2A 1.437(11) . ?
N2A C3A 1.131(11) . ?
C3A C4A 1.439(12) . ?
