#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/61/7106146.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_7106146
_publ_author_name
'Romaeo Dallanegra Alasdair P. M. Robertson Adrian B. Chaplin Ian Manners Andrew S. Weller'
_publ_section_title
;
 Tuning the [L2RhH3B·NR3]+ interaction using phosphine bite angle.
 Demonstration by the catalytic formation of polyaminoboranes
;
_journal_name_full               Chem.Commun.
_journal_page_first              3763
_journal_paper_doi               10.1039/c0cc05460g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety
'C30 H38 B N P2 Rh, C32 H12 B F24, 1.25(C6 H4 F2)'
_chemical_formula_sum            'C69.5 H55 B2 F26.5 N P2 Rh'
_chemical_formula_weight         1594.11
_chemical_melting_point          ?
_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-97
_cell_angle_alpha                110.1373(6)
_cell_angle_beta                 95.3780(7)
_cell_angle_gamma                99.4374(7)
_cell_formula_units_Z            2
_cell_length_a                   12.9731(2)
_cell_length_b                   17.4492(2)
_cell_length_c                   18.3033(3)
_cell_measurement_reflns_used    15041
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      5.097
_cell_volume                     3786.61(10)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26357
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         5.50
_exptl_absorpt_coefficient_mu    0.372
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1605
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
;
_refine_diff_density_max         0.840
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1196
_refine_ls_number_reflns         15201
_refine_ls_number_restraints     1688
_refine_ls_restrained_S_all      1.188
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0529
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0857P)²+4.3646P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                12968
_reflns_number_total             15201
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc05460g.txt
_cod_data_source_block           168abc10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3786.61(9)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C69.50 H55 B2 F26.50 N P2 Rh'
_cod_database_code               7106146
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.494839(19) 0.279710(15) 0.208855(15) 0.03173(10) Uani 1 1 d . B .
P1 P 0.66544(7) 0.30484(5) 0.25258(5) 0.03399(19) Uani 1 1 d D . .
P2 P 0.49611(7) 0.14986(5) 0.13673(5) 0.0351(2) Uani 1 1 d D . .
B1 B 0.3745(3) 0.3567(3) 0.2298(3) 0.0442(9) Uani 0.691(12) 1 d PDU A 1
H1A H 0.4639(10) 0.3834(4) 0.2560(4) 0.066 Uiso 0.691(12) 1 calc PRD A 1
H1B H 0.3614(3) 0.2853(7) 0.1940(4) 0.066 Uiso 0.691(12) 1 calc PRD A 1
H1C H 0.3247(5) 0.3680(3) 0.2808(6) 0.066 Uiso 0.691(12) 1 calc PRD A 1
N1 N 0.3384(5) 0.4024(4) 0.1731(4) 0.0523(12) Uani 0.691(12) 1 d PDU A 1
C1 C 0.4128(6) 0.4044(6) 0.1163(5) 0.056(2) Uani 0.691(12) 1 d PDU A 1
H1D H 0.4207 0.3475 0.0871 0.084 Uiso 0.691(12) 1 calc PR A 1
H1E H 0.4820 0.4388 0.1452 0.084 Uiso 0.691(12) 1 calc PR A 1
H1F H 0.3848 0.4282 0.0793 0.084 Uiso 0.691(12) 1 calc PR A 1
C2 C 0.3337(8) 0.4899(4) 0.2228(6) 0.075(2) Uani 0.691(12) 1 d PDU A 1
H2A H 0.4051 0.5211 0.2494 0.113 Uiso 0.691(12) 1 calc PR A 1
H2B H 0.2880 0.4886 0.2622 0.113 Uiso 0.691(12) 1 calc PR A 1
H2C H 0.3048 0.5171 0.1892 0.113 Uiso 0.691(12) 1 calc PR A 1
C3 C 0.2303(5) 0.3578(7) 0.1285(4) 0.069(2) Uani 0.691(12) 1 d PDU A 1
H3A H 0.2064 0.3872 0.0953 0.104 Uiso 0.691(12) 1 calc PR A 1
H3B H 0.1811 0.3563 0.1657 0.104 Uiso 0.691(12) 1 calc PR A 1
H3C H 0.2324 0.3007 0.0952 0.104 Uiso 0.691(12) 1 calc PR A 1
B11 B 0.3745(3) 0.3567(3) 0.2298(3) 0.0442(9) Uani 0.309(12) 1 d PDU A 2
H11A H 0.4621(12) 0.3696(7) 0.2598(6) 0.066 Uiso 0.309(12) 1 calc PRD A 2
H11B H 0.3527(5) 0.2905(8) 0.1804(5) 0.066 Uiso 0.309(12) 1 calc PRD A 2
H11C H 0.3189(3) 0.3600(7) 0.2767(6) 0.066 Uiso 0.309(12) 1 calc PRD A 2
N11 N 0.3606(7) 0.4251(5) 0.1921(6) 0.0523(12) Uani 0.309(12) 1 d PDU A 2
C101 C 0.4333(13) 0.4238(12) 0.1334(9) 0.062(5) Uani 0.309(12) 1 d PDU A 2
H10A H 0.4212 0.3673 0.0936 0.093 Uiso 0.309(12) 1 calc PR A 2
H10B H 0.5069 0.4404 0.1603 0.093 Uiso 0.309(12) 1 calc PR A 2
H10C H 0.4196 0.4628 0.1077 0.093 Uiso 0.309(12) 1 calc PR A 2
C102 C 0.3852(16) 0.5101(5) 0.2555(10) 0.084(5) Uani 0.309(12) 1 d PDU A 2
H10D H 0.4622 0.5305 0.2691 0.126 Uiso 0.309(12) 1 calc PR A 2
H10E H 0.3565 0.5071 0.3023 0.126 Uiso 0.309(12) 1 calc PR A 2
H10F H 0.3532 0.5484 0.2366 0.126 Uiso 0.309(12) 1 calc PR A 2
C103 C 0.2489(9) 0.4073(11) 0.1521(10) 0.066(4) Uani 0.309(12) 1 d PDU A 2
H10G H 0.2348 0.4565 0.1419 0.099 Uiso 0.309(12) 1 calc PR A 2
H10H H 0.2006 0.3939 0.1862 0.099 Uiso 0.309(12) 1 calc PR A 2
H10I H 0.2380 0.3598 0.1021 0.099 Uiso 0.309(12) 1 calc PR A 2
C4 C 0.7518(3) 0.2508(2) 0.1889(2) 0.0412(8) Uani 1 1 d . B .
H4A H 0.7563 0.2714 0.1450 0.049 Uiso 1 1 calc R . .
H4B H 0.8239 0.2652 0.2196 0.049 Uiso 1 1 calc R . .
C5 C 0.7152(3) 0.1559(2) 0.1545(2) 0.0437(8) Uani 1 1 d . . .
H5A H 0.7023 0.1356 0.1978 0.052 Uiso 1 1 calc R B .
H5B H 0.7723 0.1309 0.1296 0.052 Uiso 1 1 calc R . .
C6 C 0.6144(3) 0.1265(2) 0.0934(2) 0.0435(8) Uani 1 1 d . B .
H6A H 0.6035 0.0655 0.0650 0.052 Uiso 1 1 calc R . .
H6B H 0.6237 0.1536 0.0544 0.052 Uiso 1 1 calc R . .
C7 C 0.7199(3) 0.4144(2) 0.2706(2) 0.0405(8) Uani 1 1 d . B .
C8 C 0.7135(3) 0.4404(3) 0.2078(3) 0.0490(9) Uani 1 1 d . . .
H8 H 0.6860 0.4002 0.1565 0.059 Uiso 1 1 calc R B .
C9 C 0.7460(4) 0.5233(3) 0.2169(3) 0.0600(11) Uani 1 1 d . B .
H9 H 0.7410 0.5394 0.1723 0.072 Uiso 1 1 calc R . .
C10 C 0.7850(4) 0.5812(3) 0.2900(4) 0.0634(13) Uani 1 1 d . . .
H10 H 0.8053 0.6384 0.2969 0.076 Uiso 1 1 calc R B .
C11 C 0.7950(4) 0.5579(3) 0.3530(4) 0.0753(15) Uani 1 1 d . B .
H11 H 0.8245 0.5987 0.4036 0.090 Uiso 1 1 calc R . .
C12 C 0.7624(4) 0.4737(3) 0.3447(3) 0.0626(12) Uani 1 1 d . . .
H12 H 0.7695 0.4579 0.3894 0.075 Uiso 1 1 calc R B .
C13 C 0.6973(3) 0.2936(3) 0.34722(19) 0.0428(13) Uani 0.765(4) 1 d PGDU B 1
C14 C 0.6203(3) 0.3033(3) 0.3956(2) 0.0562(13) Uani 0.765(4) 1 d PGU B 1
H14 H 0.5582 0.3206 0.3813 0.067 Uiso 0.765(4) 1 calc PR B 1
C15 C 0.6339(4) 0.2876(3) 0.4650(2) 0.0700(16) Uani 0.765(4) 1 d PGU B 1
H15 H 0.5812 0.2942 0.4981 0.084 Uiso 0.765(4) 1 calc PR B 1
C16 C 0.7247(4) 0.2622(3) 0.4859(2) 0.0776(19) Uani 0.765(4) 1 d PGU B 1
H16 H 0.7340 0.2514 0.5334 0.093 Uiso 0.765(4) 1 calc PR B 1
C17 C 0.8017(4) 0.2525(3) 0.4375(3) 0.0758(19) Uani 0.765(4) 1 d PGU B 1
H17 H 0.8638 0.2352 0.4518 0.091 Uiso 0.765(4) 1 calc PR B 1
C18 C 0.7881(3) 0.2683(3) 0.3682(3) 0.0582(15) Uani 0.765(4) 1 d PGU B 1
H18 H 0.8408 0.2617 0.3351 0.070 Uiso 0.765(4) 1 calc PR B 1
C113 C 0.6883(13) 0.2770(11) 0.3395(7) 0.049(3) Uani 0.235(4) 1 d PGDU B 2
C114 C 0.6073(10) 0.2363(10) 0.3661(7) 0.057(3) Uani 0.235(4) 1 d PGU B 2
H114 H 0.5363 0.2241 0.3402 0.068 Uiso 0.235(4) 1 calc PR B 2
C115 C 0.6301(12) 0.2136(10) 0.4305(8) 0.072(3) Uani 0.235(4) 1 d PGU B 2
H115 H 0.5748 0.1858 0.4486 0.087 Uiso 0.235(4) 1 calc PR B 2
C116 C 0.7340(14) 0.2314(11) 0.4684(8) 0.072(3) Uani 0.235(4) 1 d PGU B 2
H116 H 0.7496 0.2159 0.5124 0.086 Uiso 0.235(4) 1 calc PR B 2
C117 C 0.8150(10) 0.2721(12) 0.4419(10) 0.074(3) Uani 0.235(4) 1 d PGU B 2
H117 H 0.8860 0.2843 0.4678 0.088 Uiso 0.235(4) 1 calc PR B 2
C118 C 0.7922(11) 0.2948(11) 0.3774(10) 0.058(3) Uani 0.235(4) 1 d PGU B 2
H118 H 0.8476 0.3226 0.3593 0.069 Uiso 0.235(4) 1 calc PR B 2
C19 C 0.3910(3) 0.1134(2) 0.0513(2) 0.0383(7) Uani 1 1 d . B .
C20 C 0.4084(4) 0.1312(3) -0.0141(3) 0.0621(12) Uani 1 1 d . . .
H20 H 0.4759 0.1609 -0.0158 0.075 Uiso 1 1 calc R B .
C21 C 0.3273(4) 0.1059(4) -0.0783(3) 0.0723(14) Uani 1 1 d . B .
H21 H 0.3407 0.1171 -0.1241 0.087 Uiso 1 1 calc R . .
C22 C 0.2296(4) 0.0655(3) -0.0766(3) 0.0607(12) Uani 1 1 d . . .
H22 H 0.1746 0.0491 -0.1204 0.073 Uiso 1 1 calc R B .
C23 C 0.2113(4) 0.0487(3) -0.0107(4) 0.0686(14) Uani 1 1 d . B .
H23 H 0.1430 0.0207 -0.0087 0.082 Uiso 1 1 calc R . .
C24 C 0.2916(3) 0.0721(3) 0.0530(3) 0.0596(11) Uani 1 1 d . . .
H24 H 0.2782 0.0595 0.0983 0.071 Uiso 1 1 calc R B .
C25 C 0.4741(3) 0.0731(2) 0.1861(2) 0.0390(12) Uani 0.765(4) 1 d PGDU B 1
C26 C 0.4952(4) 0.10025(18) 0.2678(2) 0.0593(14) Uani 0.765(4) 1 d PGU B 1
H26 H 0.5169 0.1582 0.2984 0.071 Uiso 0.765(4) 1 calc PR B 1
C27 C 0.4845(4) 0.0426(3) 0.30491(18) 0.0744(17) Uani 0.765(4) 1 d PGU B 1
H27 H 0.4989 0.0612 0.3608 0.089 Uiso 0.765(4) 1 calc PR B 1
C28 C 0.4528(4) -0.0422(2) 0.2602(3) 0.0654(15) Uani 0.765(4) 1 d PGU B 1
H28 H 0.4454 -0.0816 0.2855 0.078 Uiso 0.765(4) 1 calc PR B 1
C29 C 0.4317(4) -0.06936(17) 0.1784(2) 0.0627(16) Uani 0.765(4) 1 d PGU B 1
H29 H 0.4100 -0.1273 0.1479 0.075 Uiso 0.765(4) 1 calc PR B 1
C30 C 0.4424(4) -0.0117(2) 0.14135(17) 0.0515(13) Uani 0.765(4) 1 d PGU B 1
H30 H 0.4280 -0.0303 0.0855 0.062 Uiso 0.765(4) 1 calc PR B 1
C125 C 0.4544(11) 0.0695(7) 0.1736(8) 0.046(3) Uani 0.235(4) 1 d PGDU B 2
C126 C 0.3895(11) 0.0848(7) 0.2310(8) 0.055(3) Uani 0.235(4) 1 d PGU B 2
H126 H 0.3637 0.1351 0.2465 0.066 Uiso 0.235(4) 1 calc PR B 2
C127 C 0.3622(11) 0.0267(8) 0.2658(8) 0.067(3) Uani 0.235(4) 1 d PGU B 2
H127 H 0.3178 0.0371 0.3051 0.081 Uiso 0.235(4) 1 calc PR B 2
C128 C 0.3998(13) -0.0468(8) 0.2432(9) 0.065(3) Uani 0.235(4) 1 d PGU B 2
H128 H 0.3812 -0.0866 0.2670 0.079 Uiso 0.235(4) 1 calc PR B 2
C129 C 0.4648(13) -0.0621(7) 0.1858(9) 0.061(3) Uani 0.235(4) 1 d PGU B 2
H129 H 0.4905 -0.1123 0.1704 0.073 Uiso 0.235(4) 1 calc PR B 2
C130 C 0.4921(11) -0.0039(9) 0.1510(8) 0.047(3) Uani 0.235(4) 1 d PGU B 2
H130 H 0.5364 -0.0144 0.1118 0.056 Uiso 0.235(4) 1 calc PR B 2
B200 B 0.8560(3) 0.2929(2) 0.7528(2) 0.0284(7) Uani 1 1 d . . .
C201 C 0.9053(2) 0.38700(19) 0.75693(19) 0.0282(6) Uani 1 1 d . . .
C202 C 0.9495(2) 0.4515(2) 0.8292(2) 0.0311(6) Uani 1 1 d . . .
H202 H 0.9503 0.4399 0.8763 0.037 Uiso 1 1 calc R . .
C203 C 0.9923(2) 0.5321(2) 0.8342(2) 0.0369(7) Uani 1 1 d D C .
C204 C 0.9909(3) 0.5520(2) 0.7670(2) 0.0401(8) Uani 1 1 d . . .
H204 H 1.0209 0.6068 0.7702 0.048 Uiso 1 1 calc R . .
C205 C 0.9449(3) 0.4906(2) 0.6959(2) 0.0393(8) Uani 1 1 d . . .
C206 C 0.9022(2) 0.4099(2) 0.6905(2) 0.0337(7) Uani 1 1 d . . .
H206 H 0.8701 0.3692 0.6404 0.040 Uiso 1 1 calc R . .
C207 C 1.0405(3) 0.5963(2) 0.9131(2) 0.0504(10) Uani 1 1 d D . .
F1 F 1.1344(3) 0.5885(4) 0.9378(3) 0.123(3) Uani 0.829(9) 1 d PDU C 1
F2 F 0.9834(3) 0.5956(3) 0.96835(18) 0.0657(13) Uani 0.829(9) 1 d PDU C 1
F3 F 1.0513(6) 0.6734(2) 0.9131(3) 0.106(2) Uani 0.829(9) 1 d PDU C 1
F101 F 0.9721(10) 0.6363(12) 0.9506(9) 0.091(7) Uani 0.171(9) 1 d PDU C 2
F102 F 1.1184(13) 0.6541(9) 0.9136(7) 0.063(5) Uani 0.171(9) 1 d PDU C 2
F103 F 1.0813(18) 0.5639(7) 0.9626(7) 0.076(6) Uani 0.171(9) 1 d PDU C 2
C208 C 0.9372(4) 0.5097(3) 0.6220(3) 0.0567(11) Uani 1 1 d . . .
F4 F 0.9993(3) 0.5807(2) 0.6297(2) 0.0961(11) Uani 1 1 d U . .
F5 F 0.8395(3) 0.5125(3) 0.5971(3) 0.1179(16) Uani 1 1 d U . .
F6 F 0.9643(4) 0.4520(2) 0.56235(19) 0.0989(12) Uani 1 1 d U . .
C209 C 0.7352(2) 0.29487(19) 0.77233(19) 0.0296(6) Uani 1 1 d . . .
C210 C 0.7134(2) 0.3195(2) 0.8495(2) 0.0342(7) Uani 1 1 d . . .
H210 H 0.7698 0.3330 0.8918 0.041 Uiso 1 1 calc R . .
C211 C 0.6116(2) 0.3250(2) 0.8663(2) 0.0400(8) Uani 1 1 d D D .
C212 C 0.5275(3) 0.3060(3) 0.8063(2) 0.0452(9) Uani 1 1 d . . .
H212 H 0.4578 0.3084 0.8174 0.054 Uiso 1 1 calc R . .
C213 C 0.5475(3) 0.2833(2) 0.7292(2) 0.0412(8) Uani 1 1 d D E .
C214 C 0.6491(3) 0.2787(2) 0.7131(2) 0.0346(7) Uani 1 1 d . . .
H214 H 0.6608 0.2641 0.6600 0.042 Uiso 1 1 calc R . .
C215 C 0.5940(3) 0.3519(3) 0.9496(3) 0.0589(12) Uani 1 1 d D . .
F7 F 0.6410(7) 0.4284(3) 0.9934(3) 0.079(2) Uani 0.675(15) 1 d PDU D 1
F8 F 0.6375(6) 0.3049(3) 0.9876(2) 0.0712(18) Uani 0.675(15) 1 d PDU D 1
F9 F 0.4947(3) 0.3360(7) 0.9590(3) 0.099(3) Uani 0.675(15) 1 d PDU D 1
F107 F 0.5760(18) 0.2952(6) 0.9789(7) 0.112(5) Uani 0.325(15) 1 d PDU D 2
F108 F 0.5087(9) 0.3903(11) 0.9568(5) 0.085(4) Uani 0.325(15) 1 d PDU D 2
F109 F 0.6713(8) 0.4140(8) 0.9982(6) 0.071(4) Uani 0.325(15) 1 d PDU D 2
C216 C 0.4589(3) 0.2643(3) 0.6632(3) 0.0639(13) Uani 1 1 d D . .
F10 F 0.3664(3) 0.2639(7) 0.6825(4) 0.088(2) Uani 0.629(13) 1 d PDU E 1
F11 F 0.4741(6) 0.3157(6) 0.6246(5) 0.109(3) Uani 0.629(13) 1 d PDU E 1
F12 F 0.4536(7) 0.1892(5) 0.6073(5) 0.116(3) Uani 0.629(13) 1 d PDU E 1
F110 F 0.4778(7) 0.2295(11) 0.5934(3) 0.086(4) Uani 0.371(13) 1 d PDU E 2
F111 F 0.3735(7) 0.2155(10) 0.6701(6) 0.096(4) Uani 0.371(13) 1 d PDU E 2
F112 F 0.4258(13) 0.3333(6) 0.6653(10) 0.132(6) Uani 0.371(13) 1 d PDU E 2
C217 C 0.9286(2) 0.26783(19) 0.81622(18) 0.0286(6) Uani 1 1 d . . .
C218 C 1.0382(2) 0.2983(2) 0.83636(19) 0.0306(6) Uani 1 1 d . . .
H218 H 1.0703 0.3380 0.8160 0.037 Uiso 1 1 calc R . .
C219 C 1.1014(3) 0.2728(2) 0.8847(2) 0.0354(7) Uani 1 1 d . . .
C220 C 1.0593(3) 0.2153(2) 0.9159(2) 0.0388(7) Uani 1 1 d . . .
H220 H 1.1029 0.1981 0.9495 0.047 Uiso 1 1 calc R . .
C221 C 0.9514(3) 0.1835(2) 0.8964(2) 0.0417(8) Uani 1 1 d D F .
C222 C 0.8878(3) 0.2091(2) 0.8479(2) 0.0358(7) Uani 1 1 d . . .
H222 H 0.8139 0.1859 0.8357 0.043 Uiso 1 1 calc R . .
C223 C 1.2174(3) 0.3103(3) 0.9029(3) 0.0509(10) Uani 1 1 d . . .
F13 F 1.2374(2) 0.39228(17) 0.94489(18) 0.0695(8) Uani 1 1 d U . .
F14 F 1.26217(19) 0.3037(2) 0.8394(2) 0.0789(9) Uani 1 1 d U . .
F15 F 1.2722(2) 0.2769(2) 0.9456(2) 0.0895(11) Uani 1 1 d U . .
C224 C 0.9023(3) 0.1210(3) 0.9280(3) 0.0632(13) Uani 1 1 d D . .
F16 F 0.9674(5) 0.0812(7) 0.9511(8) 0.096(3) Uani 0.527(14) 1 d PDU F 1
F17 F 0.8363(7) 0.0542(4) 0.8653(4) 0.085(3) Uani 0.527(14) 1 d PDU F 1
F18 F 0.8378(7) 0.1448(5) 0.9766(5) 0.077(3) Uani 0.527(14) 1 d PDU F 1
F116 F 0.8108(6) 0.1353(7) 0.9519(6) 0.071(3) Uani 0.473(14) 1 d PDU F 2
F117 F 0.9614(6) 0.1310(7) 0.9994(5) 0.080(3) Uani 0.473(14) 1 d PDU F 2
F118 F 0.8908(12) 0.0446(3) 0.8855(6) 0.109(4) Uani 0.473(14) 1 d PDU F 2
C225 C 0.8592(2) 0.2211(2) 0.66788(18) 0.0299(6) Uani 1 1 d . . .
C226 C 0.9476(3) 0.2264(2) 0.62960(19) 0.0337(7) Uani 1 1 d . . .
H226 H 1.0022 0.2753 0.6510 0.040 Uiso 1 1 calc R . .
C227 C 0.9582(3) 0.1628(2) 0.56171(19) 0.0375(7) Uani 1 1 d D G .
C228 C 0.8794(3) 0.0907(2) 0.5276(2) 0.0416(8) Uani 1 1 d . G .
H228 H 0.8856 0.0475 0.4805 0.050 Uiso 1 1 calc R . .
C229 C 0.7930(3) 0.0839(2) 0.5638(2) 0.0436(8) Uani 1 1 d D . .
C230 C 0.7833(3) 0.1469(2) 0.6333(2) 0.0365(7) Uani 1 1 d . H .
H230 H 0.7231 0.1390 0.6578 0.044 Uiso 1 1 calc R . .
C231 C 1.0545(3) 0.1741(2) 0.5241(2) 0.0509(10) Uani 1 1 d D . .
F19 F 1.1433(4) 0.1978(8) 0.5765(4) 0.071(3) Uani 0.58(2) 1 d PDU G 1
F20 F 1.0588(7) 0.2395(7) 0.4997(8) 0.084(3) Uani 0.58(2) 1 d PDU G 1
F21 F 1.0634(7) 0.1108(6) 0.4648(5) 0.088(3) Uani 0.58(2) 1 d PDU G 1
F119 F 1.0349(8) 0.1970(13) 0.4630(8) 0.088(4) Uani 0.42(2) 1 d PDU G 2
F120 F 1.0813(9) 0.0995(5) 0.4909(9) 0.081(4) Uani 0.42(2) 1 d PDU G 2
F121 F 1.1376(6) 0.2245(8) 0.5704(6) 0.070(4) Uani 0.42(2) 1 d PDU G 2
C232 C 0.7078(6) 0.0049(4) 0.5330(4) 0.0656(15) Uani 0.543(8) 1 d PDU H 1
F22 F 0.7123(7) -0.0409(5) 0.4599(4) 0.108(4) Uani 0.543(8) 1 d PDU H 1
F23 F 0.7159(6) -0.0417(4) 0.5752(4) 0.100(3) Uani 0.543(8) 1 d PDU H 1
F24 F 0.6140(4) 0.0220(4) 0.5352(6) 0.094(3) Uani 0.543(8) 1 d PDU H 1
C332 C 0.7007(6) 0.0104(5) 0.5220(5) 0.0656(15) Uani 0.457(8) 1 d PDU H 2
F122 F 0.6386(7) -0.0048(6) 0.5699(4) 0.102(4) Uani 0.457(8) 1 d PDU H 2
F123 F 0.6388(6) 0.0183(5) 0.4652(5) 0.092(3) Uani 0.457(8) 1 d PDU H 2
F124 F 0.7336(7) -0.0595(4) 0.4883(6) 0.087(3) Uani 0.457(8) 1 d PDU H 2
C801 C 0.9714(3) 1.0024(2) 0.2899(2) 0.0912(19) Uani 1 1 d GD . .
H801 H 1.0421 1.0252 0.2874 0.109 Uiso 0.45 1 calc PR I 2
C802 C 0.8935(3) 1.04868(18) 0.2914(2) 0.0816(16) Uani 1 1 d GD . .
H802 H 0.9109 1.1031 0.2900 0.098 Uiso 0.18 1 calc PR J 2
C803 C 0.7900(3) 1.0153(2) 0.2951(2) 0.0848(17) Uani 1 1 d GD . .
H803 H 0.7368 1.0469 0.2961 0.102 Uiso 0.55 1 calc PR K 1
C804 C 0.7645(3) 0.9356(2) 0.2972(2) 0.0872(18) Uani 1 1 d GD . .
H804 H 0.6938 0.9128 0.2997 0.105 Uiso 0.82 1 calc PR L 1
C805 C 0.8425(4) 0.88935(18) 0.2957(2) 0.095(2) Uani 1 1 d GD . .
H805 H 0.8250 0.8349 0.2971 0.114 Uiso 1 1 calc R . .
C806 C 0.9459(3) 0.9227(2) 0.2920(2) 0.090(2) Uani 1 1 d GD . .
H806 H 0.9992 0.8911 0.2909 0.108 Uiso 1 1 calc R . .
F801 F 1.0655(5) 1.0300(4) 0.2854(4) 0.1285(14) Uani 0.55 1 d PDU M 1
F802 F 0.9172(4) 1.1217(3) 0.2874(3) 0.1285(14) Uani 0.82 1 d PDU N 1
F803 F 0.7187(6) 1.0569(5) 0.2965(4) 0.1285(14) Uani 0.45 1 d PDU O 2
F804 F 0.6694(7) 0.9023(11) 0.2994(5) 0.1285(14) Uani 0.18 1 d PDU P 2
C901 C 0.605(2) 0.5199(11) 0.5071(12) 0.086(3) Uani 0.25 1 d PGDU Q -1
C902 C 0.561(2) 0.4776(11) 0.5524(12) 0.078(3) Uani 0.25 1 d PGDU Q -1
C903 C 0.451(2) 0.4526(15) 0.5428(15) 0.085(3) Uani 0.25 1 d PGDU Q -1
H903 H 0.4210 0.4238 0.5738 0.102 Uiso 0.25 1 calc PR Q -1
C904 C 0.387(2) 0.4699(18) 0.4881(17) 0.086(3) Uani 0.25 1 d PGU Q -1
H904 H 0.3119 0.4528 0.4816 0.103 Uiso 0.25 1 calc PR Q -1
C905 C 0.431(2) 0.5121(17) 0.4429(16) 0.078(3) Uani 0.25 1 d PGU Q -1
H905 H 0.3870 0.5238 0.4055 0.094 Uiso 0.25 1 calc PR Q -1
C906 C 0.541(2) 0.5371(14) 0.4524(14) 0.085(3) Uani 0.25 1 d PGDU Q -1
H906 H 0.5711 0.5659 0.4215 0.102 Uiso 0.25 1 calc PR Q -1
F901 F 0.7079(14) 0.5438(11) 0.5160(10) 0.122(4) Uani 0.25 1 d PDU Q -1
F902 F 0.6222(13) 0.4613(11) 0.6035(11) 0.122(4) Uani 0.25 1 d PDU Q -1
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'
N N 0.0061 0.0033 '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'
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
P2 Rh1 P1 91.14(3) . . ?
C13 P1 C4 106.07(19) . . ?
C13 P1 C7 104.96(19) . . ?
C4 P1 C7 102.48(17) . . ?
C13 P1 C113 8.6(6) . . ?
C4 P1 C113 102.8(6) . . ?
C7 P1 C113 113.6(6) . . ?
C13 P1 Rh1 114.40(14) . . ?
C4 P1 Rh1 119.67(13) . . ?
C7 P1 Rh1 107.71(12) . . ?
C113 P1 Rh1 110.6(5) . . ?
C125 P2 C19 97.0(5) . . ?
C125 P2 C6 106.0(4) . . ?
C19 P2 C6 103.73(18) . . ?
C125 P2 C25 9.5(5) . . ?
C19 P2 C25 106.24(17) . . ?
C6 P2 C25 101.51(19) . . ?
C125 P2 Rh1 119.0(4) . . ?
C19 P2 Rh1 108.92(11) . . ?
C6 P2 Rh1 119.01(12) . . ?
C25 P2 Rh1 116.09(12) . . ?
C1 N1 C3 109.3(5) . . ?
C1 N1 C2 109.5(5) . . ?
C3 N1 C2 108.6(5) . . ?
C1 N1 B1 111.7(4) . . ?
C3 N1 B1 109.2(4) . . ?
C2 N1 B1 108.5(4) . . ?
C101 N11 C103 109.2(7) . . ?
C101 N11 C102 108.9(7) . . ?
C103 N11 C102 109.0(7) . . ?
N11 C101 H10A 109.5 . . ?
N11 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
N11 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
N11 C102 H10D 109.5 . . ?
N11 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
N11 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
N11 C103 H10G 109.5 . . ?
N11 C103 H10H 109.5 . . ?
H10G C103 H10H 109.5 . . ?
N11 C103 H10I 109.5 . . ?
H10G C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C5 C4 P1 114.1(2) . . ?
C5 C4 H4A 108.7 . . ?
P1 C4 H4A 108.7 . . ?
C5 C4 H4B 108.7 . . ?
P1 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C4 C5 C6 112.8(3) . . ?
C4 C5 H5A 109.0 . . ?
C6 C5 H5A 109.0 . . ?
C4 C5 H5B 109.0 . . ?
C6 C5 H5B 109.0 . . ?
H5A C5 H5B 107.8 . . ?
C5 C6 P2 113.2(3) . . ?
C5 C6 H6A 108.9 . . ?
P2 C6 H6A 108.9 . . ?
C5 C6 H6B 108.9 . . ?
P2 C6 H6B 108.9 . . ?
H6A C6 H6B 107.8 . . ?
C8 C7 C12 118.1(4) . . ?
C8 C7 P1 118.2(3) . . ?
C12 C7 P1 123.7(3) . . ?
C7 C8 C9 122.1(4) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
C10 C9 C8 119.4(5) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 120.3(4) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 121.0(5) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C7 C12 C11 119.1(5) . . ?
C7 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P1 116.5(2) . . ?
C18 C13 P1 123.2(2) . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C114 C113 C118 120.0 . . ?
C114 C113 P1 122.6(9) . . ?
C118 C113 P1 117.4(9) . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C115 C116 H116 120.0 . . ?
C116 C117 C118 120.0 . . ?
C116 C117 H117 120.0 . . ?
C118 C117 H117 120.0 . . ?
C117 C118 C113 120.0 . . ?
C117 C118 H118 120.0 . . ?
C113 C118 H118 120.0 . . ?
C20 C19 C24 118.8(4) . . ?
C20 C19 P2 119.9(3) . . ?
C24 C19 P2 121.2(3) . . ?
C19 C20 C21 120.0(5) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 121.3(5) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 118.9(4) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C22 C23 C24 120.5(5) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 120.5(5) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 P2 119.7(2) . . ?
C30 C25 P2 120.2(2) . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
C126 C125 C130 120.0 . . ?
C126 C125 P2 118.2(7) . . ?
C130 C125 P2 121.6(7) . . ?
C125 C126 C127 120.0 . . ?
C125 C126 H126 120.0 . . ?
C127 C126 H126 120.0 . . ?
C128 C127 C126 120.0 . . ?
C128 C127 H127 120.0 . . ?
C126 C127 H127 120.0 . . ?
C127 C128 C129 120.0 . . ?
C127 C128 H128 120.0 . . ?
C129 C128 H128 120.0 . . ?
C130 C129 C128 120.0 . . ?
C130 C129 H129 120.0 . . ?
C128 C129 H129 120.0 . . ?
C129 C130 C125 120.0 . . ?
C129 C130 H130 120.0 . . ?
C125 C130 H130 120.0 . . ?
C201 B200 C225 112.5(3) . . ?
C201 B200 C209 105.4(2) . . ?
C225 B200 C209 112.8(2) . . ?
C201 B200 C217 110.9(2) . . ?
C225 B200 C217 103.3(2) . . ?
C209 B200 C217 112.1(3) . . ?
C202 C201 C206 115.7(3) . . ?
C202 C201 B200 121.0(3) . . ?
C206 C201 B200 123.3(3) . . ?
C203 C202 C201 122.1(3) . . ?
C203 C202 H202 119.0 . . ?
C201 C202 H202 119.0 . . ?
C204 C203 C202 120.7(3) . . ?
C204 C203 C207 120.7(3) . . ?
C202 C203 C207 118.6(3) . . ?
C205 C204 C203 118.2(3) . . ?
C205 C204 H204 120.9 . . ?
C203 C204 H204 120.9 . . ?
C204 C205 C206 121.4(3) . . ?
C204 C205 C208 120.3(3) . . ?
C206 C205 C208 118.2(4) . . ?
C205 C206 C201 121.9(3) . . ?
C205 C206 H206 119.1 . . ?
C201 C206 H206 119.1 . . ?
F102 C207 F1 65.0(8) . . ?
F102 C207 F2 129.0(7) . . ?
F1 C207 F2 106.7(4) . . ?
F102 C207 F101 105.6(7) . . ?
F1 C207 F101 131.7(8) . . ?
F2 C207 F101 40.3(11) . . ?
F102 C207 F3 43.9(9) . . ?
F1 C207 F3 106.6(4) . . ?
F2 C207 F3 104.6(4) . . ?
F101 C207 F3 67.5(10) . . ?
F102 C207 F103 104.0(6) . . ?
F1 C207 F103 43.6(9) . . ?
F2 C207 F103 67.2(10) . . ?
F101 C207 F103 104.1(7) . . ?
F3 C207 F103 133.5(6) . . ?
F102 C207 C203 115.8(6) . . ?
F1 C207 C203 112.8(3) . . ?
F2 C207 C203 113.5(3) . . ?
F101 C207 C203 113.3(6) . . ?
F3 C207 C203 112.1(4) . . ?
F103 C207 C203 112.9(6) . . ?
F4 C208 F5 107.8(4) . . ?
F4 C208 F6 105.4(4) . . ?
F5 C208 F6 105.4(5) . . ?
F4 C208 C205 113.3(4) . . ?
F5 C208 C205 111.9(4) . . ?
F6 C208 C205 112.5(4) . . ?
C210 C209 C214 115.9(3) . . ?
C210 C209 B200 122.1(3) . . ?
C214 C209 B200 121.8(3) . . ?
C211 C210 C209 122.2(3) . . ?
C211 C210 H210 118.9 . . ?
C209 C210 H210 118.9 . . ?
C212 C211 C210 120.6(3) . . ?
C212 C211 C215 120.0(3) . . ?
C210 C211 C215 119.4(3) . . ?
C211 C212 C213 118.4(3) . . ?
C211 C212 H212 120.8 . . ?
C213 C212 H212 120.8 . . ?
C214 C213 C212 120.6(3) . . ?
C214 C213 C216 119.7(3) . . ?
C212 C213 C216 119.7(3) . . ?
C213 C214 C209 122.4(3) . . ?
C213 C214 H214 118.8 . . ?
C209 C214 H214 118.8 . . ?
F107 C215 F7 121.5(8) . . ?
F107 C215 F9 68.1(7) . . ?
F7 C215 F9 111.4(5) . . ?
F107 C215 F109 108.9(6) . . ?
F7 C215 F109 22.5(7) . . ?
F9 C215 F109 126.9(6) . . ?
F107 C215 F108 106.8(6) . . ?
F7 C215 F108 79.4(6) . . ?
F9 C215 F108 41.3(5) . . ?
F109 C215 F108 101.1(6) . . ?
F107 C215 F8 33.5(8) . . ?
F7 C215 F8 103.0(4) . . ?
F9 C215 F8 100.7(4) . . ?
F109 C215 F8 83.5(7) . . ?
F108 C215 F8 134.7(6) . . ?
F107 C215 C211 117.1(6) . . ?
F7 C215 C211 114.7(4) . . ?
F9 C215 C211 114.9(4) . . ?
F109 C215 C211 112.6(5) . . ?
F108 C215 C211 109.0(5) . . ?
F8 C215 C211 110.5(3) . . ?
F110 C216 F10 125.1(6) . . ?
F110 C216 F11 66.4(6) . . ?
F10 C216 F11 107.6(5) . . ?
F110 C216 F111 106.3(6) . . ?
F10 C216 F111 36.6(6) . . ?
F11 C216 F111 133.3(7) . . ?
F110 C216 F112 106.8(6) . . ?
F10 C216 F112 68.3(7) . . ?
F11 C216 F112 45.1(7) . . ?
F111 C216 F112 103.6(6) . . ?
F110 C216 F12 37.8(6) . . ?
F10 C216 F12 106.4(5) . . ?
F11 C216 F12 103.1(5) . . ?
F111 C216 F12 74.8(6) . . ?
F112 C216 F12 135.0(7) . . ?
F110 C216 C213 116.6(4) . . ?
F10 C216 C213 115.6(4) . . ?
F11 C216 C213 112.3(4) . . ?
F111 C216 C213 111.6(5) . . ?
F112 C216 C213 111.0(5) . . ?
F12 C216 C213 111.0(4) . . ?
C222 C217 C218 115.3(3) . . ?
C222 C217 B200 122.8(3) . . ?
C218 C217 B200 121.7(3) . . ?
C219 C218 C217 122.3(3) . . ?
C219 C218 H218 118.8 . . ?
C217 C218 H218 118.8 . . ?
C220 C219 C218 121.5(3) . . ?
C220 C219 C223 120.9(3) . . ?
C218 C219 C223 117.6(3) . . ?
C219 C220 C221 117.4(3) . . ?
C219 C220 H220 121.3 . . ?
C221 C220 H220 121.3 . . ?
C220 C221 C222 121.2(3) . . ?
C220 C221 C224 119.6(3) . . ?
C222 C221 C224 119.2(3) . . ?
C221 C222 C217 122.3(3) . . ?
C221 C222 H222 118.9 . . ?
C217 C222 H222 118.9 . . ?
F14 C223 F13 104.7(3) . . ?
F14 C223 F15 107.1(4) . . ?
F13 C223 F15 105.9(4) . . ?
F14 C223 C219 113.8(3) . . ?
F13 C223 C219 112.0(3) . . ?
F15 C223 C219 112.6(3) . . ?
F118 C224 F18 120.3(7) . . ?
F118 C224 F16 64.3(5) . . ?
F18 C224 F16 113.1(5) . . ?
F118 C224 F116 109.4(6) . . ?
F18 C224 F116 22.0(6) . . ?
F16 C224 F116 128.3(6) . . ?
F118 C224 F117 105.5(5) . . ?
F18 C224 F117 78.4(6) . . ?
F16 C224 F117 44.5(4) . . ?
F116 C224 F117 99.8(5) . . ?
F118 C224 F17 35.9(5) . . ?
F18 C224 F17 102.4(5) . . ?
F16 C224 F17 99.8(5) . . ?
F116 C224 F17 83.5(6) . . ?
F117 C224 F17 136.0(5) . . ?
F118 C224 C221 117.5(5) . . ?
F18 C224 C221 115.9(5) . . ?
F16 C224 C221 115.0(4) . . ?
F116 C224 C221 112.5(5) . . ?
F117 C224 C221 110.5(4) . . ?
F17 C224 C221 108.3(4) . . ?
C230 C225 C226 115.3(3) . . ?
C230 C225 B200 123.6(3) . . ?
C226 C225 B200 120.7(3) . . ?
C227 C226 C225 122.4(3) . . ?
C227 C226 H226 118.8 . . ?
C225 C226 H226 118.8 . . ?
C226 C227 C228 120.7(3) . . ?
C226 C227 C231 118.9(3) . . ?
C228 C227 C231 120.3(3) . . ?
C229 C228 C227 117.9(3) . . ?
C229 C228 H228 121.0 . . ?
C227 C228 H228 121.0 . . ?
C228 C229 C230 121.5(3) . . ?
C228 C229 C232 120.7(4) . . ?
C230 C229 C232 117.7(4) . . ?
C228 C229 C332 118.3(4) . . ?
C230 C229 C332 119.9(4) . . ?
C232 C229 C332 10.0(5) . . ?
C225 C230 C229 122.1(3) . . ?
C225 C230 H230 119.0 . . ?
C229 C230 H230 119.0 . . ?
F21 C231 F121 120.4(7) . . ?
F21 C231 F119 76.5(6) . . ?
F121 C231 F119 108.8(6) . . ?
F21 C231 F19 108.3(5) . . ?
F121 C231 F19 23.2(7) . . ?
F119 C231 F19 127.8(7) . . ?
F21 C231 F120 26.8(6) . . ?
F121 C231 F120 106.9(5) . . ?
F119 C231 F120 102.9(5) . . ?
F19 C231 F120 88.4(7) . . ?
F21 C231 F20 107.2(5) . . ?
F121 C231 F20 79.5(6) . . ?
F119 C231 F20 34.7(5) . . ?
F19 C231 F20 102.1(5) . . ?
F120 C231 F20 130.5(6) . . ?
F21 C231 C227 115.9(5) . . ?
F121 C231 C227 115.9(5) . . ?
F119 C231 C227 111.9(4) . . ?
F19 C231 C227 111.5(4) . . ?
F120 C231 C227 109.5(5) . . ?
F20 C231 C227 110.8(4) . . ?
F24 C232 F23 106.6(6) . . ?
F24 C232 F22 108.1(6) . . ?
F23 C232 F22 107.2(6) . . ?
F24 C232 C229 111.1(5) . . ?
F23 C232 C229 111.9(5) . . ?
F22 C232 C229 111.7(6) . . ?
F122 C332 F123 105.8(7) . . ?
F122 C332 F124 105.9(7) . . ?
F123 C332 F124 105.0(6) . . ?
F122 C332 C229 112.8(6) . . ?
F123 C332 C229 114.8(6) . . ?
F124 C332 C229 111.7(6) . . ?
C802 C801 C806 120.0 . . ?
C802 C801 H801 120.0 . . ?
C806 C801 H801 120.0 . . ?
C803 C802 C801 120.0 . . ?
C803 C802 H802 120.0 . . ?
C801 C802 H802 120.0 . . ?
C804 C803 C802 120.0 . . ?
C804 C803 H803 120.0 . . ?
C802 C803 H803 120.0 . . ?
C803 C804 C805 120.0 . . ?
C803 C804 H804 120.0 . . ?
C805 C804 H804 120.0 . . ?
C806 C805 C804 120.0 . . ?
C806 C805 H805 120.0 . . ?
C804 C805 H805 120.0 . . ?
C805 C806 C801 120.0 . . ?
C805 C806 H806 120.0 . . ?
C801 C806 H806 120.0 . . ?
F901 C901 C902 120.3(5) . . ?
F901 C901 C906 119.7(5) . . ?
C902 C901 C906 120.0 . . ?
F902 C902 C903 120.3(5) . . ?
F902 C902 C901 119.7(5) . . ?
C903 C902 C901 120.0 . . ?
C904 C903 C902 120.0 . . ?
C904 C903 H903 120.0 . . ?
C902 C903 H903 120.0 . . ?
C903 C904 C905 120.0 . . ?
C903 C904 H904 120.0 . . ?
C905 C904 H904 120.0 . . ?
C904 C905 C906 120.0 . . ?
C904 C905 H905 120.0 . . ?
C906 C905 H905 120.0 . . ?
C905 C906 C901 120.0 . . ?
C905 C906 H906 120.0 . . ?
C901 C906 H906 120.0 . . ?
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 P2 2.1986(9) . ?
Rh1 P1 2.1998(9) . ?
P1 C13 1.826(3) . ?
P1 C4 1.826(4) . ?
P1 C7 1.829(4) . ?
P1 C113 1.830(8) . ?
P2 C125 1.784(7) . ?
P2 C19 1.827(4) . ?
P2 C6 1.833(4) . ?
P2 C25 1.857(3) . ?
B1 N1 1.592(7) . ?
B1 H1A 1.1649 . ?
B1 H1B 1.1649 . ?
B1 H1C 1.1649 . ?
N1 C1 1.488(6) . ?
N1 C3 1.494(6) . ?
N1 C2 1.499(7) . ?
C1 H1D 0.9800 . ?
C1 H1E 0.9800 . ?
C1 H1F 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
N11 C101 1.491(8) . ?
N11 C103 1.493(8) . ?
N11 C102 1.495(8) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 H10G 0.9800 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C4 C5 1.528(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.528(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.374(6) . ?
C7 C12 1.385(6) . ?
C8 C9 1.386(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.358(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.351(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.411(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 C17 1.3900 . ?
C16 H16 0.9500 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C113 C114 1.3900 . ?
C113 C118 1.3900 . ?
C114 C115 1.3900 . ?
C114 H114 0.9500 . ?
C115 C116 1.3900 . ?
C115 H115 0.9500 . ?
C116 C117 1.3900 . ?
C116 H116 0.9500 . ?
C117 C118 1.3900 . ?
C117 H117 0.9500 . ?
C118 H118 0.9500 . ?
C19 C20 1.366(6) . ?
C19 C24 1.379(6) . ?
C20 C21 1.394(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.354(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.367(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 C28 1.3900 . ?
C27 H27 0.9500 . ?
C28 C29 1.3900 . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C125 C126 1.3900 . ?
C125 C130 1.3900 . ?
C126 C127 1.3900 . ?
C126 H126 0.9500 . ?
C127 C128 1.3900 . ?
C127 H127 0.9500 . ?
C128 C129 1.3900 . ?
C128 H128 0.9500 . ?
C129 C130 1.3900 . ?
C129 H129 0.9500 . ?
C130 H130 0.9500 . ?
B200 C201 1.635(5) . ?
B200 C225 1.636(5) . ?
B200 C209 1.643(4) . ?
B200 C217 1.644(5) . ?
C201 C202 1.402(4) . ?
C201 C206 1.404(5) . ?
C202 C203 1.394(5) . ?
C202 H202 0.9500 . ?
C203 C204 1.387(5) . ?
C203 C207 1.490(5) . ?
C204 C205 1.372(5) . ?
C204 H204 0.9500 . ?
C205 C206 1.391(5) . ?
C205 C208 1.501(6) . ?
C206 H206 0.9500 . ?
C207 F102 1.302(7) . ?
C207 F1 1.304(5) . ?
C207 F2 1.311(5) . ?
C207 F101 1.317(7) . ?
C207 F3 1.329(5) . ?
C207 F103 1.335(7) . ?
C208 F4 1.317(5) . ?
C208 F5 1.320(6) . ?
C208 F6 1.326(6) . ?
C209 C210 1.398(5) . ?
C209 C214 1.400(5) . ?
C210 C211 1.394(4) . ?
C210 H210 0.9500 . ?
C211 C212 1.384(5) . ?
C211 C215 1.485(5) . ?
C212 C213 1.390(5) . ?
C212 H212 0.9500 . ?
C213 C214 1.386(5) . ?
C213 C216 1.493(6) . ?
C214 H214 0.9500 . ?
C215 F107 1.278(7) . ?
C215 F7 1.304(6) . ?
C215 F9 1.313(5) . ?
C215 F109 1.336(7) . ?
C215 F108 1.379(6) . ?
C215 F8 1.395(5) . ?
C216 F110 1.278(6) . ?
C216 F10 1.282(5) . ?
C216 F11 1.322(6) . ?
C216 F111 1.327(6) . ?
C216 F112 1.333(7) . ?
C216 F12 1.342(6) . ?
C217 C222 1.398(5) . ?
C217 C218 1.400(4) . ?
C218 C219 1.383(5) . ?
C218 H218 0.9500 . ?
C219 C220 1.379(5) . ?
C219 C223 1.496(5) . ?
C220 C221 1.382(5) . ?
C220 H220 0.9500 . ?
C221 C222 1.388(5) . ?
C221 C224 1.485(5) . ?
C222 H222 0.9500 . ?
C223 F14 1.326(6) . ?
C223 F13 1.337(5) . ?
C223 F15 1.343(5) . ?
C224 F118 1.267(6) . ?
C224 F18 1.289(6) . ?
C224 F16 1.305(5) . ?
C224 F116 1.334(6) . ?
C224 F117 1.392(6) . ?
C224 F17 1.407(6) . ?
C225 C230 1.395(5) . ?
C225 C226 1.405(4) . ?
C226 C227 1.387(5) . ?
C226 H226 0.9500 . ?
C227 C228 1.391(5) . ?
C227 C231 1.499(5) . ?
C228 C229 1.364(5) . ?
C228 H228 0.9500 . ?
C229 C230 1.399(5) . ?
C229 C232 1.513(7) . ?
C229 C332 1.521(8) . ?
C230 H230 0.9500 . ?
C231 F21 1.285(6) . ?
C231 F121 1.288(6) . ?
C231 F119 1.327(6) . ?
C231 F19 1.335(6) . ?
C231 F120 1.353(6) . ?
C231 F20 1.356(6) . ?
C232 F24 1.301(7) . ?
C232 F23 1.310(7) . ?
C232 F22 1.313(7) . ?
C332 F122 1.308(7) . ?
C332 F123 1.314(7) . ?
C332 F124 1.323(7) . ?
C801 C802 1.3900 . ?
C801 C806 1.3900 . ?
C801 H801 0.9500 . ?
C802 C803 1.3900 . ?
C802 H802 0.9500 . ?
C803 C804 1.3900 . ?
C803 H803 0.9500 . ?
C804 C805 1.3900 . ?
C804 H804 0.9500 . ?
C805 C806 1.3900 . ?
C805 H805 0.9500 . ?
C806 H806 0.9500 . ?
C901 F901 1.30(3) . ?
C901 C902 1.3900 . ?
C901 C906 1.3900 . ?
C902 F902 1.31(3) . ?
C902 C903 1.3900 . ?
C903 C904 1.3900 . ?
C903 H903 0.9500 . ?
C904 C905 1.3900 . ?
C904 H904 0.9500 . ?
C905 C906 1.3900 . ?
C905 H905 0.9500 . ?
C906 H906 0.9500 . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.173 0.220 0.300 152 -5 ' '
2 -0.173 0.780 0.700 152 -5 ' '
