#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:16:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179807 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/03/7010336.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_7010336
loop_
_publ_author_name
'Connelly, Neil G.'
'Emslie, David J. H.'
'Geiger, William E.'
'Hayward, Owen D.'
'Linehan, Emma B.'
'Orpen, A. Guy'
'Quayle, Michael J.'
'Rieger, Philip H.'
_publ_section_title
;
 Redox-induced \k2--\k3 isomerisation in
 hydrotris(pyrazolyl)boratorhodium complexes: synthesis, structure and
 ESR spectroscopy of stabilised rhodium(II) species
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              670
_journal_paper_doi               10.1039/b008131k
_journal_year                    2001
_chemical_formula_sum            'C35 H39 B Cl2 F6 N6 O P2 Rh'
_chemical_formula_weight         920.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00(13)
_cell_angle_beta                 90.78(14)
_cell_angle_gamma                90.00(14)
_cell_formula_units_Z            4
_cell_length_a                   10.6665(19)
_cell_length_b                   15.090(2)
_cell_length_c                   25.261(4)
_cell_measurement_reflns_used    152
_cell_measurement_temperature    173(2)
_cell_volume                     4065.6(11)
_computing_data_collection       'SMART (Siemens, 1995b)'
_computing_molecular_graphics    'SAINT (Siemens, 1995b)'
_computing_publication_material  'SAINT (Siemens, 1995b)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            19030
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.694
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Sheldrick 1996'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.522
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         7130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0222P)²+4.6822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0702
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                6042
_reflns_number_total             7130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b008131k.txt
_cod_data_source_block           2+
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7010336
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.889050(19) 0.212555(14) 0.882197(8) 0.02370(7) Uani 1 1 d . . .
P1 P 0.90166(7) 0.36107(5) 0.85799(3) 0.02584(16) Uani 1 1 d . . .
P2 P 1.07480(8) 0.26367(5) 0.57987(3) 0.03634(19) Uani 1 1 d . . .
N2 N 0.9797(2) 0.15342(16) 0.81173(9) 0.0291(5) Uani 1 1 d . . .
N1 N 1.0847(2) 0.10399(16) 0.82333(9) 0.0299(5) Uani 1 1 d . . .
N3 N 0.9991(2) 0.03660(15) 0.90649(9) 0.0270(5) Uani 1 1 d . . .
N4 N 0.8886(2) 0.08229(15) 0.91042(9) 0.0259(5) Uani 1 1 d . . .
N5 N 1.1484(2) 0.16321(15) 0.91370(9) 0.0266(5) Uani 1 1 d . . .
N6 N 1.0538(2) 0.21997(15) 0.92799(8) 0.0247(5) Uani 1 1 d . . .
O1 O 0.6283(2) 0.20145(19) 0.83526(11) 0.0617(7) Uani 1 1 d . . .
B1 B 1.1159(3) 0.0796(2) 0.88095(13) 0.0283(7) Uani 1 1 d . . .
H1A H 1.192(3) 0.0338(18) 0.8815(10) 0.025(7) Uiso 1 1 d . . .
C1 C 1.0613(3) 0.40384(19) 0.86586(11) 0.0284(6) Uani 1 1 d . . .
C2 C 1.1610(3) 0.3519(2) 0.84849(11) 0.0341(7) Uani 1 1 d . . .
H2 H 1.1452 0.2967 0.8316 0.041 Uiso 1 1 calc R . .
C3 C 1.2838(3) 0.3815(2) 0.85602(12) 0.0410(8) Uani 1 1 d . . .
H3 H 1.3518 0.3463 0.8442 0.049 Uiso 1 1 calc R . .
C4 C 1.3072(3) 0.4621(2) 0.88071(13) 0.0454(8) Uani 1 1 d . . .
H4 H 1.3911 0.4816 0.8862 0.054 Uiso 1 1 calc R . .
C5 C 1.2089(3) 0.5137(2) 0.89719(13) 0.0427(8) Uani 1 1 d . . .
H5 H 1.2250 0.5694 0.9135 0.051 Uiso 1 1 calc R . .
C6 C 1.0866(3) 0.4849(2) 0.89012(12) 0.0356(7) Uani 1 1 d . . .
H6 H 1.0193 0.5207 0.9019 0.043 Uiso 1 1 calc R . .
C7 C 0.7989(2) 0.43002(18) 0.89725(11) 0.0271(6) Uani 1 1 d . . .
C8 C 0.7369(3) 0.3950(2) 0.94085(11) 0.0323(7) Uani 1 1 d . . .
H8 H 0.7461 0.3340 0.9494 0.039 Uiso 1 1 calc R . .
C9 C 0.6620(3) 0.4487(2) 0.97169(12) 0.0381(7) Uani 1 1 d . . .
H9 H 0.6210 0.4247 1.0016 0.046 Uiso 1 1 calc R . .
C10 C 0.6470(3) 0.5371(2) 0.95882(13) 0.0413(8) Uani 1 1 d . . .
H10 H 0.5967 0.5740 0.9804 0.050 Uiso 1 1 calc R . .
C11 C 0.7046(3) 0.5724(2) 0.91483(12) 0.0383(7) Uani 1 1 d . . .
H11 H 0.6924 0.6329 0.9057 0.046 Uiso 1 1 calc R . .
C12 C 0.7800(3) 0.51914(19) 0.88419(12) 0.0322(7) Uani 1 1 d . . .
H12 H 0.8194 0.5433 0.8539 0.039 Uiso 1 1 calc R . .
C13 C 0.8560(3) 0.39040(19) 0.79055(11) 0.0316(6) Uani 1 1 d . . .
C14 C 0.7285(3) 0.4006(2) 0.77803(13) 0.0422(8) Uani 1 1 d . . .
H14 H 0.6675 0.3940 0.8048 0.051 Uiso 1 1 calc R . .
C15 C 0.6909(4) 0.4205(2) 0.72654(15) 0.0559(10) Uani 1 1 d . . .
H15 H 0.6045 0.4284 0.7182 0.067 Uiso 1 1 calc R . .
C16 C 0.7798(4) 0.4287(3) 0.68754(15) 0.0629(11) Uani 1 1 d . . .
H16 H 0.7538 0.4409 0.6522 0.075 Uiso 1 1 calc R . .
C17 C 0.9051(4) 0.4195(3) 0.69935(13) 0.0570(10) Uani 1 1 d . . .
H17 H 0.9653 0.4261 0.6723 0.068 Uiso 1 1 calc R . .
C18 C 0.9438(3) 0.4006(2) 0.75089(12) 0.0417(8) Uani 1 1 d . . .
H18 H 1.0307 0.3947 0.7590 0.050 Uiso 1 1 calc R . .
C19 C 0.9610(3) 0.1484(2) 0.75914(11) 0.0332(7) Uani 1 1 d . . .
C20 C 1.0562(3) 0.0983(2) 0.73708(12) 0.0427(8) Uani 1 1 d . . .
H20 H 1.0667 0.0857 0.7006 0.051 Uiso 1 1 calc R . .
C21 C 1.1318(3) 0.0705(2) 0.77794(12) 0.0391(7) Uani 1 1 d . . .
C22 C 0.8486(3) 0.1855(2) 0.73076(12) 0.0444(8) Uani 1 1 d . . .
H22A H 0.7859 0.1386 0.7257 0.067 Uiso 1 1 calc R . .
H22B H 0.8735 0.2085 0.6962 0.067 Uiso 1 1 calc R . .
H22C H 0.8126 0.2335 0.7518 0.067 Uiso 1 1 calc R . .
C23 C 1.2485(3) 0.0152(3) 0.77704(14) 0.0605(11) Uani 1 1 d . . .
H23A H 1.2350 -0.0396 0.7970 0.091 Uiso 1 1 calc R . .
H23B H 1.3181 0.0484 0.7932 0.091 Uiso 1 1 calc R . .
H23C H 1.2689 0.0007 0.7403 0.091 Uiso 1 1 calc R . .
C24 C 0.8067(3) 0.03039(19) 0.93554(10) 0.0289(6) Uani 1 1 d . . .
C25 C 0.8650(3) -0.0492(2) 0.94786(11) 0.0342(7) Uani 1 1 d . . .
H25 H 0.8286 -0.0982 0.9656 0.041 Uiso 1 1 calc R . .
C26 C 0.9855(3) -0.04386(18) 0.92960(11) 0.0305(6) Uani 1 1 d . . .
C27 C 0.6751(3) 0.0591(2) 0.94522(13) 0.0419(8) Uani 1 1 d . . .
H27A H 0.6372 0.0198 0.9714 0.063 Uiso 1 1 calc R . .
H27B H 0.6267 0.0562 0.9120 0.063 Uiso 1 1 calc R . .
H27C H 0.6751 0.1200 0.9586 0.063 Uiso 1 1 calc R . .
C28 C 1.0891(3) -0.1100(2) 0.93291(14) 0.0465(8) Uani 1 1 d . . .
H28A H 1.0588 -0.1641 0.9500 0.070 Uiso 1 1 calc R . .
H28B H 1.1590 -0.0854 0.9538 0.070 Uiso 1 1 calc R . .
H28C H 1.1177 -0.1241 0.8972 0.070 Uiso 1 1 calc R . .
C29 C 1.2525(3) 0.1815(2) 0.94303(11) 0.0307(6) Uani 1 1 d . . .
C30 C 1.2241(3) 0.2497(2) 0.97676(11) 0.0308(6) Uani 1 1 d . . .
H30 H 1.2791 0.2763 1.0020 0.037 Uiso 1 1 calc R . .
C31 C 1.0995(3) 0.27256(18) 0.96698(10) 0.0274(6) Uani 1 1 d . . .
C32 C 1.3723(3) 0.1318(2) 0.93679(14) 0.0456(8) Uani 1 1 d . . .
H32A H 1.4344 0.1535 0.9627 0.068 Uiso 1 1 calc R . .
H32B H 1.4038 0.1408 0.9009 0.068 Uiso 1 1 calc R . .
H32C H 1.3574 0.0685 0.9427 0.068 Uiso 1 1 calc R . .
C33 C 1.0220(3) 0.3385(2) 0.99586(11) 0.0343(7) Uani 1 1 d . . .
H33A H 1.0076 0.3904 0.9733 0.052 Uiso 1 1 calc R . .
H33B H 1.0660 0.3565 1.0284 0.052 Uiso 1 1 calc R . .
H33C H 0.9413 0.3117 1.0048 0.052 Uiso 1 1 calc R . .
C34 C 0.7271(3) 0.2062(2) 0.85221(12) 0.0368(7) Uani 1 1 d . . .
F1 F 0.93433(19) 0.27957(15) 0.59796(9) 0.0636(6) Uani 1 1 d . . .
F2 F 1.1262(2) 0.29462(19) 0.63576(9) 0.0806(8) Uani 1 1 d . . .
F3 F 1.0678(2) 0.16316(14) 0.59988(9) 0.0647(6) Uani 1 1 d . . .
F4 F 1.0233(2) 0.23110(15) 0.52351(8) 0.0663(6) Uani 1 1 d . . .
F5 F 1.0816(2) 0.36242(14) 0.55933(10) 0.0724(7) Uani 1 1 d . . .
F6 F 1.21460(19) 0.24462(15) 0.56124(10) 0.0681(6) Uani 1 1 d . . .
C62A C 1.3778(5) 0.2054(3) 0.68505(18) 0.0798(14) Uani 0.231(10) 1 d P A 1
H62A H 1.3328 0.1481 0.6865 0.096 Uiso 0.231(10) 1 calc PR A 1
H62B H 1.3490 0.2375 0.6529 0.096 Uiso 0.231(10) 1 calc PR A 1
Cl1A Cl 1.3435(17) 0.2681(7) 0.7414(6) 0.085(3) Uani 0.231(10) 1 d P A 1
Cl2A Cl 1.5285(17) 0.188(2) 0.6820(14) 0.341(16) Uani 0.231(10) 1 d P A 1
C62B C 1.3778(5) 0.2054(3) 0.68505(18) 0.0798(14) Uani 0.769(10) 1 d P A 2
H62C H 1.3160 0.2292 0.6591 0.096 Uiso 0.769(10) 1 calc PR A 2
H62D H 1.3573 0.1423 0.6914 0.096 Uiso 0.769(10) 1 calc PR A 2
Cl1B Cl 1.3673(7) 0.2625(4) 0.7427(3) 0.174(3) Uani 0.769(10) 1 d P A 2
Cl2B Cl 1.5289(3) 0.21331(18) 0.65890(11) 0.0838(10) Uani 0.769(10) 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C34 Rh1 N4 94.74(18) . . ?
C34 Rh1 N6 170.23(11) . . ?
N4 Rh1 N6 82.40(16) . . ?
C34 Rh1 N2 93.66(15) . . ?
N4 Rh1 N2 84.19(13) . . ?
N6 Rh1 N2 95.34(12) . . ?
C34 Rh1 P1 89.98(17) . . ?
N4 Rh1 P1 174.38(6) . . ?
N6 Rh1 P1 92.44(15) . . ?
N2 Rh1 P1 98.56(13) . . ?
C34 Rh1 B1 131.81(13) . . ?
N4 Rh1 B1 53.78(12) . . ?
N6 Rh1 B1 53.07(12) . . ?
N2 Rh1 B1 52.62(13) . . ?
P1 Rh1 B1 124.37(11) . . ?
C7 P1 C13 102.48(16) . . ?
C7 P1 C1 107.83(16) . . ?
C13 P1 C1 104.64(19) . . ?
C7 P1 Rh1 111.77(14) . . ?
C13 P1 Rh1 117.66(15) . . ?
C1 P1 Rh1 111.61(16) . . ?
F2 P2 F5 89.87(19) . . ?
F2 P2 F1 90.87(18) . . ?
F5 P2 F1 89.99(19) . . ?
F2 P2 F6 90.16(18) . . ?
F5 P2 F6 91.47(19) . . ?
F1 P2 F6 178.22(13) . . ?
F2 P2 F4 179.28(14) . . ?
F5 P2 F4 90.82(17) . . ?
F1 P2 F4 89.35(17) . . ?
F6 P2 F4 89.61(17) . . ?
F2 P2 F3 90.87(18) . . ?
F5 P2 F3 179.23(14) . . ?
F1 P2 F3 90.22(18) . . ?
F6 P2 F3 88.31(18) . . ?
F4 P2 F3 88.44(17) . . ?
C19 N2 N1 106.9(3) . . ?
C19 N2 Rh1 139.0(2) . . ?
N1 N2 Rh1 114.14(19) . . ?
C21 N1 N2 109.4(3) . . ?
C21 N1 B1 129.5(3) . . ?
N2 N1 B1 119.9(2) . . ?
C26 N3 N4 108.8(2) . . ?
C26 N3 B1 130.1(3) . . ?
N4 N3 B1 121.0(2) . . ?
C24 N4 N3 107.9(2) . . ?
C24 N4 Rh1 135.7(2) . . ?
N3 N4 Rh1 116.2(2) . . ?
C29 N5 N6 109.2(2) . . ?
C29 N5 B1 129.5(3) . . ?
N6 N5 B1 119.2(2) . . ?
C31 N6 N5 107.3(2) . . ?
C31 N6 Rh1 136.6(2) . . ?
N5 N6 Rh1 115.79(18) . . ?
N1 B1 N5 110.9(3) . . ?
N1 B1 N3 109.3(3) . . ?
N5 B1 N3 107.1(2) . . ?
N1 B1 Rh1 72.52(19) . . ?
N5 B1 Rh1 68.97(16) . . ?
N3 B1 Rh1 68.95(15) . . ?
C6 C1 C2 119.1(3) . . ?
C6 C1 P1 122.2(3) . . ?
C2 C1 P1 118.7(2) . . ?
C3 C2 C1 119.7(3) . . ?
C4 C3 C2 120.3(3) . . ?
C5 C4 C3 119.9(3) . . ?
C4 C5 C6 120.2(3) . . ?
C5 C6 C1 120.6(3) . . ?
C8 C7 C12 118.8(3) . . ?
C8 C7 P1 120.7(2) . . ?
C12 C7 P1 120.6(2) . . ?
C9 C8 C7 120.4(3) . . ?
C10 C9 C8 119.9(3) . . ?
C11 C10 C9 120.6(3) . . ?
C12 C11 C10 119.6(3) . . ?
C11 C12 C7 120.7(3) . . ?
C18 C13 C14 119.2(3) . . ?
C18 C13 P1 121.8(2) . . ?
C14 C13 P1 119.0(3) . . ?
C15 C14 C13 120.1(4) . . ?
C16 C15 C14 119.7(4) . . ?
C17 C16 C15 120.8(3) . . ?
C16 C17 C18 120.0(4) . . ?
C13 C18 C17 120.2(3) . . ?
N2 C19 C20 109.2(3) . . ?
N2 C19 C22 124.0(3) . . ?
C20 C19 C22 126.6(3) . . ?
C21 C20 C19 106.9(3) . . ?
N1 C21 C20 107.6(3) . . ?
N1 C21 C23 122.5(3) . . ?
C20 C21 C23 129.9(3) . . ?
N4 C24 C25 108.7(3) . . ?
N4 C24 C27 121.9(3) . . ?
C25 C24 C27 129.4(3) . . ?
C26 C25 C24 107.0(3) . . ?
N3 C26 C25 107.7(3) . . ?
N3 C26 C28 122.7(3) . . ?
C25 C26 C28 129.6(3) . . ?
N5 C29 C30 107.8(3) . . ?
N5 C29 C32 122.4(3) . . ?
C30 C29 C32 129.8(3) . . ?
C29 C30 C31 107.1(3) . . ?
N6 C31 C30 108.6(3) . . ?
N6 C31 C33 123.5(3) . . ?
C30 C31 C33 127.8(3) . . ?
O1 C34 Rh1 178.3(3) . . ?
Cl2A C62A Cl1A 110.1(9) . . ?
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 C34 1.879(4) . ?
Rh1 N4 2.091(3) . ?
Rh1 N6 2.093(3) . ?
Rh1 N2 2.224(4) . ?
Rh1 P1 2.3275(16) . ?
Rh1 B1 3.143(5) . ?
P1 C7 1.815(4) . ?
P1 C13 1.820(3) . ?
P1 C1 1.829(3) . ?
P2 F2 1.578(3) . ?
P2 F5 1.580(2) . ?
P2 F1 1.591(2) . ?
P2 F6 1.596(3) . ?
P2 F4 1.596(3) . ?
P2 F3 1.601(2) . ?
N2 C19 1.343(4) . ?
N2 N1 1.374(4) . ?
N1 C21 1.356(4) . ?
N1 B1 1.533(4) . ?
N3 C26 1.356(4) . ?
N3 N4 1.371(3) . ?
N3 B1 1.553(4) . ?
N4 C24 1.339(4) . ?
N5 C29 1.355(4) . ?
N5 N6 1.376(3) . ?
N5 B1 1.545(4) . ?
N6 C31 1.351(4) . ?
O1 C34 1.134(4) . ?
C1 C6 1.393(4) . ?
C1 C2 1.397(4) . ?
C2 C3 1.395(4) . ?
C3 C4 1.388(5) . ?
C4 C5 1.376(5) . ?
C5 C6 1.385(4) . ?
C7 C8 1.397(4) . ?
C7 C12 1.399(4) . ?
C8 C9 1.385(5) . ?
C9 C10 1.383(5) . ?
C10 C11 1.384(5) . ?
C11 C12 1.382(5) . ?
C13 C18 1.390(5) . ?
C13 C14 1.401(4) . ?
C14 C15 1.388(5) . ?
C15 C16 1.382(6) . ?
C16 C17 1.372(6) . ?
C17 C18 1.390(5) . ?
C19 C20 1.389(5) . ?
C19 C22 1.497(5) . ?
C20 C21 1.367(5) . ?
C21 C23 1.499(5) . ?
C24 C25 1.387(4) . ?
C24 C27 1.492(4) . ?
C25 C26 1.373(4) . ?
C26 C28 1.491(4) . ?
C29 C30 1.372(4) . ?
C29 C32 1.492(4) . ?
C30 C31 1.391(4) . ?
C31 C33 1.491(4) . ?
C62A Cl2A 1.632(16) . ?
C62A Cl1A 1.753(12) . ?
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
Rh1 B1 N1 N2 -7.5(2) . . . . ?
N3 B1 N1 N2 51.9(3) . . . . ?
N5 B1 N1 N2 -66.0(3) . . . . ?
B1 N1 N2 C19 -167.0(2) . . . . ?
H1A B1 N1 N2 171.7(15) . . . . ?
