#------------------------------------------------------------------------------
#$Date: 2017-07-18 04:18:41 +0300 (Tue, 18 Jul 2017) $
#$Revision: 198767 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/04/7120459.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_7120459
loop_
_publ_author_name
'Cui, Hui-Hui'
'Wang, Jing'
'Chen, Xue-tai'
'Xue, Zi-Ling'
_publ_section_title
;
 Slow magnetic relaxation in five-coordinate spin-crossover cobalt(II)
 complexes
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC04785A
_journal_year                    2017
_chemical_formula_moiety         'C14 H31 Co N5, 2(B F4)'
_chemical_formula_sum            'C14 H31 B2 Co F8 N5'
_chemical_formula_weight         501.99
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-04-26 deposited with the CCDC.
2017-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.794(5)
_cell_length_b                   14.351(8)
_cell_length_c                   16.856(9)
_cell_measurement_reflns_used    9206
_cell_measurement_temperature    155(2)
_cell_measurement_theta_max      27.29
_cell_measurement_theta_min      2.61
_cell_volume                     2127(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      155(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'APEX2 CCD detector'
_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  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16648
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.886
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.622
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.136
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.33(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         5083
_refine_ls_number_restraints     1573
_refine_ls_restrained_S_all      1.267
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0715
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0981P)²+9.2432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2127
_refine_ls_wR_factor_ref         0.2159
_reflns_number_gt                4734
_reflns_number_total             5083
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc04785a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      Pmn2(1)
_cod_database_code               7120459
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, z+1/2'
'-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
Co1A Co 0.5000 0.47865(8) 0.03847(6) 0.0139(3) Uani 1 2 d S . .
Co1B Co 0.0000 0.02178(9) 0.22669(6) 0.0135(3) Uani 1 2 d S . .
C1A C 0.1767(11) 0.4617(6) -0.0126(7) 0.014(2) Uiso 0.50 1 d PDU A -1
H1A1 H 0.1087 0.4534 0.0337 0.016 Uiso 0.50 1 calc PR A -1
H1A2 H 0.1195 0.4449 -0.0611 0.016 Uiso 0.50 1 calc PR A -1
C2A C 0.2298(13) 0.5618(7) -0.0174(6) 0.009(2) Uiso 0.50 1 d PDU A -1
H2A1 H 0.1414 0.6045 -0.0156 0.011 Uiso 0.50 1 calc PR A -1
H2A2 H 0.2850 0.5724 -0.0678 0.011 Uiso 0.50 1 calc PR A -1
C3A C 0.4119(10) 0.6700(6) 0.0401(7) 0.0111(19) Uiso 0.50 1 d PDU A -1
H3A1 H 0.4247 0.7027 0.0914 0.013 Uiso 0.50 1 calc PR A -1
H3A2 H 0.3486 0.7097 0.0052 0.013 Uiso 0.50 1 calc PR A -1
C4A C 0.5640(11) 0.6549(7) 0.0027(7) 0.0110(19) Uiso 0.50 1 d PDU A -1
H4A1 H 0.5505 0.6406 -0.0543 0.013 Uiso 0.50 1 calc PR A -1
H4A2 H 0.6249 0.7127 0.0069 0.013 Uiso 0.50 1 calc PR A -1
C5A C 0.7726(13) 0.5409(8) -0.0088(7) 0.011(2) Uiso 0.50 1 d PDU A -1
H5A1 H 0.8537 0.5144 0.0251 0.013 Uiso 0.50 1 calc PR A -1
H5A2 H 0.8170 0.5924 -0.0403 0.013 Uiso 0.50 1 calc PR A -1
C6A C 0.7112(13) 0.4661(6) -0.0642(6) 0.013(2) Uiso 0.50 1 d PDU A -1
H6A1 H 0.6412 0.4948 -0.1031 0.016 Uiso 0.50 1 calc PR A -1
H6A2 H 0.7964 0.4373 -0.0937 0.016 Uiso 0.50 1 calc PR A -1
C7A C 0.5341(8) 0.3347(6) -0.0720(5) 0.0065(18) Uiso 0.50 1 d PDU A -1
H7A1 H 0.5224 0.2719 -0.0486 0.008 Uiso 0.50 1 calc PR A -1
H7A2 H 0.5850 0.3279 -0.1241 0.008 Uiso 0.50 1 calc PR A -1
C8A C 0.3778(10) 0.3789(7) -0.0836(5) 0.0093(18) Uiso 0.50 1 d PDU A -1
H8A1 H 0.3869 0.4367 -0.1153 0.011 Uiso 0.50 1 calc PR A -1
H8A2 H 0.3097 0.3353 -0.1120 0.011 Uiso 0.50 1 calc PR A -1
C9A C 0.2754(13) 0.3156(8) 0.0390(7) 0.006(3) Uiso 0.50 1 d PDU A -1
H9A1 H 0.1920 0.2836 0.0116 0.009 Uiso 0.50 1 calc PR A -1
H9A2 H 0.2435 0.3318 0.0929 0.009 Uiso 0.50 1 calc PR A -1
H9A3 H 0.3642 0.2744 0.0413 0.009 Uiso 0.50 1 calc PR A -1
C10A C 0.2435(14) 0.5807(9) 0.1259(6) 0.015(2) Uiso 0.50 1 d PDU A -1
H10A H 0.3096 0.5921 0.1717 0.022 Uiso 0.50 1 calc PR A -1
H10B H 0.1928 0.5203 0.1321 0.022 Uiso 0.50 1 calc PR A -1
H10C H 0.1669 0.6301 0.1225 0.022 Uiso 0.50 1 calc PR A -1
C11A C 0.7089(15) 0.6065(9) 0.1198(6) 0.015(2) Uiso 0.50 1 d PDU A -1
H11A H 0.7809 0.6579 0.1121 0.023 Uiso 0.50 1 calc PR A -1
H11B H 0.7613 0.5538 0.1447 0.023 Uiso 0.50 1 calc PR A -1
H11C H 0.6255 0.6272 0.1540 0.023 Uiso 0.50 1 calc PR A -1
C12A C 0.7350(16) 0.3338(9) 0.0278(8) 0.015(3) Uiso 0.50 1 d PDU A -1
H12A H 0.8296 0.3249 -0.0020 0.023 Uiso 0.50 1 calc PR A -1
H12B H 0.6874 0.2731 0.0376 0.023 Uiso 0.50 1 calc PR A -1
H12C H 0.7575 0.3641 0.0786 0.023 Uiso 0.50 1 calc PR A -1
C1B C 0.2488(12) 0.0362(6) 0.3277(6) 0.0104(19) Uiso 0.50 1 d PDU B -1
H1B1 H 0.1850 0.0080 0.3697 0.012 Uiso 0.50 1 calc PR B -1
H1B2 H 0.3364 0.0675 0.3531 0.012 Uiso 0.50 1 calc PR B -1
C2B C 0.3039(12) -0.0381(7) 0.2715(7) 0.017(2) Uiso 0.50 1 d PDU B -1
H2B1 H 0.3834 -0.0121 0.2362 0.020 Uiso 0.50 1 calc PR B -1
H2B2 H 0.3488 -0.0903 0.3018 0.020 Uiso 0.50 1 calc PR B -1
C3B C 0.0971(10) -0.1507(7) 0.2647(6) 0.0089(19) Uiso 0.50 1 d PDU B -1
H3B1 H 0.0784 -0.1342 0.3209 0.011 Uiso 0.50 1 calc PR B -1
H3B2 H 0.1627 -0.2068 0.2634 0.011 Uiso 0.50 1 calc PR B -1
C4B C -0.0515(9) -0.1711(6) 0.2241(6) 0.0059(17) Uiso 0.50 1 d PDU B -1
H4B1 H -0.1124 -0.2148 0.2566 0.007 Uiso 0.50 1 calc PR B -1
H4B2 H -0.0325 -0.2004 0.1718 0.007 Uiso 0.50 1 calc PR B -1
C5B C -0.2365(13) -0.0633(7) 0.2829(6) 0.016(2) Uiso 0.50 1 d PDU B -1
H5B1 H -0.1804 -0.0773 0.3324 0.019 Uiso 0.50 1 calc PR B -1
H5B2 H -0.3265 -0.1047 0.2804 0.019 Uiso 0.50 1 calc PR B -1
C6B C -0.2881(11) 0.0398(6) 0.2831(7) 0.0099(19) Uiso 0.50 1 d PDU B -1
H6B1 H -0.3627 0.0507 0.2400 0.012 Uiso 0.50 1 calc PR B -1
H6B2 H -0.3371 0.0553 0.3343 0.012 Uiso 0.50 1 calc PR B -1
C7B C -0.0868(11) 0.1271(9) 0.3485(6) 0.012(2) Uiso 0.50 1 d PDU B -1
H7B1 H -0.0825 0.0723 0.3842 0.015 Uiso 0.50 1 calc PR B -1
H7B2 H -0.1524 0.1748 0.3736 0.015 Uiso 0.50 1 calc PR B -1
C8B C 0.0732(11) 0.1663(8) 0.3365(6) 0.015(2) Uiso 0.50 1 d PDU B -1
H8B1 H 0.0669 0.2301 0.3144 0.018 Uiso 0.50 1 calc PR B -1
H8B2 H 0.1269 0.1695 0.3880 0.018 Uiso 0.50 1 calc PR B -1
C9B C 0.2623(16) 0.1599(10) 0.2306(8) 0.029(3) Uiso 0.50 1 d PDU B -1
H9B1 H 0.2031 0.2005 0.1956 0.043 Uiso 0.50 1 calc PR B -1
H9B2 H 0.3244 0.1175 0.1986 0.043 Uiso 0.50 1 calc PR B -1
H9B3 H 0.3288 0.1980 0.2642 0.043 Uiso 0.50 1 calc PR B -1
C10B C 0.2353(16) -0.1025(11) 0.1447(6) 0.013(3) Uiso 0.50 1 d PDU B -1
H10D H 0.2885 -0.0503 0.1194 0.019 Uiso 0.50 1 calc PR B -1
H10E H 0.1509 -0.1226 0.1109 0.019 Uiso 0.50 1 calc PR B -1
H10F H 0.3062 -0.1544 0.1523 0.019 Uiso 0.50 1 calc PR B -1
C11B C -0.2217(17) -0.0831(12) 0.1379(6) 0.017(4) Uiso 0.50 1 d PDU B -1
H11D H -0.3082 -0.1257 0.1429 0.026 Uiso 0.50 1 calc PR B -1
H11E H -0.1544 -0.1048 0.0954 0.026 Uiso 0.50 1 calc PR B -1
H11F H -0.2588 -0.0205 0.1253 0.026 Uiso 0.50 1 calc PR B -1
C12B C -0.1921(17) 0.1837(9) 0.2238(8) 0.028(3) Uiso 0.50 1 d PDU B -1
H12D H -0.2523 0.1652 0.1774 0.041 Uiso 0.50 1 calc PR B -1
H12E H -0.0989 0.2149 0.2061 0.041 Uiso 0.50 1 calc PR B -1
H12F H -0.2516 0.2265 0.2568 0.041 Uiso 0.50 1 calc PR B -1
N1A N 0.3148(10) 0.4004(6) -0.0043(5) 0.0104(18) Uiso 0.50 1 d PDU A -1
N2A N 0.3351(11) 0.5800(7) 0.0533(6) 0.005(2) Uiso 0.50 1 d PDU A -1
N3A N 0.6469(11) 0.5771(7) 0.0417(6) 0.006(2) Uiso 0.50 1 d PDU A -1
N4A N 0.6293(11) 0.3934(6) -0.0190(6) 0.015(2) Uiso 0.50 1 d PDU A -1
N1B N 0.1578(13) 0.1051(8) 0.2812(7) 0.010(3) Uiso 0.50 1 d PDU B -1
N2B N 0.1747(11) -0.0720(6) 0.2236(6) 0.0109(19) Uiso 0.50 1 d PDU B -1
N3B N -0.1369(12) -0.0806(7) 0.2133(6) 0.017(2) Uiso 0.50 1 d PDU B -1
N4B N -0.1517(13) 0.0994(7) 0.2708(7) 0.008(3) Uiso 0.50 1 d PDU B -1
N5A N 0.5000 0.4312(6) 0.1484(5) 0.0081(12) Uani 0.50 1 d PU A .
C13A C 0.5000 0.4143(6) 0.2178(5) 0.0076(12) Uani 1 2 d SU . .
C14A C 0.4799(14) 0.3948(6) 0.3024(5) 0.0056(17) Uiso 0.50 1 d PU A -1
H14A H 0.5034 0.4508 0.3333 0.008 Uiso 0.50 1 calc PR A -1
H14B H 0.5484 0.3442 0.3183 0.008 Uiso 0.50 1 calc PR A -1
H14C H 0.3744 0.3761 0.3124 0.008 Uiso 0.50 1 calc PR A -1
N5B N 0.0319(12) 0.0704(9) 0.1097(7) 0.021(3) Uiso 0.50 1 d P B -1
C13B C 0.0409(14) 0.0838(10) 0.0529(9) 0.023(3) Uiso 0.50 1 d P B -1
C14B C 0.0457(16) 0.0978(11) -0.0320(9) 0.026(3) Uiso 0.50 1 d P B -1
H14D H 0.0499 0.1647 -0.0435 0.040 Uiso 0.50 1 calc PR B -1
H14E H -0.0457 0.0711 -0.0562 0.040 Uiso 0.50 1 calc PR B -1
H14F H 0.1361 0.0673 -0.0539 0.040 Uiso 0.50 1 calc PR B -1
B1A B 0.5212(17) 0.0692(8) 0.0146(7) 0.048(3) Uani 0.50 1 d PDU . .
F1A F 0.5000 -0.0262(5) 0.0185(7) 0.061(3) Uani 1 2 d SDU . .
F2A F 0.484(2) 0.1062(7) 0.0879(5) 0.043(3) Uani 0.50 1 d PDU . .
F3A F 0.4315(13) 0.1055(7) -0.0447(6) 0.058(3) Uani 0.50 1 d PDU . .
F4A F 0.6719(12) 0.0909(9) -0.0021(9) 0.062(3) Uani 0.50 1 d PDU . .
B1C B 0.5197(15) 0.7120(9) 0.3047(8) 0.0187(17) Uiso 0.382(12) 1 d PDU . 1
F1C F 0.5271(13) 0.7523(9) 0.2294(6) 0.024(2) Uani 0.382(12) 1 d PDU . 1
F2C F 0.5000 0.6162(6) 0.2976(6) 0.0204(18) Uani 0.76(2) 2 d SPDU . 1
F3C F 0.4024(12) 0.7551(8) 0.3449(7) 0.0196(19) Uani 0.382(12) 1 d PDU . 1
F4C F 0.6575(11) 0.7249(8) 0.3441(8) 0.0209(19) Uani 0.382(12) 1 d PDU . 1
B1X B 0.5000 0.6988(18) 0.3072(14) 0.0201(17) Uiso 0.24(2) 2 d SPDU . 2
F1X F 0.456(4) 0.734(2) 0.2349(15) 0.021(2) Uani 0.118(12) 1 d PDU . 2
F2X F 0.469(3) 0.6036(16) 0.310(2) 0.019(2) Uani 0.118(12) 1 d PDU . 2
F3X F 0.421(3) 0.741(2) 0.3683(18) 0.020(2) Uani 0.118(12) 1 d PDU . 2
F4X F 0.6558(15) 0.711(2) 0.317(2) 0.020(2) Uani 0.118(12) 1 d PDU . 2
B1B B 0.0000 0.4348(6) 0.2508(5) 0.0148(18) Uani 1 2 d SDU . .
F1B F 0.017(2) 0.5313(4) 0.2558(6) 0.025(3) Uani 0.50 1 d PDU . .
F2B F 0.0255(15) 0.4082(7) 0.1738(5) 0.038(3) Uani 0.50 1 d PDU . .
F3B F 0.1087(12) 0.3956(9) 0.2991(7) 0.037(3) Uani 0.50 1 d PDU . .
F4B F -0.1434(11) 0.4087(9) 0.2769(8) 0.038(3) Uani 0.50 1 d PDU . .
B1D B 0.0000 0.7907(6) 0.9588(5) 0.0139(14) Uani 1 2 d SDU . .
F1D F 0.0183(17) 0.7471(5) 1.0325(4) 0.017(2) Uani 0.50 1 d PDU . .
F2D F 0.0363(9) 0.8841(4) 0.9683(5) 0.025(2) Uani 0.50 1 d PDU . .
F3D F -0.1319(11) 0.7731(7) 0.9255(7) 0.024(2) Uani 0.50 1 d PDU . .
F4D F 0.1206(12) 0.7534(7) 0.9107(6) 0.019(2) Uani 0.50 1 d PDU . .
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'
Co Co 0.3494 0.9721 '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
N3A Co1A N3A 84.8(5) . 4_655
N3A Co1A N4A 151.5(4) . 4_655
N3A Co1A N4A 94.8(4) 4_655 4_655
N3A Co1A N4A 94.8(4) . .
N3A Co1A N4A 151.5(4) 4_655 .
N4A Co1A N4A 72.2(5) 4_655 .
N3A Co1A N5A 103.2(4) . .
N3A Co1A N5A 103.2(4) 4_655 .
N4A Co1A N5A 104.6(3) 4_655 .
N4A Co1A N5A 104.6(3) . .
N3A Co1A N2A 5.9(4) . 4_655
N3A Co1A N2A 87.2(3) 4_655 4_655
N4A Co1A N2A 156.7(4) 4_655 4_655
N4A Co1A N2A 95.3(3) . 4_655
N5A Co1A N2A 97.5(3) . 4_655
N3A Co1A N2A 87.2(3) . .
N3A Co1A N2A 5.9(4) 4_655 .
N4A Co1A N2A 95.3(3) 4_655 .
N4A Co1A N2A 156.7(4) . .
N5A Co1A N2A 97.4(3) . .
N2A Co1A N2A 89.0(5) 4_655 .
N3A Co1A N1A 157.6(4) . .
N3A Co1A N1A 83.2(3) 4_655 .
N4A Co1A N1A 15.1(3) 4_655 .
N4A Co1A N1A 86.9(4) . .
N5A Co1A N1A 97.9(3) . .
N2A Co1A N1A 163.4(4) 4_655 .
N2A Co1A N1A 82.8(3) . .
N3A Co1A N1A 83.2(3) . 4_655
N3A Co1A N1A 157.6(4) 4_655 4_655
N4A Co1A N1A 86.9(4) 4_655 4_655
N4A Co1A N1A 15.1(3) . 4_655
N5A Co1A N1A 97.9(3) . 4_655
N2A Co1A N1A 82.8(3) 4_655 4_655
N2A Co1A N1A 163.4(4) . 4_655
N1A Co1A N1A 101.4(4) . 4_655
N4B Co1B N4B 89.8(5) 4 .
N4B Co1B N3B 93.1(4) 4 4
N4B Co1B N3B 160.6(4) . 4
N4B Co1B N3B 160.6(4) 4 .
N4B Co1B N3B 93.1(4) . .
N3B Co1B N3B 78.0(5) 4 .
N4B Co1B N2B 82.4(4) 4 .
N4B Co1B N2B 158.2(4) . .
N3B Co1B N2B 10.8(3) 4 .
N3B Co1B N2B 88.0(4) . .
N4B Co1B N2B 158.2(4) 4 4
N4B Co1B N2B 82.4(4) . 4
N3B Co1B N2B 88.0(4) 4 4
N3B Co1B N2B 10.8(3) . 4
N2B Co1B N2B 97.5(5) . 4
N4B Co1B N1B 87.6(3) 4 4
N4B Co1B N1B 3.5(5) . 4
N3B Co1B N1B 158.0(4) 4 4
N3B Co1B N1B 94.3(4) . 4
N2B Co1B N1B 154.8(4) . 4
N2B Co1B N1B 83.5(3) 4 4
N4B Co1B N1B 3.5(5) 4 .
N4B Co1B N1B 87.6(3) . .
N3B Co1B N1B 94.3(4) 4 .
N3B Co1B N1B 158.0(4) . .
N2B Co1B N1B 83.5(3) . .
N2B Co1B N1B 154.8(4) 4 .
N1B Co1B N1B 85.2(5) 4 .
N4B Co1B N5B 94.5(4) 4 .
N4B Co1B N5B 105.5(4) . .
N3B Co1B N5B 93.5(4) 4 .
N3B Co1B N5B 103.2(4) . .
N2B Co1B N5B 95.4(4) . .
N2B Co1B N5B 107.1(4) 4 .
N1B Co1B N5B 108.4(4) 4 .
N1B Co1B N5B 97.8(4) . .
N4B Co1B N5B 105.5(4) 4 4
N4B Co1B N5B 94.5(4) . 4
N3B Co1B N5B 103.2(4) 4 4
N3B Co1B N5B 93.5(4) . 4
N2B Co1B N5B 107.1(4) . 4
N2B Co1B N5B 95.4(4) 4 4
N1B Co1B N5B 97.8(4) 4 4
N1B Co1B N5B 108.4(4) . 4
N5B Co1B N5B 15.3(6) . 4
N1A C1A C2A 108.1(8) . .
N1A C1A H1A1 110.1 . .
C2A C1A H1A1 110.1 . .
N1A C1A H1A2 110.1 . .
C2A C1A H1A2 110.1 . .
H1A1 C1A H1A2 108.4 . .
C1A C2A N2A 107.9(8) . .
C1A C2A H2A1 110.1 . .
N2A C2A H2A1 110.1 . .
C1A C2A H2A2 110.1 . .
N2A C2A H2A2 110.1 . .
H2A1 C2A H2A2 108.4 . .
N2A C3A C4A 110.3(7) . .
N2A C3A H3A1 109.6 . .
C4A C3A H3A1 109.6 . .
N2A C3A H3A2 109.6 . .
C4A C3A H3A2 109.6 . .
H3A1 C3A H3A2 108.1 . .
N3A C4A C3A 111.2(7) . .
N3A C4A H4A1 109.4 . .
C3A C4A H4A1 109.4 . .
N3A C4A H4A2 109.4 . .
C3A C4A H4A2 109.4 . .
H4A1 C4A H4A2 108.0 . .
N3A C5A C6A 109.4(8) . .
N3A C5A H5A1 109.8 . .
C6A C5A H5A1 109.8 . .
N3A C5A H5A2 109.8 . .
C6A C5A H5A2 109.8 . .
H5A1 C5A H5A2 108.2 . .
N4A C6A C5A 110.8(8) . .
N4A C6A H6A1 109.5 . .
C5A C6A H6A1 109.5 . .
N4A C6A H6A2 109.5 . .
C5A C6A H6A2 109.5 . .
H6A1 C6A H6A2 108.1 . .
N4A C7A C8A 110.4(7) . .
N4A C7A H7A1 109.6 . .
C8A C7A H7A1 109.6 . .
N4A C7A H7A2 109.6 . .
C8A C7A H7A2 109.6 . .
H7A1 C7A H7A2 108.1 . .
N1A C8A C7A 108.0(7) . .
N1A C8A H8A1 110.1 . .
C7A C8A H8A1 110.1 . .
N1A C8A H8A2 110.1 . .
C7A C8A H8A2 110.1 . .
H8A1 C8A H8A2 108.4 . .
N1B C1B C2B 108.1(8) . .
N1B C1B H1B1 110.1 . .
C2B C1B H1B1 110.1 . .
N1B C1B H1B2 110.1 . .
C2B C1B H1B2 110.1 . .
H1B1 C1B H1B2 108.4 . .
N2B C2B C1B 109.2(8) . .
N2B C2B H2B1 109.8 . .
C1B C2B H2B1 109.8 . .
N2B C2B H2B2 109.8 . .
C1B C2B H2B2 109.8 . .
H2B1 C2B H2B2 108.3 . .
N2B C3B C4B 109.5(7) . .
N2B C3B H3B1 109.8 . .
C4B C3B H3B1 109.8 . .
N2B C3B H3B2 109.8 . .
C4B C3B H3B2 109.8 . .
H3B1 C3B H3B2 108.2 . .
C3B C4B N3B 108.6(7) . .
C3B C4B H4B1 110.0 . .
N3B C4B H4B1 110.0 . .
C3B C4B H4B2 110.0 . .
N3B C4B H4B2 110.0 . .
H4B1 C4B H4B2 108.3 . .
N3B C5B C6B 109.5(8) . .
N3B C5B H5B1 109.8 . .
C6B C5B H5B1 109.8 . .
N3B C5B H5B2 109.8 . .
C6B C5B H5B2 109.8 . .
H5B1 C5B H5B2 108.2 . .
N4B C6B C5B 108.2(8) . .
N4B C6B H6B1 110.1 . .
C5B C6B H6B1 110.1 . .
N4B C6B H6B2 110.1 . .
C5B C6B H6B2 110.1 . .
H6B1 C6B H6B2 108.4 . .
N4B C7B C8B 109.6(8) . .
N4B C7B H7B1 109.7 . .
C8B C7B H7B1 109.7 . .
N4B C7B H7B2 109.7 . .
C8B C7B H7B2 109.7 . .
H7B1 C7B H7B2 108.2 . .
N1B C8B C7B 109.1(8) . .
N1B C8B H8B1 109.9 . .
C7B C8B H8B1 109.9 . .
N1B C8B H8B2 109.9 . .
C7B C8B H8B2 109.9 . .
H8B1 C8B H8B2 108.3 . .
C9A N1A C8A 111.4(7) . .
C9A N1A C1A 110.0(8) . .
C8A N1A C1A 109.9(7) . .
C9A N1A Co1A 117.2(7) . .
C8A N1A Co1A 97.5(6) . .
C1A N1A Co1A 110.1(6) . .
C10A N2A C3A 111.8(9) . .
C10A N2A C2A 108.6(8) . .
C3A N2A C2A 108.0(8) . .
C10A N2A Co1A 119.4(8) . .
C3A N2A Co1A 106.1(6) . .
C2A N2A Co1A 102.1(6) . .
C11A N3A C4A 111.0(8) . .
C11A N3A C5A 109.5(8) . .
C4A N3A C5A 111.9(9) . .
C11A N3A Co1A 118.8(8) . .
C4A N3A Co1A 102.2(7) . .
C5A N3A Co1A 103.1(7) . .
C6A N4A C7A 111.3(8) . .
C6A N4A C12A 112.0(9) . .
C7A N4A C12A 110.1(8) . .
C6A N4A Co1A 95.6(6) . .
C7A N4A Co1A 109.2(6) . .
C12A N4A Co1A 117.8(8) . .
C9B N1B C8B 111.1(9) . .
C9B N1B C1B 108.7(9) . .
C8B N1B C1B 109.3(9) . .
C9B N1B Co1B 118.2(10) . .
C8B N1B Co1B 106.7(7) . .
C1B N1B Co1B 102.2(7) . .
C2B N2B C3B 110.4(8) . .
C2B N2B C10B 107.9(8) . .
C3B N2B C10B 110.8(8) . .
C2B N2B Co1B 110.3(6) . .
C3B N2B Co1B 98.2(6) . .
C10B N2B Co1B 118.8(9) . .
C11B N3B C5B 112.8(9) . .
C11B N3B C4B 109.5(9) . .
C5B N3B C4B 110.0(8) . .
C11B N3B Co1B 116.0(10) . .
C5B N3B Co1B 98.7(7) . .
C4B N3B Co1B 109.5(6) . .
C7B N4B C6B 110.0(9) . .
C7B N4B C12B 110.2(9) . .
C6B N4B C12B 110.4(9) . .
C7B N4B Co1B 103.5(7) . .
C6B N4B Co1B 106.6(7) . .
C12B N4B Co1B 115.9(9) . .
C13A N5A Co1A 171.5(8) . .
N5A C13A C14A 173.1(5) . .
N5A C13A C14A 173.1(5) . 4_655
C14A C13A C14A 13.9(9) . 4_655
C13A C14A H14A 109.5 . .
C13A C14A H14B 109.5 . .
C13A C14A H14C 109.5 . .
C13B N5B Co1B 171.3(14) . .
N5B C13B C14B 175.6(17) . .
B1A B1A F3A 110.3(10) 4_655 4_655
B1A B1A F2A 88.0(12) 4_655 4_655
F3A B1A F2A 127.3(12) 4_655 4_655
B1A B1A F3A 55.0(8) 4_655 .
F3A B1A F3A 55.3(13) 4_655 .
F2A B1A F3A 119.9(14) 4_655 .
B1A B1A F2A 76.4(10) 4_655 .
F3A B1A F2A 131.2(12) 4_655 .
F2A B1A F2A 11.6(18) 4_655 .
F3A B1A F2A 111.6(11) . .
B1A B1A F1A 82.3(6) 4_655 .
F3A B1A F1A 121.0(11) 4_655 .
F2A B1A F1A 110.0(10) 4_655 .
F3A B1A F1A 109.4(10) . .
F2A B1A F1A 107.8(10) . .
B1A B1A F4A 162.4(7) 4_655 .
F3A B1A F4A 53.4(11) 4_655 .
F2A B1A F4A 97.5(15) 4_655 .
F3A B1A F4A 108.4(11) . .
F2A B1A F4A 108.6(11) . .
F1A B1A F4A 111.1(10) . .
B1A B1A F4A 13.9(6) 4_655 4_655
F3A B1A F4A 97.3(11) 4_655 4_655
F2A B1A F4A 92.5(12) 4_655 4_655
F3A B1A F4A 42.2(8) . 4_655
F2A B1A F4A 81.2(12) . 4_655
F1A B1A F4A 93.1(9) . 4_655
F4A B1A F4A 148.6(13) . 4_655
B1A F1A B1A 15.5(12) . 4_655
F2A F2A B1A 92.0(12) 4_655 4_655
F2A F2A B1A 76.4(10) 4_655 .
B1A F2A B1A 15.6(13) 4_655 .
F4A F3A B1A 71.6(9) 4_655 4_655
F4A F3A F3A 140.6(7) 4_655 4_655
B1A F3A F3A 69.7(10) 4_655 4_655
F4A F3A B1A 86.2(11) 4_655 .
B1A F3A B1A 14.7(12) 4_655 .
F3A F3A B1A 55.0(8) 4_655 .
F3A F4A B1A 55.0(7) 4_655 .
F3A F4A B1A 51.7(7) 4_655 4_655
B1A F4A B1A 3.7(3) . 4_655
B1C B1C F3C 126.7(9) 4_655 4_655
B1C B1C F3C 41.6(7) 4_655 .
F3C B1C F3C 85.1(14) 4_655 .
B1C B1C F2C 82.8(5) 4_655 .
F3C B1C F2C 131.3(12) 4_655 .
F3C B1C F2C 113.1(10) . .
B1C B1C F4C 150.4(8) 4_655 .
F3C B1C F4C 29.1(8) 4_655 .
F3C B1C F4C 110.9(10) . .
F2C B1C F4C 106.3(9) . .
B1C B1C F1C 92.6(7) 4_655 .
F3C B1C F1C 106.7(12) 4_655 .
F3C B1C F1C 107.2(10) . .
F2C B1C F1C 109.7(10) . .
F4C B1C F1C 109.8(11) . .
B1C B1C F1C 73.6(7) 4_655 4_655
F3C B1C F1C 118.1(11) 4_655 4_655
F3C B1C F1C 92.2(11) . 4_655
F2C B1C F1C 106.4(9) . 4_655
F4C B1C F1C 127.5(12) . 4_655
F1C B1C F1C 19.1(9) . 4_655
B1C B1C F4C 23.9(6) 4_655 4_655
F3C B1C F4C 104.9(11) 4_655 4_655
F3C B1C F4C 22.6(6) . 4_655
F2C B1C F4C 91.5(8) . 4_655
F4C B1C F4C 126.5(13) . 4_655
F1C B1C F4C 110.6(10) . 4_655
F1C B1C F4C 92.2(9) 4_655 4_655
F1C F1C B1C 87.4(7) 4_655 .
F1C F1C B1C 73.6(7) 4_655 4_655
B1C F1C B1C 13.8(10) . 4_655
B1C F2C B1C 14.3(11) 4_655 .
F4C F3C B1C 96.1(13) 4_655 4_655
F4C F3C B1C 106.4(15) 4_655 .
B1C F3C B1C 11.6(9) 4_655 .
F4C F3C F3C 140.5(12) 4_655 4_655
B1C F3C F3C 53.3(9) 4_655 4_655
B1C F3C F3C 41.6(8) . 4_655
F3C F4C B1C 54.7(10) 4_655 .
F3C F4C B1C 51.0(11) 4_655 4_655
B1C F4C B1C 5.8(5) . 4_655
F1X B1X F1X 32(3) 4_655 .
F1X B1X F3X 111.1(13) 4_655 4_655
F1X B1X F3X 129.8(17) . 4_655
F1X B1X F3X 129.8(17) 4_655 .
F1X B1X F3X 111.1(13) . .
F3X B1X F3X 60(3) 4_655 .
F1X B1X F4X 78(3) 4_655 .
F1X B1X F4X 109.7(13) . .
F3X B1X F4X 50(3) 4_655 .
F3X B1X F4X 110.3(13) . .
F1X B1X F4X 109.7(13) 4_655 4_655
F1X B1X F4X 78(3) . 4_655
F3X B1X F4X 110.3(13) 4_655 4_655
F3X B1X F4X 50(3) . 4_655
F4X B1X F4X 160(3) . 4_655
F1X B1X F2X 116.4(15) 4_655 .
F1X B1X F2X 109.6(13) . .
F3X B1X F2X 120.2(16) 4_655 .
F3X B1X F2X 107.9(13) . .
F4X B1X F2X 108.2(12) . .
F4X B1X F2X 86(2) 4_655 .
F1X B1X F2X 109.6(13) 4_655 4_655
F1X B1X F2X 116.4(15) . 4_655
F3X B1X F2X 107.9(13) 4_655 4_655
F3X B1X F2X 120.2(16) . 4_655
F4X B1X F2X 86(2) . 4_655
F4X B1X F2X 108.2(12) 4_655 4_655
F2X B1X F2X 23(2) . 4_655
F1X F1X B1X 73.8(15) 4_655 .
F1X F1X F4X 124.6(8) 4_655 4_655
B1X F1X F4X 51.5(13) . 4_655
F2X F2X B1X 78.7(12) 4_655 .
F4X F3X B1X 65.5(16) 4_655 .
F4X F3X F3X 125.2(11) 4_655 4_655
B1X F3X F3X 59.9(15) . 4_655
F3X F4X B1X 64.4(16) 4_655 .
F3X F4X F1X 101(2) 4_655 4_655
B1X F4X F1X 50.7(15) . 4_655
F2B B1B F2B 18.8(11) . 4
F2B B1B F3B 124.0(10) . 4
F2B B1B F3B 109.4(8) 4 4
F2B B1B F3B 109.4(8) . .
F2B B1B F3B 124.0(10) 4 .
F3B B1B F3B 88.0(10) 4 .
F2B B1B F4B 94.4(9) . 4
F2B B1B F4B 111.9(8) 4 4
F3B B1B F4B 109.4(9) 4 4
F3B B1B F4B 21.6(7) . 4
F2B B1B F4B 111.9(8) . .
F2B B1B F4B 94.4(9) 4 .
F3B B1B F4B 21.6(7) 4 .
F3B B1B F4B 109.4(9) . .
F4B B1B F4B 130.7(11) 4 .
F2B B1B F1B 110.6(8) . 4
F2B B1B F1B 108.5(7) 4 4
F3B B1B F1B 107.3(9) 4 4
F3B B1B F1B 116.3(11) . 4
F4B B1B F1B 110.2(9) 4 4
F4B B1B F1B 98.8(12) . 4
F2B B1B F1B 108.5(7) . .
F2B B1B F1B 110.6(8) 4 .
F3B B1B F1B 116.3(11) 4 .
F3B B1B F1B 107.3(9) . .
F4B B1B F1B 98.8(12) 4 .
F4B B1B F1B 110.2(9) . .
F1B B1B F1B 12.1(18) 4 .
F1B F1B B1B 84.0(9) 4 .
F2B F2B B1B 80.6(6) 4 .
F4B F3B B1B 80.4(16) 4 .
F3B F4B B1B 77.9(17) 4 .
F3D B1D F3D 124.1(12) 4 .
F3D B1D F2D 91.8(7) 4 .
F3D B1D F2D 116.0(7) . .
F3D B1D F2D 116.0(7) 4 4
F3D B1D F2D 91.8(7) . 4
F2D B1D F2D 26.6(7) . 4
F3D B1D F1D 113.3(8) 4 4
F3D B1D F1D 101.1(10) . 4
F2D B1D F1D 110.8(7) . 4
F2D B1D F1D 107.6(7) 4 4
F3D B1D F1D 101.1(9) 4 .
F3D B1D F1D 113.3(8) . .
F2D B1D F1D 107.6(7) . .
F2D B1D F1D 110.8(7) 4 .
F1D B1D F1D 13.2(12) 4 .
F3D B1D F4D 109.8(8) 4 4
F3D B1D F4D 15.4(7) . 4
F2D B1D F4D 126.4(7) . 4
F2D B1D F4D 104.8(6) 4 4
F1D B1D F4D 104.5(7) 4 4
F1D B1D F4D 114.8(9) . 4
F3D B1D F4D 15.4(7) 4 .
F3D B1D F4D 109.8(8) . .
F2D B1D F4D 104.8(6) . .
F2D B1D F4D 126.4(7) 4 .
F1D B1D F4D 114.8(9) 4 .
F1D B1D F4D 104.5(7) . .
F4D B1D F4D 95.0(10) 4 .
F1D F1D B1D 83.4(6) 4 .
F2D F2D B1D 76.7(3) 4 .
F4D F3D B1D 101(3) 4 .
F3D F4D B1D 64(2) 4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1A N3A 1.916(11) .
Co1A N3A 1.916(11) 4_655
Co1A N4A 1.931(11) 4_655
Co1A N4A 1.931(11) .
Co1A N5A 1.974(8) .
Co1A N2A 2.069(11) 4_655
Co1A N2A 2.069(11) .
Co1A N1A 2.105(10) .
Co1A N1A 2.105(10) 4_655
Co1B N4B 1.891(13) 4
Co1B N4B 1.891(13) .
Co1B N3B 1.913(12) 4
Co1B N3B 1.913(12) .
Co1B N2B 2.044(10) .
Co1B N2B 2.044(10) 4
Co1B N1B 2.049(14) 4
Co1B N1B 2.049(14) .
Co1B N5B 2.111(13) .
Co1B N5B 2.111(13) 4
C1A N1A 1.506(10) .
C1A C2A 1.512(12) .
C1A H1A1 0.9900 .
C1A H1A2 0.9900 .
C2A N2A 1.532(10) .
C2A H2A1 0.9900 .
C2A H2A2 0.9900 .
C3A N2A 1.474(10) .
C3A C4A 1.495(11) .
C3A H3A1 0.9900 .
C3A H3A2 0.9900 .
C4A N3A 1.487(10) .
C4A H4A1 0.9900 .
C4A H4A2 0.9900 .
C5A N3A 1.489(10) .
C5A C6A 1.521(12) .
C5A H5A1 0.9900 .
C5A H5A2 0.9900 .
C6A N4A 1.478(10) .
C6A H6A1 0.9900 .
C6A H6A2 0.9900 .
C7A N4A 1.487(10) .
C7A C8A 1.526(10) .
C7A H7A1 0.9900 .
C7A H7A2 0.9900 .
C8A N1A 1.479(10) .
C8A H8A1 0.9900 .
C8A H8A2 0.9900 .
C9A N1A 1.461(10) .
C9A H9A1 0.9800 .
C9A H9A2 0.9800 .
C9A H9A3 0.9800 .
C10A N2A 1.466(11) .
C10A H10A 0.9800 .
C10A H10B 0.9800 .
C10A H10C 0.9800 .
C11A N3A 1.486(11) .
C11A H11A 0.9800 .
C11A H11B 0.9800 .
C11A H11C 0.9800 .
C12A N4A 1.490(11) .
C12A H12A 0.9800 .
C12A H12B 0.9800 .
C12A H12C 0.9800 .
C1B N1B 1.494(11) .
C1B C2B 1.506(12) .
C1B H1B1 0.9900 .
C1B H1B2 0.9900 .
C2B N2B 1.476(11) .
C2B H2B1 0.9900 .
C2B H2B2 0.9900 .
C3B N2B 1.491(10) .
C3B C4B 1.504(11) .
C3B H3B1 0.9900 .
C3B H3B2 0.9900 .
C4B N3B 1.512(10) .
C4B H4B1 0.9900 .
C4B H4B2 0.9900 .
C5B N3B 1.484(11) .
C5B C6B 1.549(11) .
C5B H5B1 0.9900 .
C5B H5B2 0.9900 .
C6B N4B 1.487(10) .
C6B H6B1 0.9900 .
C6B H6B2 0.9900 .
C7B N4B 1.483(11) .
C7B C8B 1.529(11) .
C7B H7B1 0.9900 .
C7B H7B2 0.9900 .
C8B N1B 1.481(11) .
C8B H8B1 0.9900 .
C8B H8B2 0.9900 .
C9B N1B 1.480(12) .
C9B H9B1 0.9800 .
C9B H9B2 0.9800 .
C9B H9B3 0.9800 .
C10B N2B 1.497(11) .
C10B H10D 0.9800 .
C10B H10E 0.9800 .
C10B H10F 0.9800 .
C11B N3B 1.474(11) .
C11B H11D 0.9800 .
C11B H11E 0.9800 .
C11B H11F 0.9800 .
C12B N4B 1.490(11) .
C12B H12D 0.9800 .
C12B H12E 0.9800 .
C12B H12F 0.9800 .
N5A C13A 1.194(12) .
C13A C14A 1.465(13) .
C13A C14A 1.465(13) 4_655
C14A H14A 0.9800 .
C14A H14B 0.9800 .
C14A H14C 0.9800 .
N5B C13B 0.979(19) .
C13B C14B 1.45(2) .
C14B H14D 0.9800 .
C14B H14E 0.9800 .
C14B H14F 0.9800 .
B1A B1A 0.37(3) 4_655
B1A F3A 1.200(14) 4_655
B1A F2A 1.345(12) 4_655
B1A F3A 1.375(12) .
B1A F2A 1.383(12) .
B1A F1A 1.383(12) .
B1A F4A 1.390(13) .
B1A F4A 1.75(2) 4_655
F1A B1A 1.383(12) 4_655
F2A F2A 0.28(4) 4_655
F2A B1A 1.345(12) 4_655
F3A F4A 1.177(19) 4_655
F3A B1A 1.200(14) 4_655
F3A F3A 1.21(2) 4_655
F4A F3A 1.177(19) 4_655
F4A B1A 1.75(2) 4_655
B1C B1C 0.35(3) 4_655
B1C F3C 1.145(15) 4_655
B1C F3C 1.381(12) .
B1C F2C 1.390(11) .
B1C F4C 1.394(12) .
B1C F1C 1.397(12) .
B1C F1C 1.455(12) 4_655
B1C F4C 1.704(17) 4_655
F1C F1C 0.48(2) 4_655
F1C B1C 1.455(12) 4_655
F2C B1C 1.390(11) 4_655
F3C F4C 0.683(15) 4_655
F3C B1C 1.145(15) 4_655
F3C F3C 1.72(2) 4_655
F4C F3C 0.683(15) 4_655
F4C B1C 1.704(17) 4_655
B1X F1X 1.375(14) 4_655
B1X F1X 1.375(14) .
B1X F3X 1.379(14) 4_655
B1X F3X 1.379(14) .
B1X F4X 1.392(13) .
B1X F4X 1.392(13) 4_655
B1X F2X 1.394(14) .
B1X F2X 1.395(14) 4_655
F1X F1X 0.77(7) 4_655
F1X F4X 1.74(5) 4_655
F2X F2X 0.54(6) 4_655
F3X F4X 1.17(6) 4_655
F3X F3X 1.38(6) 4_655
F4X F3X 1.17(6) 4_655
F4X F1X 1.74(5) 4_655
B1B F2B 1.371(10) .
B1B F2B 1.371(10) 4
B1B F3B 1.376(10) 4
B1B F3B 1.376(10) .
B1B F4B 1.387(9) 4
B1B F4B 1.387(9) .
B1B F1B 1.395(9) 4
B1B F1B 1.395(9) .
F1B F1B 0.29(4) 4
F2B F2B 0.45(3) 4
F3B F4B 0.518(16) 4
F4B F3B 0.518(16) 4
B1D F3D 1.313(9) 4
B1D F3D 1.313(9) .
B1D F2D 1.388(9) .
B1D F2D 1.388(9) 4
B1D F1D 1.400(9) 4
B1D F1D 1.400(9) .
B1D F4D 1.438(9) 4
B1D F4D 1.438(9) .
F1D F1D 0.32(3) 4
F2D F2D 0.639(15) 4
F3D F4D 0.389(16) 4
F4D F3D 0.389(16) 4
