#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:31:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178569 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/78/4067878.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_4067878
loop_
_publ_author_name
'Kuan, Seah Ling'
'Leong, Weng Kee'
'Webster, Richard D.'
'Goh, Lai Yoong'
_publ_section_title
;
 Mixed-Sandwich Cp*Cr Complexes Containing Poly(methimazolyl)borates (Cp*
 = C5Me5): Syntheses and Structural and Electrochemical Studies
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              273
_journal_paper_doi               10.1021/om2008666
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C18 H27 B Cr F6 N4 P S2'
_chemical_formula_weight         571.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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
_cell_angle_beta                 129.6980(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.0271(11)
_cell_length_b                   18.2357(9)
_cell_length_c                   15.2357(7)
_cell_measurement_reflns_used    3918
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      23.77
_cell_measurement_theta_min      2.23
_cell_volume                     4922.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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    0.0426
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            22430
_diffrn_reflns_theta_full        30.52
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_T_max  0.9011
_exptl_absorpt_correction_T_min  0.7823
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2344
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.146
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         6996
_refine_ls_number_restraints     192
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0850
_refine_ls_R_factor_gt           0.0655
_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)+(0.0885P)²+13.1231P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1665
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                5400
_reflns_number_total             6996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2008666_si_002.cif
_cod_data_source_block           sl16
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4067878
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Cr1 Cr 0.22674(3) 0.52281(3) 0.13162(4) 0.02795(14) Uani 1 1 d . . .
S1 S 0.32523(5) 0.56857(5) 0.31564(8) 0.0423(2) Uani 1 1 d . . .
S2 S 0.17856(5) 0.43063(5) 0.18049(8) 0.0365(2) Uani 1 1 d . . .
B1 B 0.3287(2) 0.4096(2) 0.2044(3) 0.0314(7) Uani 1 1 d . . .
H1 H 0.300(2) 0.4651(18) 0.148(3) 0.028(9) Uiso 1 1 d . . .
H2 H 0.365(2) 0.3943(19) 0.186(3) 0.029(9) Uiso 1 1 d . . .
C1 C 0.22145(18) 0.58629(18) 0.0029(3) 0.0318(6) Uani 1 1 d . . .
C2 C 0.16557(19) 0.52942(18) -0.0538(3) 0.0336(7) Uani 1 1 d . . .
C3 C 0.11289(19) 0.5434(2) -0.0367(3) 0.0377(7) Uani 1 1 d . . .
C4 C 0.1377(2) 0.6058(2) 0.0345(3) 0.0382(8) Uani 1 1 d . . .
C5 C 0.2032(2) 0.63405(18) 0.0557(3) 0.0358(7) Uani 1 1 d . . .
C10 C 0.2868(2) 0.5939(2) 0.0037(3) 0.0444(8) Uani 1 1 d . . .
H10A H 0.2714 0.6229 -0.0614 0.067 Uiso 1 1 calc R . .
H10B H 0.3027 0.5457 -0.0003 0.067 Uiso 1 1 calc R . .
H10C H 0.3283 0.6181 0.0735 0.067 Uiso 1 1 calc R . .
C11 C 0.37442(18) 0.48865(19) 0.3818(3) 0.0327(6) Uani 1 1 d . . .
N12 N 0.37214(15) 0.42675(15) 0.3321(2) 0.0325(6) Uani 1 1 d . . .
C13 C 0.4210(2) 0.3769(2) 0.4185(3) 0.0433(8) Uani 1 1 d . . .
H13 H 0.4306 0.3289 0.4086 0.052 Uiso 1 1 calc R . .
C14 C 0.4520(2) 0.4097(2) 0.5186(3) 0.0477(9) Uani 1 1 d . . .
H14 H 0.4872 0.3887 0.5913 0.057 Uiso 1 1 calc R . .
C15 C 0.4412(3) 0.5332(3) 0.5803(3) 0.0550(11) Uani 1 1 d . . .
H15A H 0.4419 0.5817 0.5549 0.082 Uiso 1 1 calc R . .
H15B H 0.4903 0.5225 0.6527 0.082 Uiso 1 1 calc R . .
H15C H 0.4032 0.5314 0.5894 0.082 Uiso 1 1 calc R . .
N15 N 0.42340(17) 0.47887(18) 0.4956(2) 0.0399(7) Uani 1 1 d . . .
C20 C 0.1626(2) 0.4676(2) -0.1209(3) 0.0469(9) Uani 1 1 d . . .
H20A H 0.1366 0.4262 -0.1197 0.070 Uiso 1 1 calc R . .
H20B H 0.2136 0.4532 -0.0874 0.070 Uiso 1 1 calc R . .
H20C H 0.1358 0.4832 -0.1991 0.070 Uiso 1 1 calc R . .
C21 C 0.20719(18) 0.35435(17) 0.1511(3) 0.0294(6) Uani 1 1 d . . .
N22 N 0.26981(15) 0.34891(15) 0.1624(2) 0.0312(5) Uani 1 1 d . . .
C23 C 0.2724(2) 0.27834(19) 0.1309(3) 0.0390(7) Uani 1 1 d . . .
H23 H 0.3102 0.2594 0.1304 0.047 Uiso 1 1 calc R . .
C24 C 0.2117(2) 0.2419(2) 0.1015(3) 0.0411(8) Uani 1 1 d . . .
H24 H 0.1992 0.1929 0.0768 0.049 Uiso 1 1 calc R . .
C25 C 0.0993(2) 0.2736(2) 0.0892(4) 0.0453(9) Uani 1 1 d . . .
H25A H 0.1023 0.2890 0.1530 0.068 Uiso 1 1 calc R . .
H25B H 0.0894 0.2213 0.0771 0.068 Uiso 1 1 calc R . .
H25C H 0.0587 0.2998 0.0211 0.068 Uiso 1 1 calc R . .
N25 N 0.17106(16) 0.28968(15) 0.1142(2) 0.0347(6) Uani 1 1 d . . .
C30 C 0.0410(2) 0.5023(3) -0.0893(4) 0.0577(11) Uani 1 1 d . . .
H30A H -0.0010 0.5284 -0.1562 0.087 Uiso 1 1 calc R . .
H30B H 0.0328 0.4983 -0.0344 0.087 Uiso 1 1 calc R . .
H30C H 0.0445 0.4536 -0.1111 0.087 Uiso 1 1 calc R . .
C40 C 0.0994(3) 0.6394(3) 0.0769(4) 0.0604(12) Uani 1 1 d . . .
H40A H 0.0625 0.6752 0.0220 0.091 Uiso 1 1 calc R . .
H40B H 0.1369 0.6632 0.1497 0.091 Uiso 1 1 calc R . .
H40C H 0.0744 0.6012 0.0861 0.091 Uiso 1 1 calc R . .
C50 C 0.2430(3) 0.7035(2) 0.1170(4) 0.0537(10) Uani 1 1 d . . .
H50A H 0.2961 0.6989 0.1537 0.081 Uiso 1 1 calc R . .
H50B H 0.2377 0.7130 0.1741 0.081 Uiso 1 1 calc R . .
H50C H 0.2212 0.7437 0.0629 0.081 Uiso 1 1 calc R . .
P1 P 0.0000 0.26249(7) 0.7500 0.0370(3) Uani 1 2 d SD . .
P2 P 0.0000 0.75161(8) 0.7500 0.0430(3) Uani 1 2 d SD . .
F11 F 0.0355(4) 0.1910(4) 0.8249(6) 0.0747(13) Uani 0.50 1 d PDU . 1
F12 F 0.0416(4) 0.2429(3) 0.6988(7) 0.0689(13) Uani 0.50 1 d PDU . 1
F13 F -0.0344(4) 0.3329(4) 0.6705(6) 0.0786(14) Uani 0.50 1 d PDU . 1
F21 F -0.0119(4) 0.7515(4) 0.6359(6) 0.0789(15) Uani 0.50 1 d PDU A 1
F22 F 0.0000 0.6669(4) 0.7500 0.096(3) Uani 0.50 2 d SPDU A 1
F23 F 0.0000 0.8391(4) 0.7500 0.085(3) Uani 0.50 2 d SPDU A 1
F24 F 0.0867(5) 0.7512(5) 0.8201(8) 0.134(3) Uani 0.50 1 d PDU A 1
F11 F 0.0707(4) 0.2173(4) 0.8566(6) 0.0747(13) Uani 0.50 1 d PU . 2
F12 F 0.0462(4) 0.2769(4) 0.7070(7) 0.0689(13) Uani 0.50 1 d PU . 2
F13 F -0.0720(4) 0.3046(4) 0.6468(6) 0.0786(14) Uani 0.50 1 d PU . 2
F21 F -0.0496(5) 0.7526(4) 0.6149(6) 0.0789(15) Uani 0.50 1 d PU A 2
F23 F 0.0526(4) 0.8126(4) 0.7640(6) 0.088(2) Uani 0.50 1 d PU A 2
F24 F 0.0519(6) 0.6882(5) 0.7633(8) 0.114(3) Uani 0.50 1 d PU 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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
C4 Cr1 C1 62.77(13) . .
C4 Cr1 C2 62.77(13) . .
C1 Cr1 C2 37.82(12) . .
C4 Cr1 C5 37.54(14) . .
C1 Cr1 C5 37.32(12) . .
C2 Cr1 C5 62.70(13) . .
C4 Cr1 C3 37.28(14) . .
C1 Cr1 C3 62.30(12) . .
C2 Cr1 C3 37.14(12) . .
C5 Cr1 C3 62.12(14) . .
C4 Cr1 S1 109.41(11) . .
C1 Cr1 S1 109.56(9) . .
C2 Cr1 S1 147.34(9) . .
C5 Cr1 S1 91.46(10) . .
C3 Cr1 S1 146.66(11) . .
C4 Cr1 S2 106.06(10) . .
C1 Cr1 S2 150.92(9) . .
C2 Cr1 S2 113.21(9) . .
C5 Cr1 S2 143.04(10) . .
C3 Cr1 S2 92.19(9) . .
S1 Cr1 S2 99.45(4) . .
C11 S1 Cr1 99.78(12) . .
C21 S2 Cr1 99.03(11) . .
N22 B1 N12 111.0(3) . .
C5 C1 C2 108.0(3) . .
C5 C1 C10 126.6(3) . .
C2 C1 C10 125.4(3) . .
C5 C1 Cr1 71.77(18) . .
C2 C1 Cr1 71.11(17) . .
C10 C1 Cr1 123.6(2) . .
C3 C2 C1 107.6(3) . .
C3 C2 C20 126.3(3) . .
C1 C2 C20 126.1(3) . .
C3 C2 Cr1 72.34(19) . .
C1 C2 Cr1 71.06(18) . .
C20 C2 Cr1 123.1(2) . .
C4 C3 C2 108.2(3) . .
C4 C3 C30 125.3(4) . .
C2 C3 C30 126.5(4) . .
C4 C3 Cr1 69.67(18) . .
C2 C3 Cr1 70.52(18) . .
C30 C3 Cr1 127.8(3) . .
C3 C4 C5 108.4(3) . .
C3 C4 C40 126.2(4) . .
C5 C4 C40 125.3(4) . .
C3 C4 Cr1 73.05(19) . .
C5 C4 Cr1 72.42(18) . .
C40 C4 Cr1 122.6(2) . .
C1 C5 C4 107.7(3) . .
C1 C5 C50 126.1(3) . .
C4 C5 C50 126.1(3) . .
C1 C5 Cr1 70.91(18) . .
C4 C5 Cr1 70.05(18) . .
C50 C5 Cr1 126.9(2) . .
N12 C11 N15 108.3(3) . .
N12 C11 S1 127.4(2) . .
N15 C11 S1 124.3(3) . .
C11 N12 C13 107.4(3) . .
C11 N12 B1 129.8(3) . .
C13 N12 B1 122.7(3) . .
C14 C13 N12 107.9(3) . .
C13 C14 N15 107.5(3) . .
C11 N15 C14 108.9(3) . .
C11 N15 C15 125.4(3) . .
C14 N15 C15 125.7(3) . .
N22 C21 N25 108.5(3) . .
N22 C21 S2 125.9(2) . .
N25 C21 S2 125.6(2) . .
C21 N22 C23 107.7(3) . .
C21 N22 B1 126.1(3) . .
C23 N22 B1 126.2(3) . .
C24 C23 N22 108.0(3) . .
C23 C24 N25 107.2(3) . .
C21 N25 C24 108.6(3) . .
C21 N25 C25 125.3(3) . .
C24 N25 C25 126.1(3) . .
F13 P1 F13 121.6(6) 2_556 .
F13 P1 F11 148.8(4) 2_556 2_556
F13 P1 F11 87.3(4) . 2_556
F13 P1 F11 87.3(4) 2_556 .
F13 P1 F11 148.8(4) . .
F11 P1 F11 68.2(5) 2_556 .
F13 P1 F13 31.7(3) 2_556 2_556
F13 P1 F13 93.5(4) . 2_556
F11 P1 F13 176.8(4) 2_556 2_556
F11 P1 F13 110.0(4) . 2_556
F13 P1 F13 93.5(4) 2_556 .
F13 P1 F13 31.7(3) . .
F11 P1 F13 110.0(4) 2_556 .
F11 P1 F13 176.8(4) . .
F13 P1 F13 72.0(5) 2_556 .
F13 P1 F12 77.0(4) 2_556 .
F13 P1 F12 93.6(4) . .
F11 P1 F12 90.7(4) 2_556 .
F11 P1 F12 105.2(4) . .
F13 P1 F12 92.3(4) 2_556 .
F13 P1 F12 72.0(4) . .
F13 P1 F12 93.6(4) 2_556 2_556
F13 P1 F12 77.0(4) . 2_556
F11 P1 F12 105.2(4) 2_556 2_556
F11 P1 F12 90.7(4) . 2_556
F13 P1 F12 72.0(4) 2_556 2_556
F13 P1 F12 92.3(4) . 2_556
F12 P1 F12 160.9(5) . 2_556
F13 P1 F11 176.9(4) 2_556 2_556
F13 P1 F11 60.0(4) . 2_556
F11 P1 F11 28.6(3) 2_556 2_556
F11 P1 F11 91.7(4) . 2_556
F13 P1 F11 151.0(4) 2_556 2_556
F13 P1 F11 87.3(4) . 2_556
F12 P1 F11 100.5(4) . 2_556
F12 P1 F11 89.3(4) 2_556 2_556
F13 P1 F11 60.0(4) 2_556 .
F13 P1 F11 176.9(4) . .
F11 P1 F11 91.7(4) 2_556 .
F11 P1 F11 28.6(3) . .
F13 P1 F11 87.3(4) 2_556 .
F13 P1 F11 151.0(4) . .
F12 P1 F11 89.3(4) . .
F12 P1 F11 100.5(4) 2_556 .
F11 P1 F11 118.4(5) 2_556 .
F13 P1 F12 91.1(4) 2_556 .
F13 P1 F12 101.4(4) . .
F11 P1 F12 70.1(4) 2_556 .
F11 P1 F12 88.5(3) . .
F13 P1 F12 112.7(4) 2_556 .
F13 P1 F12 88.4(3) . .
F12 P1 F12 22.6(3) . .
F12 P1 F12 175.2(4) 2_556 .
F11 P1 F12 85.9(4) 2_556 .
F11 P1 F12 81.0(4) . .
F13 P1 F12 101.4(4) 2_556 2_556
F13 P1 F12 91.1(4) . 2_556
F11 P1 F12 88.5(3) 2_556 2_556
F11 P1 F12 70.1(4) . 2_556
F13 P1 F12 88.4(3) 2_556 2_556
F13 P1 F12 112.7(4) . 2_556
F12 P1 F12 175.2(4) . 2_556
F12 P1 F12 22.6(3) 2_556 2_556
F11 P1 F12 81.0(4) 2_556 2_556
F11 P1 F12 85.9(4) . 2_556
F12 P1 F12 154.4(5) . 2_556
F22 P2 F24 89.7(3) . .
F22 P2 F24 89.7(3) . 2_556
F24 P2 F24 179.4(7) . 2_556
F22 P2 F23 135.7(3) . .
F24 P2 F23 50.4(4) . .
F24 P2 F23 130.2(5) 2_556 .
F22 P2 F23 135.7(3) . 2_556
F24 P2 F23 130.2(5) . 2_556
F24 P2 F23 50.4(4) 2_556 2_556
F23 P2 F23 88.7(6) . 2_556
F22 P2 F21 89.9(3) . .
F24 P2 F21 90.0(5) . .
F24 P2 F21 90.0(5) 2_556 .
F23 P2 F21 74.0(4) . .
F23 P2 F21 106.1(4) 2_556 .
F22 P2 F21 89.9(3) . 2_556
F24 P2 F21 90.0(5) . 2_556
F24 P2 F21 90.0(5) 2_556 2_556
F23 P2 F21 106.1(4) . 2_556
F23 P2 F21 74.0(4) 2_556 2_556
F21 P2 F21 179.9(5) . 2_556
F22 P2 F24 43.0(4) . 2_556
F24 P2 F24 128.4(6) . 2_556
F24 P2 F24 51.1(5) 2_556 2_556
F23 P2 F24 178.6(5) . 2_556
F23 P2 F24 92.7(5) 2_556 2_556
F21 P2 F24 105.8(4) . 2_556
F21 P2 F24 74.1(4) 2_556 2_556
F22 P2 F24 43.0(4) . .
F24 P2 F24 51.1(5) . .
F24 P2 F24 128.4(6) 2_556 .
F23 P2 F24 92.7(5) . .
F23 P2 F24 178.6(5) 2_556 .
F21 P2 F24 74.1(4) . .
F21 P2 F24 105.8(4) 2_556 .
F24 P2 F24 85.9(8) 2_556 .
F22 P2 F21 90.7(3) . .
F24 P2 F21 115.8(5) . .
F24 P2 F21 64.2(5) 2_556 .
F23 P2 F21 91.2(4) . .
F23 P2 F21 87.8(4) 2_556 .
F21 P2 F21 25.8(4) . .
F21 P2 F21 154.2(4) 2_556 .
F24 P2 F21 89.0(5) 2_556 .
F24 P2 F21 91.9(4) . .
F22 P2 F21 90.7(3) . 2_556
F24 P2 F21 64.2(5) . 2_556
F24 P2 F21 115.8(5) 2_556 2_556
F23 P2 F21 87.8(4) . 2_556
F23 P2 F21 91.2(4) 2_556 2_556
F21 P2 F21 154.2(4) . 2_556
F21 P2 F21 25.8(4) 2_556 2_556
F24 P2 F21 91.9(4) 2_556 2_556
F24 P2 F21 89.0(5) . 2_556
F21 P2 F21 178.7(6) . 2_556
F22 P2 F23 180.000(3) . .
F24 P2 F23 90.3(3) . .
F24 P2 F23 90.3(3) 2_556 .
F23 P2 F23 44.3(3) . .
F23 P2 F23 44.3(3) 2_556 .
F21 P2 F23 90.1(3) . .
F21 P2 F23 90.1(3) 2_556 .
F24 P2 F23 137.0(4) 2_556 .
F24 P2 F23 137.0(4) . .
F21 P2 F23 89.3(3) . .
F21 P2 F23 89.3(3) 2_556 .
P1 F11 F11 55.9(3) . 2_556
F13 F11 P1 58.9(3) 2_556 .
P1 F13 F11 61.1(3) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 C4 2.193(3) .
Cr1 C1 2.212(3) .
Cr1 C2 2.213(3) .
Cr1 C5 2.224(3) .
Cr1 C3 2.237(3) .
Cr1 S1 2.3616(10) .
Cr1 S2 2.3805(9) .
S1 C11 1.722(3) .
S2 C21 1.717(3) .
B1 N22 1.537(5) .
B1 N12 1.549(5) .
C1 C5 1.420(5) .
C1 C2 1.434(5) .
C1 C10 1.502(5) .
C2 C3 1.417(5) .
C2 C20 1.494(5) .
C3 C4 1.416(5) .
C3 C30 1.501(5) .
C4 C5 1.421(5) .
C4 C40 1.515(5) .
C5 C50 1.491(5) .
C11 N12 1.341(4) .
C11 N15 1.346(4) .
N12 C13 1.389(4) .
C13 C14 1.341(6) .
C14 N15 1.362(5) .
C15 N15 1.462(5) .
C21 N22 1.342(4) .
C21 N25 1.342(4) .
N22 C23 1.388(4) .
C23 C24 1.340(5) .
C24 N25 1.380(5) .
C25 N25 1.470(4) .
P1 F13 1.575(7) 2_556
P1 F13 1.575(6) .
P1 F11 1.575(6) 2_556
P1 F11 1.575(6) .
P1 F13 1.586(6) 2_556
P1 F13 1.586(6) .
P1 F12 1.586(8) .
P1 F12 1.586(8) 2_556
P1 F11 1.610(7) 2_556
P1 F11 1.610(7) .
P1 F12 1.614(8) .
P1 F12 1.614(8) 2_556
P2 F22 1.546(8) .
P2 F24 1.550(8) .
P2 F24 1.550(8) 2_556
P2 F23 1.555(6) .
P2 F23 1.555(6) 2_556
P2 F21 1.578(6) .
P2 F21 1.578(6) 2_556
P2 F24 1.580(8) 2_556
P2 F24 1.580(8) .
P2 F21 1.594(7) .
P2 F21 1.594(7) 2_556
P2 F23 1.596(8) .
F11 F11 1.766(13) 2_556
F11 F13 1.594(10) 2_556
F13 F11 1.594(10) 2_556
