#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:35:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179978 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/72/7027293.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027293
loop_
_publ_author_name
'Paul, Rowena L.'
'Amoroso, Angelo J.'
'Jones, Peter L.'
'Couchman, Samantha M.'
'Reeves, Zoe R.'
'Rees, Leigh H.'
'Jeffery, John C.'
'McCleverty, Jon A.'
'Ward, Michael D.'
_publ_section_title
;
 Effects of metal co-ordination geometry on self-assembly: a monomeric
 complex with trigonal prismatic metal co-ordination vs. tetrameric
 complexes with octahedral metal co-ordination
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1563
_journal_paper_doi               10.1039/a900805e
_journal_year                    1999
_chemical_formula_sum            'C120 H149 B4 F18 N36 O13 P3 Zn4'
_chemical_formula_weight         3043.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   26.528(6)
_cell_length_b                   26.528(6)
_cell_length_c                   36.863(13)
_cell_measurement_temperature    293(2)
_cell_volume                     22466(11)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/V 4-circle diffractometer'
_diffrn_measurement_method       'ω 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  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            7038
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         2.59
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   'azimuthal scans'
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       clear
_exptl_crystal_F_000             9432
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.659
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.047
_refine_ls_goodness_of_fit_obs   1.111
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         6469
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_restrained_S_obs      1.111
_refine_ls_R_factor_all          0.1281
_refine_ls_R_factor_obs          0.0828
_refine_ls_shift/esd_max         0.179
_refine_ls_shift/esd_mean        0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1480P)²+70.7000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2662
_refine_ls_wR_factor_obs         0.2166
_reflns_number_observed          4253
_reflns_number_total             6532
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            900805esup1.cif
_cod_data_source_block           j
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1480P)^2^+70.7000P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1480P)^2^+70.7000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        22466.2(107)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7027293
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.90196(4) 0.84489(4) 0.24504(3) 0.0580(3) Uani 1 d .
Zn2 Zn 1.0000 1.0000 0.38209(4) 0.0530(4) Uani 1 d S
B11 B 0.8958(4) 0.9624(4) 0.3020(2) 0.051(2) Uani 1 d .
H11 H 0.9353(4) 0.9764(4) 0.2929(2) 0.061 Uiso 1 calc R
N110 N 0.8753(3) 0.7609(3) 0.2755(2) 0.070(2) Uani 1 d .
C111 C 0.8789(5) 0.7139(4) 0.2661(3) 0.087(3) Uani 1 d .
H111 H 0.8978(5) 0.7155(4) 0.2445(3) 0.105 Uiso 1 calc R
C112 C 0.8573(6) 0.6647(5) 0.2856(4) 0.103(4) Uani 1 d .
H112 H 0.8620(6) 0.6340(5) 0.2779(4) 0.123 Uiso 1 calc R
C113 C 0.8283(6) 0.6605(5) 0.3169(4) 0.118(4) Uani 1 d .
H113 H 0.8118(6) 0.6266(5) 0.3307(4) 0.142 Uiso 1 calc R
C114 C 0.8244(5) 0.7085(4) 0.3276(3) 0.101(3) Uani 1 d .
H114 H 0.8055(5) 0.7074(4) 0.3491(3) 0.121 Uiso 1 calc R
C115 C 0.8481(4) 0.7578(4) 0.3066(3) 0.069(2) Uani 1 d .
C120 C 0.8457(4) 0.8093(3) 0.3170(2) 0.061(2) Uani 1 d .
C121 C 0.8167(4) 0.8181(4) 0.3455(2) 0.072(2) Uani 1 d .
H121 H 0.7922(4) 0.7913(4) 0.3626(2) 0.087 Uiso 1 calc R
C122 C 0.8325(4) 0.8752(4) 0.3424(2) 0.067(2) Uani 1 d .
H122 H 0.8200(4) 0.8945(4) 0.3578(2) 0.080 Uiso 1 calc R
N123 N 0.8679(3) 0.8994(3) 0.3147(2) 0.053(2) Uani 1 d .
N124 N 0.8764(3) 0.8579(3) 0.2980(2) 0.054(2) Uani 1 d .
N130 N 0.8088(3) 0.8031(3) 0.2269(2) 0.066(2) Uani 1 d .
C131 C 0.7634(4) 0.7518(4) 0.2376(3) 0.081(3) Uani 1 d .
H131 H 0.7685(4) 0.7320(4) 0.2568(3) 0.097 Uiso 1 calc R
C132 C 0.7108(5) 0.7284(5) 0.2216(4) 0.102(4) Uani 1 d .
H132 H 0.6804(5) 0.6926(5) 0.2293(4) 0.122 Uiso 1 calc R
C133 C 0.7031(5) 0.7584(6) 0.1936(4) 0.107(4) Uani 1 d .
H133 H 0.6674(5) 0.7423(6) 0.1818(4) 0.128 Uiso 1 calc R
C134 C 0.7475(4) 0.8116(5) 0.1831(3) 0.089(3) Uani 1 d .
H134 H 0.7422(4) 0.8331(5) 0.1651(3) 0.107 Uiso 1 calc R
C135 C 0.8011(4) 0.8325(4) 0.2002(3) 0.071(2) Uani 1 d .
C140 C 0.8515(4) 0.8876(4) 0.1899(2) 0.065(2) Uani 1 d .
C141 C 0.8583(4) 0.9254(4) 0.1624(3) 0.081(3) Uani 1 d .
H141 H 0.8309(4) 0.9208(4) 0.1451(3) 0.097 Uiso 1 calc R
C142 C 0.9130(4) 0.9706(5) 0.1659(2) 0.077(3) Uani 1 d .
H142 H 0.9307(4) 1.0031(5) 0.1510(2) 0.092 Uiso 1 calc R
N143 N 0.9379(3) 0.9604(3) 0.1951(2) 0.060(2) Uani 1 d .
N144 N 0.8996(3) 0.9083(3) 0.2101(2) 0.057(2) Uani 1 d .
N150 N 0.9140(3) 0.7995(3) 0.1963(2) 0.074(2) Uani 1 d .
C151 C 0.8770(5) 0.7704(5) 0.1694(3) 0.100(3) Uani 1 d .
H151 H 0.8414(5) 0.7694(5) 0.1685(3) 0.121 Uiso 1 calc R
C152 C 0.8900(6) 0.7415(6) 0.1426(3) 0.123(5) Uani 1 d .
H152 H 0.8641(6) 0.7222(6) 0.1237(3) 0.148 Uiso 1 calc R
C153 C 0.9411(6) 0.7424(6) 0.1448(3) 0.118(4) Uani 1 d .
H153 H 0.9500(6) 0.7220(6) 0.1278(3) 0.142 Uiso 1 calc R
C154 C 0.9790(5) 0.7719(5) 0.1709(3) 0.091(3) Uani 1 d .
H154 H 1.0148(5) 0.7736(5) 0.1717(3) 0.109 Uiso 1 calc R
C155 C 0.9646(4) 0.8004(4) 0.1970(2) 0.066(2) Uani 1 d .
C160 C 1.0033(4) 0.8322(3) 0.2264(2) 0.060(2) Uani 1 d .
C161 C 1.0557(4) 0.8379(4) 0.2366(3) 0.073(2) Uani 1 d .
H161 H 1.0747(4) 0.8202(4) 0.2261(3) 0.088 Uiso 1 calc R
C162 C 1.0739(4) 0.8749(4) 0.2654(2) 0.065(2) Uani 1 d .
H162 H 1.1082(4) 0.8868(4) 0.2783(2) 0.078 Uiso 1 calc R
N163 N 1.0348(3) 0.8915(3) 0.2722(2) 0.054(2) Uani 1 d .
N164 N 0.9904(3) 0.8657(3) 0.2480(2) 0.054(2) Uani 1 d .
B12 B 1.0000 1.0000 0.2108(4) 0.058(4) Uani 1 d S
C240 C 0.9233(3) 1.0509(3) 0.3835(2) 0.055(2) Uani 1 d .
C241 C 0.8720(4) 1.0479(4) 0.3726(2) 0.065(2) Uani 1 d .
H241 H 0.8524(4) 1.0646(4) 0.3838(2) 0.078 Uiso 1 calc R
C242 C 0.8565(3) 1.0153(4) 0.3419(2) 0.062(2) Uani 1 d .
H242 H 0.8233(3) 1.0054(4) 0.3283(2) 0.075 Uiso 1 calc R
N243 N 0.8960(3) 0.9991(3) 0.3340(2) 0.053(2) Uani 1 d .
N244 N 0.9381(2) 1.0209(2) 0.36033(15) 0.0473(14) Uani 1 d .
N210 N 0.9300(3) 0.9344(3) 0.4195(2) 0.061(2) Uani 1 d .
C211 C 0.9189(3) 0.8805(3) 0.4132(2) 0.054(2) Uani 1 d .
C212 C 0.8783(4) 0.8337(4) 0.4336(2) 0.073(2) Uani 1 d .
H212 H 0.8709(4) 0.7963(4) 0.4286(2) 0.088 Uiso 1 calc R
C213 C 0.8491(5) 0.8432(5) 0.4613(3) 0.087(3) Uani 1 d .
H213 H 0.8218(5) 0.8123(5) 0.4752(3) 0.104 Uiso 1 calc R
C214 C 0.8609(5) 0.8980(5) 0.4678(3) 0.089(3) Uani 1 d .
H214 H 0.8418(5) 0.9054(5) 0.4864(3) 0.107 Uiso 1 calc R
C215 C 0.9014(4) 0.9431(4) 0.4467(2) 0.082(3) Uani 1 d .
H215 H 0.9092(4) 0.9807(4) 0.4515(2) 0.099 Uiso 1 calc R
H1 H 1.0000 1.0000 0.2434(30) 0.042(29) Uiso 1 d S
P121 P 0.1295(2) 0.7700(2) 0.13292(10) 0.1130(12) Uani 1 d .
F121 F 0.1928(5) 0.8142(7) 0.1431(4) 0.274(8) Uani 1 d .
F122 F 0.1155(5) 0.8200(5) 0.1305(4) 0.238(6) Uani 1 d .
F123 F 0.0667(4) 0.7334(5) 0.1230(4) 0.256(7) Uani 1 d .
F124 F 0.1522(7) 0.7280(6) 0.1345(4) 0.259(7) Uani 1 d .
F125 F 0.1490(6) 0.7791(7) 0.0933(3) 0.227(6) Uani 1 d .
F126 F 0.1123(7) 0.7648(11) 0.1708(3) 0.345(12) Uani 1 d .
C1 C 0.7227(22) 0.6971(19) 0.1155(11) 0.364(20) Uiso 1 d .
C2 C 0.6594(21) 0.6717(18) 0.1058(11) 0.336(19) Uiso 1 d .
C3 C 0.6398(23) 0.6944(23) 0.0806(14) 0.415(26) Uiso 1 d .
C4 C 0.6985(15) 0.8807(15) 0.3620(9) 0.299(14) Uiso 1 d .
C5 C 0.7048(14) 0.8398(15) 0.3975(9) 0.276(13) Uiso 1 d .
C6 C 0.7378(15) 0.9003(16) 0.4157(9) 0.296(14) Uiso 1 d .
C7 C 0.6802(26) 1.0706(28) 0.3721(16) 0.505(33) Uiso 1 d .
C8 C 0.6985(18) 1.0222(21) 0.3560(12) 0.356(20) Uiso 1 d .
C9 C 0.6921(18) 0.9725(19) 0.3297(12) 0.357(20) Uiso 1 d .
C11 C 0.8491(49) 0.5215(44) 0.2422(26) 0.642(58) Uiso 1 d .
C10 C 0.8797(30) 0.4988(29) 0.2737(19) 0.527(37) Uiso 1 d .
C12 C 0.7902(53) 0.4777(48) 0.2602(29) 0.722(68) Uiso 1 d .
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'
Zn Zn 0.2839 1.4301 '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'
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
N164 Zn1 N144 106.7(2) . .
N164 Zn1 N124 107.9(2) . .
N144 Zn1 N124 106.5(2) . .
N164 Zn1 N130 160.4(2) . .
N144 Zn1 N130 75.6(3) . .
N124 Zn1 N130 89.6(2) . .
N164 Zn1 N110 89.5(3) . .
N144 Zn1 N110 161.9(2) . .
N124 Zn1 N110 74.9(3) . .
N130 Zn1 N110 86.4(3) . .
N164 Zn1 N150 75.5(2) . .
N144 Zn1 N150 90.4(3) . .
N124 Zn1 N150 160.4(3) . .
N130 Zn1 N150 85.0(3) . .
N110 Zn1 N150 85.9(3) . .
N244 Zn2 N244 106.7(2) 3_675 2_765
N244 Zn2 N244 106.7(2) 3_675 .
N244 Zn2 N244 106.7(2) 2_765 .
N244 Zn2 N210 162.0(2) 3_675 .
N244 Zn2 N210 75.4(2) 2_765 .
N244 Zn2 N210 89.2(2) . .
N244 Zn2 N210 89.2(2) 3_675 3_675
N244 Zn2 N210 162.0(2) 2_765 3_675
N244 Zn2 N210 75.4(2) . 3_675
N210 Zn2 N210 86.9(2) . 3_675
N244 Zn2 N210 75.4(2) 3_675 2_765
N244 Zn2 N210 89.2(2) 2_765 2_765
N244 Zn2 N210 162.0(2) . 2_765
N210 Zn2 N210 86.9(2) . 2_765
N210 Zn2 N210 86.9(2) 3_675 2_765
N123 B11 N243 107.8(6) . .
N123 B11 N163 107.7(6) . 3_675
N243 B11 N163 108.0(6) . 3_675
C115 N110 C111 116.8(8) . .
C115 N110 Zn1 112.3(6) . .
C111 N110 Zn1 130.7(7) . .
C112 C111 N110 124.6(10) . .
C111 C112 C113 119.1(10) . .
C112 C113 C114 117.7(11) . .
C115 C114 C113 120.3(11) . .
N110 C115 C114 121.4(9) . .
N110 C115 C120 116.5(8) . .
C114 C115 C120 122.0(9) . .
N124 C120 C121 111.0(7) . .
N124 C120 C115 118.5(8) . .
C121 C120 C115 130.5(8) . .
C122 C121 C120 103.8(8) . .
N123 C122 C121 110.7(8) . .
C122 N123 N124 108.7(6) . .
C122 N123 B11 127.5(7) . .
N124 N123 B11 123.9(6) . .
C120 N124 N123 105.9(6) . .
C120 N124 Zn1 114.5(5) . .
N123 N124 Zn1 136.6(5) . .
C135 N130 C131 119.0(8) . .
C135 N130 Zn1 112.5(6) . .
C131 N130 Zn1 128.2(7) . .
C132 C131 N130 122.4(11) . .
C131 C132 C133 118.6(11) . .
C134 C133 C132 120.6(11) . .
C133 C134 C135 117.5(11) . .
N130 C135 C134 121.8(9) . .
N130 C135 C140 116.7(8) . .
C134 C135 C140 121.5(9) . .
N144 C140 C141 111.2(8) . .
N144 C140 C135 118.5(8) . .
C141 C140 C135 130.3(8) . .
C142 C141 C140 105.6(8) . .
C141 C142 N143 108.3(9) . .
C142 N143 N144 109.4(7) . .
C142 N143 B12 128.1(8) . .
N144 N143 B12 122.5(7) . .
C140 N144 N143 105.6(6) . .
C140 N144 Zn1 114.1(5) . .
N143 N144 Zn1 137.8(5) . .
C155 N150 C151 117.9(8) . .
C155 N150 Zn1 112.5(5) . .
C151 N150 Zn1 129.5(7) . .
N150 C151 C152 122.1(11) . .
C153 C152 C151 118.1(11) . .
C154 C153 C152 120.8(11) . .
C153 C154 C155 119.4(10) . .
N150 C155 C154 121.8(9) . .
N150 C155 C160 116.3(7) . .
C154 C155 C160 121.9(9) . .
N164 C160 C161 109.8(7) . .
N164 C160 C155 119.0(7) . .
C161 C160 C155 131.1(7) . .
C162 C161 C160 105.6(7) . .
N163 C162 C161 109.3(8) . .
C162 N163 N164 109.3(6) . .
C162 N163 B11 127.4(7) . 2_765
N164 N163 B11 123.3(6) . 2_765
N163 N164 C160 106.0(6) . .
N163 N164 Zn1 137.0(5) . .
C160 N164 Zn1 113.9(5) . .
N143 B12 N143 106.9(7) 3_675 .
N143 B12 N143 106.9(6) 3_675 2_765
N143 B12 N143 106.9(7) . 2_765
N244 C240 C241 110.5(7) . .
N244 C240 C211 118.5(7) . 3_675
C241 C240 C211 130.9(7) . 3_675
C242 C241 C240 104.7(7) . .
N243 C242 C241 110.4(7) . .
C242 N243 N244 108.3(6) . .
C242 N243 B11 127.8(6) . .
N244 N243 B11 123.9(6) . .
C240 N244 N243 106.2(6) . .
C240 N244 Zn2 113.8(5) . .
N243 N244 Zn2 136.7(4) . .
C211 N210 C215 118.4(7) . .
C211 N210 Zn2 111.9(5) . .
C215 N210 Zn2 129.6(6) . .
N210 C211 C212 121.4(7) . .
N210 C211 C240 117.1(7) . 2_765
C212 C211 C240 121.5(8) . 2_765
C213 C212 C211 119.6(9) . .
C214 C213 C212 118.7(9) . .
C213 C214 C215 119.7(9) . .
N210 C215 C214 122.2(9) . .
F126 P121 F123 88.8(9) . .
F126 P121 F124 96.5(11) . .
F123 P121 F124 104.8(9) . .
F126 P121 F125 177.0(13) . .
F123 P121 F125 92.7(8) . .
F124 P121 F125 85.6(7) . .
F126 P121 F121 90.5(10) . .
F123 P121 F121 172.8(9) . .
F124 P121 F121 82.4(8) . .
F125 P121 F121 87.6(8) . .
F126 P121 F122 86.6(10) . .
F123 P121 F122 82.9(7) . .
F124 P121 F122 171.7(8) . .
F125 P121 F122 91.0(8) . .
F121 P121 F122 89.9(8) . .
C3 C2 C1 123.9(48) . .
C6 C5 C4 82.0(23) . .
C9 C8 C7 154.0(43) . .
C12 C11 C10 85.6(71) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N164 2.126(6) .
Zn1 N144 2.146(7) .
Zn1 N124 2.149(6) .
Zn1 N130 2.246(7) .
Zn1 N110 2.269(7) .
Zn1 N150 2.272(7) .
Zn2 N244 2.134(6) 3_675
Zn2 N244 2.134(6) 2_765
Zn2 N244 2.134(6) .
Zn2 N210 2.270(6) .
Zn2 N210 2.270(6) 3_675
Zn2 N210 2.270(6) 2_765
B11 N123 1.526(10) .
B11 N243 1.529(10) .
B11 N163 1.536(11) 3_675
N110 C115 1.334(11) .
N110 C111 1.345(11) .
C111 C112 1.342(14) .
C112 C113 1.36(2) .
C113 C114 1.39(2) .
C114 C115 1.372(13) .
C115 C120 1.452(12) .
C120 N124 1.330(10) .
C120 C121 1.388(11) .
C121 C122 1.358(12) .
C122 N123 1.319(10) .
N123 N124 1.375(8) .
N130 C135 1.332(11) .
N130 C131 1.348(11) .
C131 C132 1.345(14) .
C132 C133 1.38(2) .
C133 C134 1.37(2) .
C134 C135 1.393(13) .
C135 C140 1.454(12) .
C140 N144 1.334(10) .
C140 C141 1.371(12) .
C141 C142 1.350(13) .
C142 N143 1.357(10) .
N143 N144 1.358(9) .
N143 B12 1.556(9) .
N150 C155 1.332(11) .
N150 C151 1.335(12) .
C151 C152 1.397(15) .
C152 C153 1.35(2) .
C153 C154 1.328(14) .
C154 C155 1.390(12) .
C155 C160 1.439(12) .
C160 N164 1.361(9) .
C160 C161 1.373(11) .
C161 C162 1.359(12) .
C162 N163 1.338(10) .
N163 N164 1.359(8) .
N163 B11 1.536(11) 2_765
B12 N143 1.556(9) 3_675
B12 N143 1.556(9) 2_765
C240 N244 1.351(9) .
C240 C241 1.385(11) .
C240 C211 1.435(10) 3_675
C241 C242 1.355(11) .
C242 N243 1.346(9) .
N243 N244 1.371(8) .
N210 C211 1.328(10) .
N210 C215 1.344(11) .
C211 C212 1.390(11) .
C211 C240 1.435(10) 2_765
C212 C213 1.379(13) .
C213 C214 1.347(14) .
C214 C215 1.380(13) .
P121 F126 1.453(11) .
P121 F123 1.495(9) .
P121 F124 1.512(11) .
P121 F125 1.528(10) .
P121 F121 1.538(11) .
P121 F122 1.547(12) .
C1 C2 1.51(5) .
C2 C3 1.35(5) .
C4 C5 1.76(4) .
C5 C6 1.54(4) .
C7 C8 1.69(6) .
C8 C9 1.58(5) .
C11 C12 1.55(12) .
C11 C10 1.69(10) .
