#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:23:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179720 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/22/7002299.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_7002299
loop_
_publ_author_name
'Jura, Marek'
'Levason, William'
'Reid, Gillian'
'Webster, Michael'
_publ_section_title
;
 Preparation and properties of cyclic and open-chain Sb/N-donor ligands
;
_journal_issue                   37
_journal_name_full               'Dalton Transactions'
_journal_page_first              7811
_journal_page_last               7819
_journal_paper_doi               10.1039/b909226a
_journal_year                    2009
_chemical_formula_moiety         'C38 H54 Cu N2 Sb4 1+, B F4 1-'
_chemical_formula_structural     '((C19 H27 N Sb2)2 Cu) (B F4)'
_chemical_formula_sum            'C38 H54 B Cu F4 N2 Sb4'
_chemical_formula_weight         1176.18
_chemical_name_systematic
;
bis(bis(N-(2-(dimethylstibanyl)benzyl))-methanamine-Sb,Sb')-
copper(I) tetrafluoroborate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-01-07
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.588(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.517(3)
_cell_length_b                   20.044(4)
_cell_length_c                   14.2102(15)
_cell_measurement_reflns_used    50216
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     4313.5(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0959
_diffrn_reflns_av_sigmaI/netI    0.0870
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            53978
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.95
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.003
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'G.M. Sheldrick, (2007). SADABS. Version 2007/2. Bruker AXS Inc.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.069
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         9867
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0219P)²+14.1381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                6854
_reflns_number_total             9867
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b909226a.txt
_cod_data_source_block           08mj40
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7002299
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Cu1 Cu 0.24654(5) 0.39887(4) 0.72361(5) 0.02030(17) Uani 1 1 d . . .
Sb1 Sb 0.28232(3) 0.48338(2) 0.60559(3) 0.02117(10) Uani 1 1 d . . .
Sb2 Sb 0.36958(3) 0.31420(2) 0.73613(3) 0.02248(10) Uani 1 1 d . . .
Sb3 Sb 0.10134(3) 0.34122(2) 0.65573(3) 0.02705(11) Uani 1 1 d . . .
Sb4 Sb 0.23351(3) 0.44502(2) 0.88625(3) 0.02312(11) Uani 1 1 d . . .
N1 N 0.4655(3) 0.5042(2) 0.7315(3) 0.0210(11) Uani 1 1 d . . .
N2 N 0.0589(3) 0.5086(3) 0.8014(3) 0.0236(11) Uani 1 1 d . . .
C1 C 0.3696(5) 0.4686(3) 0.5113(4) 0.0330(16) Uani 1 1 d . . .
H1A H 0.3908 0.5120 0.4938 0.049 Uiso 1 1 calc R . .
H1B H 0.3383 0.4457 0.4529 0.049 Uiso 1 1 calc R . .
H1C H 0.4199 0.4415 0.5437 0.049 Uiso 1 1 calc R . .
C2 C 0.1694(5) 0.5010(3) 0.4921(5) 0.0389(18) Uani 1 1 d . . .
H2A H 0.1831 0.5359 0.4494 0.058 Uiso 1 1 calc R . .
H2B H 0.1198 0.5153 0.5197 0.058 Uiso 1 1 calc R . .
H2C H 0.1536 0.4598 0.4553 0.058 Uiso 1 1 calc R . .
C3 C 0.3065(4) 0.5854(3) 0.6515(4) 0.0209(13) Uani 1 1 d . . .
C4 C 0.2576(4) 0.6366(3) 0.5994(4) 0.0279(15) Uani 1 1 d . . .
H4 H 0.2139 0.6266 0.5432 0.033 Uiso 1 1 calc R . .
C5 C 0.2723(4) 0.7029(3) 0.6292(5) 0.0302(15) Uani 1 1 d . . .
H5 H 0.2387 0.7376 0.5932 0.036 Uiso 1 1 calc R . .
C6 C 0.3352(4) 0.7179(3) 0.7105(5) 0.0330(17) Uani 1 1 d . . .
H6 H 0.3455 0.7630 0.7302 0.040 Uiso 1 1 calc R . .
C7 C 0.3833(4) 0.6675(3) 0.7635(4) 0.0257(14) Uani 1 1 d . . .
H7 H 0.4265 0.6783 0.8197 0.031 Uiso 1 1 calc R . .
C8 C 0.3695(4) 0.6007(3) 0.7357(4) 0.0222(13) Uani 1 1 d . . .
C9 C 0.4238(4) 0.5469(3) 0.7932(4) 0.0228(13) Uani 1 1 d . . .
H9A H 0.4701 0.5673 0.8440 0.027 Uiso 1 1 calc R . .
H9B H 0.3856 0.5192 0.8251 0.027 Uiso 1 1 calc R . .
C10 C 0.5264(4) 0.5451(3) 0.6893(5) 0.0313(16) Uani 1 1 d . . .
H10A H 0.5747 0.5611 0.7407 0.047 Uiso 1 1 calc R . .
H10B H 0.4944 0.5833 0.6554 0.047 Uiso 1 1 calc R . .
H10C H 0.5506 0.5180 0.6437 0.047 Uiso 1 1 calc R . .
C11 C 0.5110(4) 0.4477(3) 0.7859(4) 0.0242(13) Uani 1 1 d . . .
H11A H 0.4716 0.4265 0.8235 0.029 Uiso 1 1 calc R . .
H11B H 0.5642 0.4638 0.8319 0.029 Uiso 1 1 calc R . .
C12 C 0.5377(4) 0.3963(3) 0.7190(4) 0.0234(14) Uani 1 1 d . . .
C13 C 0.6191(4) 0.4044(3) 0.6929(4) 0.0290(15) Uani 1 1 d . . .
H13 H 0.6599 0.4368 0.7249 0.035 Uiso 1 1 calc R . .
C14 C 0.6408(5) 0.3652(3) 0.6200(5) 0.0351(17) Uani 1 1 d . . .
H14 H 0.6962 0.3708 0.6029 0.042 Uiso 1 1 calc R . .
C15 C 0.5821(4) 0.3188(3) 0.5735(5) 0.0321(16) Uani 1 1 d . . .
H15 H 0.5944 0.2950 0.5201 0.039 Uiso 1 1 calc R . .
C16 C 0.5037(4) 0.3062(3) 0.6047(4) 0.0278(15) Uani 1 1 d . . .
H16 H 0.4650 0.2719 0.5750 0.033 Uiso 1 1 calc R . .
C17 C 0.4821(4) 0.3440(3) 0.6797(4) 0.0206(13) Uani 1 1 d . . .
C18 C 0.4461(5) 0.2768(4) 0.8694(4) 0.0373(17) Uani 1 1 d . . .
H18A H 0.4082 0.2502 0.9019 0.056 Uiso 1 1 calc R . .
H18B H 0.4711 0.3143 0.9108 0.056 Uiso 1 1 calc R . .
H18C H 0.4940 0.2488 0.8566 0.056 Uiso 1 1 calc R . .
C19 C 0.3439(5) 0.2202(3) 0.6648(5) 0.0367(17) Uani 1 1 d . . .
H19A H 0.3221 0.2275 0.5955 0.055 Uiso 1 1 calc R . .
H19B H 0.2993 0.1960 0.6907 0.055 Uiso 1 1 calc R . .
H19C H 0.3985 0.1940 0.6755 0.055 Uiso 1 1 calc R . .
C20 C 0.0947(5) 0.2374(3) 0.6308(5) 0.0445(19) Uani 1 1 d . . .
H20A H 0.1239 0.2139 0.6896 0.067 Uiso 1 1 calc R . .
H20B H 0.1243 0.2265 0.5785 0.067 Uiso 1 1 calc R . .
H20C H 0.0327 0.2235 0.6126 0.067 Uiso 1 1 calc R . .
C21 C 0.0143(5) 0.3668(4) 0.5209(5) 0.0443(19) Uani 1 1 d . . .
H21A H 0.0424 0.3552 0.4676 0.066 Uiso 1 1 calc R . .
H21B H 0.0020 0.4148 0.5195 0.066 Uiso 1 1 calc R . .
H21C H -0.0411 0.3419 0.5141 0.066 Uiso 1 1 calc R . .
C22 C 0.0056(4) 0.3496(3) 0.7441(4) 0.0292(15) Uani 1 1 d . . .
C23 C -0.0157(4) 0.2918(3) 0.7905(5) 0.0379(17) Uani 1 1 d . . .
H23 H 0.0150 0.2513 0.7860 0.046 Uiso 1 1 calc R . .
C24 C -0.0817(5) 0.2940(4) 0.8428(6) 0.053(2) Uani 1 1 d . . .
H24 H -0.0944 0.2551 0.8757 0.063 Uiso 1 1 calc R . .
C25 C -0.1286(5) 0.3511(4) 0.8477(6) 0.054(2) Uani 1 1 d . . .
H25 H -0.1752 0.3515 0.8814 0.065 Uiso 1 1 calc R . .
C26 C -0.1076(5) 0.4082(4) 0.8033(5) 0.0426(19) Uani 1 1 d . . .
H26 H -0.1417 0.4475 0.8044 0.051 Uiso 1 1 calc R . .
C27 C -0.0363(4) 0.4094(4) 0.7562(5) 0.0327(16) Uani 1 1 d . . .
C28 C -0.0061(4) 0.4760(3) 0.7226(4) 0.0294(15) Uani 1 1 d . . .
H28A H 0.0211 0.4685 0.6666 0.035 Uiso 1 1 calc R . .
H28B H -0.0578 0.5056 0.7019 0.035 Uiso 1 1 calc R . .
C29 C 0.0138(4) 0.5374(3) 0.8741(4) 0.0317(16) Uani 1 1 d . . .
H29A H 0.0576 0.5584 0.9258 0.048 Uiso 1 1 calc R . .
H29B H -0.0168 0.5019 0.9012 0.048 Uiso 1 1 calc R . .
H29C H -0.0291 0.5710 0.8434 0.048 Uiso 1 1 calc R . .
C30 C 0.1046(4) 0.5618(3) 0.7610(4) 0.0276(15) Uani 1 1 d . . .
H30A H 0.0617 0.5967 0.7321 0.033 Uiso 1 1 calc R . .
H30B H 0.1316 0.5434 0.7095 0.033 Uiso 1 1 calc R . .
C31 C 0.1757(4) 0.5923(3) 0.8398(4) 0.0241(14) Uani 1 1 d . . .
C32 C 0.1815(4) 0.6614(3) 0.8488(5) 0.0296(15) Uani 1 1 d . . .
H32 H 0.1408 0.6884 0.8053 0.035 Uiso 1 1 calc R . .
C33 C 0.2447(4) 0.6915(3) 0.9192(5) 0.0284(15) Uani 1 1 d . . .
H33 H 0.2484 0.7388 0.9236 0.034 Uiso 1 1 calc R . .
C34 C 0.3028(4) 0.6520(3) 0.9834(5) 0.0317(16) Uani 1 1 d . . .
H34 H 0.3461 0.6721 1.0328 0.038 Uiso 1 1 calc R . .
C35 C 0.2980(4) 0.5826(3) 0.9758(4) 0.0268(14) Uani 1 1 d . . .
H35 H 0.3385 0.5561 1.0203 0.032 Uiso 1 1 calc R . .
C36 C 0.2351(4) 0.5514(3) 0.9044(4) 0.0237(14) Uani 1 1 d . . .
C37 C 0.3521(4) 0.4254(3) 0.9911(5) 0.0333(16) Uani 1 1 d . . .
H37A H 0.3463 0.4429 1.0538 0.050 Uiso 1 1 calc R . .
H37B H 0.4019 0.4471 0.9715 0.050 Uiso 1 1 calc R . .
H37C H 0.3623 0.3771 0.9960 0.050 Uiso 1 1 calc R . .
C38 C 0.1518(5) 0.4075(4) 0.9759(4) 0.0362(17) Uani 1 1 d . . .
H38A H 0.1577 0.4358 1.0331 0.054 Uiso 1 1 calc R . .
H38B H 0.1699 0.3618 0.9956 0.054 Uiso 1 1 calc R . .
H38C H 0.0902 0.4074 0.9402 0.054 Uiso 1 1 calc R . .
B1 B 0.2183(7) 0.3105(6) 0.3987(7) 0.056(3) Uani 1 1 d . . .
F1 F 0.2203(4) 0.2445(3) 0.3824(5) 0.107(2) Uani 1 1 d . . .
F2 F 0.2804(4) 0.3415(3) 0.3584(4) 0.0923(19) Uani 1 1 d . . .
F3 F 0.1360(4) 0.3384(3) 0.3524(4) 0.0869(18) Uani 1 1 d . . .
F4 F 0.2331(4) 0.3270(3) 0.4957(3) 0.0773(16) Uani 1 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
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
Sb3 Cu1 Sb1 111.05(3) . . ?
Sb3 Cu1 Sb2 108.42(3) . . ?
Sb1 Cu1 Sb2 102.97(3) . . ?
Sb3 Cu1 Sb4 105.82(3) . . ?
Sb1 Cu1 Sb4 115.61(3) . . ?
Sb2 Cu1 Sb4 112.89(3) . . ?
C1 Sb1 C2 94.5(3) . . ?
C1 Sb1 C3 103.3(2) . . ?
C2 Sb1 C3 97.6(2) . . ?
C1 Sb1 Cu1 125.99(18) . . ?
C2 Sb1 Cu1 110.4(2) . . ?
C3 Sb1 Cu1 118.92(14) . . ?
C19 Sb2 C18 97.0(3) . . ?
C19 Sb2 C17 98.7(2) . . ?
C18 Sb2 C17 95.1(2) . . ?
C19 Sb2 Cu1 119.88(19) . . ?
C18 Sb2 Cu1 124.16(19) . . ?
C17 Sb2 Cu1 116.54(15) . . ?
C20 Sb3 C22 99.2(3) . . ?
C20 Sb3 C21 95.0(3) . . ?
C22 Sb3 C21 97.0(3) . . ?
C20 Sb3 Cu1 121.5(2) . . ?
C22 Sb3 Cu1 114.38(16) . . ?
C21 Sb3 Cu1 124.4(2) . . ?
C38 Sb4 C37 93.0(3) . . ?
C38 Sb4 C36 105.8(2) . . ?
C37 Sb4 C36 96.5(2) . . ?
C38 Sb4 Cu1 126.4(2) . . ?
C37 Sb4 Cu1 109.91(17) . . ?
C36 Sb4 Cu1 118.05(15) . . ?
C11 N1 C9 111.1(4) . . ?
C11 N1 C10 111.5(5) . . ?
C9 N1 C10 108.9(5) . . ?
C30 N2 C29 109.4(5) . . ?
C30 N2 C28 109.4(5) . . ?
C29 N2 C28 110.5(5) . . ?
Sb1 C1 H1A 109.5 . . ?
Sb1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Sb1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Sb1 C2 H2A 109.5 . . ?
Sb1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Sb1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 C8 119.3(6) . . ?
C4 C3 Sb1 120.0(5) . . ?
C8 C3 Sb1 120.6(4) . . ?
C3 C4 C5 120.4(6) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 120.2(6) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 120.0(6) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C8 121.1(6) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C3 119.0(6) . . ?
C7 C8 C9 120.2(6) . . ?
C3 C8 C9 120.7(5) . . ?
N1 C9 C8 111.3(4) . . ?
N1 C9 H9A 109.4 . . ?
C8 C9 H9A 109.4 . . ?
N1 C9 H9B 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 111.1(5) . . ?
N1 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
N1 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
C17 C12 C13 119.8(5) . . ?
C17 C12 C11 122.0(5) . . ?
C13 C12 C11 118.1(6) . . ?
C12 C13 C14 120.4(6) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C15 C14 C13 119.9(6) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.0(6) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C12 C17 C16 118.6(5) . . ?
C12 C17 Sb2 122.6(4) . . ?
C16 C17 Sb2 118.6(4) . . ?
Sb2 C18 H18A 109.5 . . ?
Sb2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Sb2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Sb2 C19 H19A 109.5 . . ?
Sb2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Sb2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Sb3 C20 H20A 109.5 . . ?
Sb3 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
Sb3 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Sb3 C21 H21A 109.5 . . ?
Sb3 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Sb3 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 C23 119.2(6) . . ?
C27 C22 Sb3 122.7(5) . . ?
C23 C22 Sb3 118.1(5) . . ?
C24 C23 C22 120.0(7) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 121.0(7) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 119.4(7) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C25 C26 C27 121.2(7) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C22 C27 C26 118.6(6) . . ?
C22 C27 C28 122.1(5) . . ?
C26 C27 C28 119.2(6) . . ?
N2 C28 C27 110.7(5) . . ?
N2 C28 H28A 109.5 . . ?
C27 C28 H28A 109.5 . . ?
N2 C28 H28B 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
N2 C29 H29A 109.5 . . ?
N2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N2 C30 C31 109.8(5) . . ?
N2 C30 H30A 109.7 . . ?
C31 C30 H30A 109.7 . . ?
N2 C30 H30B 109.7 . . ?
C31 C30 H30B 109.7 . . ?
H30A C30 H30B 108.2 . . ?
C32 C31 C36 119.9(6) . . ?
C32 C31 C30 119.3(6) . . ?
C36 C31 C30 120.9(6) . . ?
C33 C32 C31 121.6(6) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C32 C33 C34 119.1(6) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
C33 C34 C35 120.3(6) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C36 C35 C34 121.4(6) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C35 C36 C31 117.8(6) . . ?
C35 C36 Sb4 121.4(5) . . ?
C31 C36 Sb4 120.6(4) . . ?
Sb4 C37 H37A 109.5 . . ?
Sb4 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Sb4 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Sb4 C38 H38A 109.5 . . ?
Sb4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Sb4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
F1 B1 F2 109.2(7) . . ?
F1 B1 F4 113.7(9) . . ?
F2 B1 F4 109.2(8) . . ?
F1 B1 F3 111.1(8) . . ?
F2 B1 F3 105.7(9) . . ?
F4 B1 F3 107.7(7) . . ?
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
Cu1 Sb3 2.5289(9) . ?
Cu1 Sb1 2.5291(8) . ?
Cu1 Sb2 2.5317(9) . ?
Cu1 Sb4 2.5380(8) . ?
Sb1 C1 2.123(6) . ?
Sb1 C2 2.135(6) . ?
Sb1 C3 2.154(6) . ?
Sb2 C19 2.135(6) . ?
Sb2 C18 2.140(6) . ?
Sb2 C17 2.158(6) . ?
Sb3 C20 2.110(7) . ?
Sb3 C22 2.151(6) . ?
Sb3 C21 2.152(7) . ?
Sb4 C38 2.121(6) . ?
Sb4 C37 2.136(6) . ?
Sb4 C36 2.147(6) . ?
N1 C11 1.464(7) . ?
N1 C9 1.471(7) . ?
N1 C10 1.474(7) . ?
N2 C30 1.465(8) . ?
N2 C29 1.486(7) . ?
N2 C28 1.485(8) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.392(8) . ?
C3 C8 1.404(8) . ?
C4 C5 1.397(9) . ?
C4 H4 0.9500 . ?
C5 C6 1.373(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.378(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.497(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.519(8) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.394(8) . ?
C12 C13 1.402(8) . ?
C13 C14 1.398(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.367(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.406(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.406(8) . ?
C16 H16 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.391(9) . ?
C22 C23 1.408(9) . ?
C23 C24 1.391(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.368(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.413(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.525(9) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.519(8) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.392(9) . ?
C31 C36 1.412(8) . ?
C32 C33 1.379(9) . ?
C32 H32 0.9500 . ?
C33 C34 1.383(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.395(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(8) . ?
C35 H35 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
B1 F1 1.345(12) . ?
B1 F2 1.372(11) . ?
B1 F4 1.387(10) . ?
B1 F3 1.418(12) . ?
