#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/87/4508777.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_4508777
loop_
_publ_author_name
'Springsteen, Caleb H.'
'Sweeder, Ryan D.'
'LaDuca, Robert L.'
_publ_section_title
;
 Ligand and Anion Effects on the Morphology of Aqueous Substructures
 Entrained within One-Dimensional [CuL4X] Coordination Polymer Matrices (L
 = 2,4‘-Bipyridine, 4-Phenylpyridine; X = SO42-, SiF62-)
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2308
_journal_paper_doi               10.1021/cg060229b
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C40 H32 Cu F6 N8 O4.5 Si'
_chemical_formula_weight         902.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.716(4)
_cell_angle_beta                 113.349(3)
_cell_angle_gamma                112.250(3)
_cell_formula_units_Z            2
_cell_length_a                   13.087(3)
_cell_length_b                   13.149(3)
_cell_length_c                   14.107(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2024.7(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.952
_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  0.0605
_diffrn_reflns_av_sigmaI/netI    0.0906
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24772
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.718
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             922
_exptl_crystal_size_max          0.74
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         9621
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.1293
_refine_ls_R_factor_gt           0.0652
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0870P)²+2.6255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1592
_refine_ls_wR_factor_ref         0.1940
_reflns_number_gt                5593
_reflns_number_total             9621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060229bsup1.cif
_cod_data_source_block           3cu(2,4-bpy)4SiF6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 
;
_cod_original_cell_volume        2024.7(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C40 H32 Cu F6 N8 O4.50 Si'
_cod_database_code               4508777
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
Cu1 Cu 0.0000 0.5000 0.5000 0.0326(2) Uani 1 2 d S . .
Cu2 Cu 0.5000 0.5000 0.5000 0.0282(2) Uani 1 2 d S . .
Si1 Si 0.31287(10) 0.70204(9) 0.44632(8) 0.0236(3) Uani 1 1 d . . .
F1 F 0.1983(2) 0.60161(19) 0.46665(17) 0.0295(5) Uani 1 1 d . . .
F2 F 0.3877(2) 0.6175(2) 0.46633(19) 0.0354(6) Uani 1 1 d . . .
F3 F 0.3868(2) 0.7547(2) 0.57573(19) 0.0451(7) Uani 1 1 d . . .
F4 F 0.4275(2) 0.7995(2) 0.4275(2) 0.0462(7) Uani 1 1 d . . .
F5 F 0.2407(3) 0.7854(2) 0.4258(2) 0.0454(7) Uani 1 1 d . . .
F6 F 0.2380(2) 0.6434(2) 0.31794(18) 0.0408(6) Uani 1 1 d . . .
N1 N 0.5597(3) 0.5549(3) 0.3891(3) 0.0280(8) Uani 1 1 d . . .
N2 N 0.5763(4) 0.6867(4) 0.0581(4) 0.0586(13) Uani 1 1 d . . .
N3 N 0.3540(3) 0.3770(3) 0.3841(3) 0.0300(8) Uani 1 1 d . . .
N5 N -0.0940(3) 0.4257(3) 0.3465(3) 0.0291(8) Uani 1 1 d . . .
N6 N -0.3941(4) 0.1500(4) 0.0061(3) 0.0526(11) Uani 1 1 d . . .
N7 N -0.0471(3) 0.6285(3) 0.4683(3) 0.0274(7) Uani 1 1 d . . .
N8 N -0.2049(4) 0.9200(4) 0.4708(3) 0.0455(10) Uani 1 1 d . . .
C1 C 0.5475(4) 0.6417(4) 0.3458(4) 0.0342(10) Uani 1 1 d . . .
H1A H 0.5196 0.6859 0.3742 0.041 Uiso 1 1 calc R . .
C2 C 0.5735(4) 0.6698(4) 0.2620(4) 0.0351(10) Uani 1 1 d . . .
H2A H 0.5648 0.7331 0.2345 0.042 Uiso 1 1 calc R . .
C3 C 0.6129(4) 0.6050(4) 0.2169(3) 0.0292(9) Uani 1 1 d . . .
C4 C 0.6295(4) 0.5179(4) 0.2653(3) 0.0334(10) Uani 1 1 d . . .
H4A H 0.6601 0.4738 0.2404 0.040 Uiso 1 1 calc R . .
C5 C 0.6018(4) 0.4950(4) 0.3491(3) 0.0329(10) Uani 1 1 d . . .
H5A H 0.6129 0.4341 0.3802 0.040 Uiso 1 1 calc R . .
C6 C 0.6320(4) 0.6261(4) 0.1209(3) 0.0335(10) Uani 1 1 d . . .
C7 C 0.6997(5) 0.5835(4) 0.0980(4) 0.0477(13) Uani 1 1 d . . .
H7A H 0.7391 0.5439 0.1438 0.057 Uiso 1 1 calc R . .
C8 C 0.7093(7) 0.5997(5) 0.0055(6) 0.079(2) Uani 1 1 d . . .
H8A H 0.7561 0.5701 -0.0131 0.095 Uiso 1 1 calc R . .
C9 C 0.6532(6) 0.6573(6) -0.0610(5) 0.072(2) Uani 1 1 d . . .
H9A H 0.6600 0.6671 -0.1252 0.087 Uiso 1 1 calc R . .
C10 C 0.5887(5) 0.6993(6) -0.0326(4) 0.0682(19) Uani 1 1 d . . .
H10A H 0.5500 0.7396 -0.0779 0.082 Uiso 1 1 calc R . .
C11 C 0.2661(4) 0.4019(4) 0.3141(4) 0.0380(11) Uani 1 1 d . . .
H11A H 0.2767 0.4776 0.3200 0.046 Uiso 1 1 calc R . .
C12 C 0.1613(4) 0.3231(4) 0.2343(4) 0.0425(12) Uani 1 1 d . . .
H12A H 0.1014 0.3449 0.1870 0.051 Uiso 1 1 calc R . .
C13 C 0.1431(4) 0.2122(4) 0.2227(4) 0.0343(10) Uani 1 1 d . . .
C14 C 0.2360(4) 0.1869(4) 0.2938(4) 0.0370(10) Uani 1 1 d . . .
H14A H 0.2285 0.1121 0.2881 0.044 Uiso 1 1 calc R . .
C15 C 0.3382(4) 0.2695(4) 0.3721(4) 0.0348(10) Uani 1 1 d . . .
H15A H 0.4001 0.2500 0.4197 0.042 Uiso 1 1 calc R A .
C21 C -0.0480(4) 0.4535(4) 0.2752(3) 0.0337(10) Uani 1 1 d . . .
H21A H 0.0314 0.5121 0.2971 0.040 Uiso 1 1 calc R . .
C22 C -0.1139(4) 0.3987(4) 0.1709(3) 0.0318(10) Uani 1 1 d . . .
H22A H -0.0791 0.4202 0.1227 0.038 Uiso 1 1 calc R . .
C23 C -0.2300(4) 0.3126(3) 0.1364(3) 0.0267(9) Uani 1 1 d . . .
C24 C -0.2749(4) 0.2841(4) 0.2115(3) 0.0290(9) Uani 1 1 d . . .
H24A H -0.3533 0.2247 0.1922 0.035 Uiso 1 1 calc R . .
C25 C -0.2052(4) 0.3424(3) 0.3142(3) 0.0281(9) Uani 1 1 d . . .
H25A H -0.2378 0.3222 0.3639 0.034 Uiso 1 1 calc R . .
C26 C -0.3023(4) 0.2515(4) 0.0257(3) 0.0287(9) Uani 1 1 d . . .
C27 C -0.2734(4) 0.2984(4) -0.0517(3) 0.0374(11) Uani 1 1 d . . .
H27A H -0.2086 0.3703 -0.0363 0.045 Uiso 1 1 calc R . .
C28 C -0.3435(6) 0.2355(6) -0.1543(4) 0.0578(17) Uani 1 1 d . . .
H28A H -0.3262 0.2654 -0.2099 0.069 Uiso 1 1 calc R . .
C29 C -0.4351(6) 0.1337(6) -0.1753(4) 0.0603(16) Uani 1 1 d . . .
H29A H -0.4816 0.0910 -0.2449 0.072 Uiso 1 1 calc R . .
C30 C -0.4594(6) 0.0935(5) -0.0954(4) 0.0629(16) Uani 1 1 d . . .
H30A H -0.5253 0.0223 -0.1108 0.076 Uiso 1 1 calc R . .
C31 C -0.1042(4) 0.6559(3) 0.5197(3) 0.0294(9) Uani 1 1 d . . .
H31A H -0.1223 0.6123 0.5688 0.035 Uiso 1 1 calc R . .
C32 C -0.1368(4) 0.7440(3) 0.5035(3) 0.0272(9) Uani 1 1 d . . .
H32A H -0.1758 0.7609 0.5418 0.033 Uiso 1 1 calc R . .
C33 C -0.1131(4) 0.8086(3) 0.4313(3) 0.0263(9) Uani 1 1 d . . .
C34 C -0.0542(4) 0.7806(4) 0.3792(3) 0.0333(10) Uani 1 1 d . . .
H34A H -0.0356 0.8225 0.3292 0.040 Uiso 1 1 calc R . .
C35 C -0.0226(4) 0.6917(4) 0.4003(3) 0.0327(10) Uani 1 1 d . . .
H35A H 0.0186 0.6746 0.3644 0.039 Uiso 1 1 calc R . .
C36 C -0.1537(4) 0.9013(3) 0.4106(3) 0.0290(9) Uani 1 1 d . . .
C37 C -0.1410(5) 0.9628(4) 0.3354(4) 0.0485(13) Uani 1 1 d . . .
H37A H -0.1027 0.9495 0.2947 0.058 Uiso 1 1 calc R . .
C38 C -0.1852(6) 1.0452(5) 0.3195(5) 0.0607(16) Uani 1 1 d . . .
H38A H -0.1787 1.0881 0.2668 0.073 Uiso 1 1 calc R . .
C39 C -0.2376(5) 1.0639(4) 0.3799(4) 0.0510(14) Uani 1 1 d . . .
H39A H -0.2680 1.1200 0.3706 0.061 Uiso 1 1 calc R . .
C40 C -0.2454(5) 1.0004(4) 0.4539(5) 0.0539(14) Uani 1 1 d . . .
H40A H -0.2818 1.0139 0.4962 0.065 Uiso 1 1 calc R . .
N4A N -0.0439(10) 0.1540(9) 0.0745(9) 0.041(3) Uiso 0.50 1 d P A 1
C16A C 0.0276(12) 0.1334(11) 0.1313(11) 0.030(4) Uiso 0.50 1 d P A 1
C17A C 0.0049(13) 0.0049(12) 0.1489(11) 0.037(4) Uiso 0.50 1 d P A 1
H17A H 0.0571 -0.0143 0.2075 0.045 Uiso 0.50 1 calc PR A 1
C18A C -0.0966(15) -0.0687(15) 0.0698(13) 0.048(5) Uiso 0.50 1 d P A 1
H18A H -0.1092 -0.1450 0.0648 0.058 Uiso 0.50 1 calc PR A 1
C19A C -0.1859(18) -0.0434(15) -0.0061(15) 0.052(6) Uiso 0.50 1 d P A 1
H19A H -0.2618 -0.0990 -0.0563 0.063 Uiso 0.50 1 calc PR A 1
C20A C -0.1541(15) 0.0698(14) -0.0018(13) 0.059(5) Uiso 0.50 1 d P A 1
H20A H -0.2098 0.0926 -0.0534 0.071 Uiso 0.50 1 calc PR A 1
O3A O 0.0825(10) -0.2190(10) 0.2144(9) 0.102(3) Uiso 0.50 1 d P B 1
O5A O -0.0205(9) 0.6419(8) 0.0231(8) 0.088(3) Uiso 0.50 1 d P C 1
O2A O 0.2793(18) -0.0500(16) 0.2877(16) 0.108(6) Uiso 0.30 1 d P D 1
C16B C 0.0297(11) 0.1171(12) 0.1476(10) 0.027(4) Uiso 0.50 1 d P A 2
C17B C -0.0447(11) 0.1648(11) 0.0458(10) 0.040(3) Uiso 0.50 1 d P A 2
H17B H -0.0164 0.2412 0.0391 0.048 Uiso 0.50 1 calc PR A 2
C18B C -0.1143(15) -0.0578(14) 0.0693(13) 0.044(4) Uiso 0.50 1 d P A 2
H18B H -0.1416 -0.1331 0.0791 0.053 Uiso 0.50 1 calc PR A 2
C19B C -0.1826(15) -0.0246(14) -0.0167(12) 0.038(4) Uiso 0.50 1 d P A 2
H19B H -0.2555 -0.0795 -0.0709 0.045 Uiso 0.50 1 calc PR A 2
C20B C -0.1480(12) 0.0841(11) -0.0251(11) 0.041(3) Uiso 0.50 1 d P A 2
H20B H -0.1994 0.1038 -0.0839 0.050 Uiso 0.50 1 calc PR A 2
N4B N -0.0011(10) 0.0274(10) 0.1421(9) 0.035(3) Uiso 0.50 1 d P A 2
O5 O -0.0540(7) 0.5327(6) -0.0243(6) 0.058(2) Uiso 0.50 1 d P E 2
O4 O 0.0546(7) 0.6717(7) 0.1676(6) 0.062(2) Uiso 0.50 1 d P F 2
O1 O -0.5460(4) 0.1327(4) 0.2265(4) 0.0807(13) Uiso 1 1 d . G 2
O2 O -0.6074(5) 0.0026(5) 0.3699(5) 0.0626(15) Uiso 0.70 1 d P H 2
O3 O -0.8930(8) -0.1182(7) 0.2477(7) 0.068(2) Uiso 0.50 1 d P I 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'
Si Si 0.0817 0.0704 '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'
Cu Cu 0.3201 1.2651 '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
N7 Cu1 N7 180.000(1) 2_566 .
N7 Cu1 N5 88.99(13) 2_566 .
N7 Cu1 N5 91.01(13) . .
N7 Cu1 N5 91.01(13) 2_566 2_566
N7 Cu1 N5 88.99(13) . 2_566
N5 Cu1 N5 180.000(1) . 2_566
N7 Cu1 F1 91.27(11) 2_566 2_566
N7 Cu1 F1 88.73(11) . 2_566
N5 Cu1 F1 91.40(11) . 2_566
N5 Cu1 F1 88.60(11) 2_566 2_566
N7 Cu1 F1 88.73(11) 2_566 .
N7 Cu1 F1 91.27(11) . .
N5 Cu1 F1 88.60(11) . .
N5 Cu1 F1 91.40(11) 2_566 .
F1 Cu1 F1 180.0 2_566 .
N3 Cu2 N3 180.000(1) . 2_666
N3 Cu2 N1 87.15(13) . .
N3 Cu2 N1 92.85(14) 2_666 .
N3 Cu2 N1 92.85(14) . 2_666
N3 Cu2 N1 87.15(13) 2_666 2_666
N1 Cu2 N1 180.000(1) . 2_666
N3 Cu2 F2 90.15(12) . 2_666
N3 Cu2 F2 89.85(12) 2_666 2_666
N1 Cu2 F2 89.14(11) . 2_666
N1 Cu2 F2 90.86(11) 2_666 2_666
N3 Cu2 F2 89.85(12) . .
N3 Cu2 F2 90.15(12) 2_666 .
N1 Cu2 F2 90.86(11) . .
N1 Cu2 F2 89.14(11) 2_666 .
F2 Cu2 F2 180.000(1) 2_666 .
F5 Si1 F3 91.35(15) . .
F5 Si1 F6 90.67(14) . .
F3 Si1 F6 177.36(15) . .
F5 Si1 F4 90.38(14) . .
F3 Si1 F4 90.40(15) . .
F6 Si1 F4 91.29(14) . .
F5 Si1 F2 179.23(14) . .
F3 Si1 F2 89.02(14) . .
F6 Si1 F2 88.98(13) . .
F4 Si1 F2 88.95(13) . .
F5 Si1 F1 90.76(13) . .
F3 Si1 F1 89.24(13) . .
F6 Si1 F1 89.04(13) . .
F4 Si1 F1 178.81(14) . .
F2 Si1 F1 89.92(12) . .
Si1 F1 Cu1 161.50(13) . .
Si1 F2 Cu2 178.27(16) . .
C1 N1 C5 117.6(4) . .
C1 N1 Cu2 122.9(3) . .
C5 N1 Cu2 119.1(3) . .
C10 N2 C6 116.9(5) . .
C11 N3 C15 117.1(4) . .
C11 N3 Cu2 119.0(3) . .
C15 N3 Cu2 123.9(3) . .
C25 N5 C21 118.1(4) . .
C25 N5 Cu1 118.6(3) . .
C21 N5 Cu1 123.2(3) . .
C26 N6 C30 117.3(4) . .
C35 N7 C31 117.1(3) . .
C35 N7 Cu1 123.4(3) . .
C31 N7 Cu1 119.5(3) . .
C40 N8 C36 117.7(4) . .
N1 C1 C2 122.7(4) . .
N1 C1 H1A 118.6 . .
C2 C1 H1A 118.6 . .
C1 C2 C3 120.1(4) . .
C1 C2 H2A 119.9 . .
C3 C2 H2A 119.9 . .
C4 C3 C2 116.2(4) . .
C4 C3 C6 121.6(4) . .
C2 C3 C6 122.1(4) . .
C5 C4 C3 120.2(4) . .
C5 C4 H4A 119.9 . .
C3 C4 H4A 119.9 . .
N1 C5 C4 123.0(4) . .
N1 C5 H5A 118.5 . .
C4 C5 H5A 118.5 . .
C7 C6 N2 123.3(4) . .
C7 C6 C3 118.9(4) . .
N2 C6 C3 117.8(4) . .
C6 C7 C8 117.0(6) . .
C6 C7 H7A 121.5 . .
C8 C7 H7A 121.5 . .
C7 C8 C9 122.1(6) . .
C7 C8 H8A 119.0 . .
C9 C8 H8A 119.0 . .
C10 C9 C8 117.9(6) . .
C10 C9 H9A 121.1 . .
C8 C9 H9A 121.1 . .
C9 C10 N2 122.9(6) . .
C9 C10 H10A 118.6 . .
N2 C10 H10A 118.6 . .
N3 C11 C12 123.2(4) . .
N3 C11 H11A 118.4 . .
C12 C11 H11A 118.4 . .
C11 C12 C13 120.1(4) . .
C11 C12 H12A 120.0 . .
C13 C12 H12A 120.0 . .
C12 C13 C14 116.7(4) . .
C12 C13 C16B 125.7(6) . .
C14 C13 C16B 117.4(6) . .
C12 C13 C16A 115.9(6) . .
C14 C13 C16A 127.4(6) . .
C16B C13 C16A 12.1(7) . .
C15 C14 C13 120.4(4) . .
C15 C14 H14A 119.8 . .
C13 C14 H14A 119.8 . .
N3 C15 C14 122.5(4) . .
N3 C15 H15A 118.7 . .
C14 C15 H15A 118.7 . .
N5 C21 C22 121.7(4) . .
N5 C21 H21A 119.2 . .
C22 C21 H21A 119.2 . .
C21 C22 C23 120.6(4) . .
C21 C22 H22A 119.7 . .
C23 C22 H22A 119.7 . .
C22 C23 C24 116.8(4) . .
C22 C23 C26 121.9(4) . .
C24 C23 C26 121.3(4) . .
C25 C24 C23 119.9(4) . .
C25 C24 H24A 120.1 . .
C23 C24 H24A 120.1 . .
N5 C25 C24 122.9(4) . .
N5 C25 H25A 118.5 . .
C24 C25 H25A 118.5 . .
N6 C26 C27 122.8(4) . .
N6 C26 C23 117.4(4) . .
C27 C26 C23 119.9(4) . .
C26 C27 C28 117.1(5) . .
C26 C27 H27A 121.5 . .
C28 C27 H27A 121.5 . .
C29 C28 C27 121.1(5) . .
C29 C28 H28A 119.5 . .
C27 C28 H28A 119.5 . .
C28 C29 C30 118.5(5) . .
C28 C29 H29A 120.7 . .
C30 C29 H29A 120.7 . .
C29 C30 N6 123.2(6) . .
C29 C30 H30A 118.4 . .
N6 C30 H30A 118.4 . .
N7 C31 C32 122.7(4) . .
N7 C31 H31A 118.7 . .
C32 C31 H31A 118.7 . .
C31 C32 C33 120.2(4) . .
C31 C32 H32A 119.9 . .
C33 C32 H32A 119.9 . .
C32 C33 C34 117.0(4) . .
C32 C33 C36 120.0(3) . .
C34 C33 C36 123.0(4) . .
C35 C34 C33 119.7(4) . .
C35 C34 H34A 120.2 . .
C33 C34 H34A 120.2 . .
N7 C35 C34 123.4(4) . .
N7 C35 H35A 118.3 . .
C34 C35 H35A 118.3 . .
N8 C36 C37 121.9(4) . .
N8 C36 C33 115.2(4) . .
C37 C36 C33 122.9(4) . .
C36 C37 C38 118.7(5) . .
C36 C37 H37A 120.6 . .
C38 C37 H37A 120.6 . .
C39 C38 C37 119.5(5) . .
C39 C38 H38A 120.2 . .
C37 C38 H38A 120.2 . .
C40 C39 C38 118.2(5) . .
C40 C39 H39A 120.9 . .
C38 C39 H39A 120.9 . .
N8 C40 C39 124.0(5) . .
N8 C40 H40A 118.0 . .
C39 C40 H40A 118.0 . .
C16A N4A C20A 121.3(13) . .
N4A C16A C17A 122.7(12) . .
N4A C16A C13 127.1(12) . .
C17A C16A C13 108.2(10) . .
C16A C17A C18A 110.8(13) . .
C16A C17A H17A 124.6 . .
C18A C17A H17A 124.6 . .
C19A C18A C17A 125.5(17) . .
C19A C18A H18A 117.3 . .
C17A C18A H18A 117.3 . .
C20A C19A C18A 113.8(17) . .
C20A C19A H19A 123.1 . .
C18A C19A H19A 123.1 . .
C19A C20A N4A 124.2(15) . .
C19A C20A H20A 117.9 . .
N4A C20A H20A 117.9 . .
N4B C16B C13 131.6(13) . .
N4B C16B C17B 118.3(12) . .
C13 C16B C17B 109.0(10) . .
C20B C17B C16B 112.5(11) . .
C20B C17B H17B 123.7 . .
C16B C17B H17B 123.7 . .
N4B C18B C19B 116.0(14) . .
N4B C18B H18B 122.0 . .
C19B C18B H18B 122.0 . .
C20B C19B C18B 121.4(16) . .
C20B C19B H19B 119.3 . .
C18B C19B H19B 119.3 . .
C17B C20B C19B 122.5(14) . .
C17B C20B H20B 118.7 . .
C19B C20B H20B 118.7 . .
C16B N4B C18B 127.7(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N7 2.005(3) 2_566
Cu1 N7 2.005(3) .
Cu1 N5 2.020(3) .
Cu1 N5 2.020(3) 2_566
Cu1 F1 2.664(2) 2_566
Cu1 F1 2.664(2) .
Cu2 N3 2.015(4) .
Cu2 N3 2.015(4) 2_666
Cu2 N1 2.038(3) .
Cu2 N1 2.038(3) 2_666
Cu2 F2 2.441(2) 2_666
Cu2 F2 2.441(2) .
Si1 F5 1.659(3) .
Si1 F3 1.676(3) .
Si1 F6 1.680(3) .
Si1 F4 1.683(3) .
Si1 F2 1.699(3) .
Si1 F1 1.710(2) .
N1 C1 1.333(5) .
N1 C5 1.343(5) .
N2 C10 1.356(7) .
N2 C6 1.376(6) .
N3 C11 1.341(5) .
N3 C15 1.347(5) .
N5 C25 1.334(5) .
N5 C21 1.353(5) .
N6 C26 1.347(6) .
N6 C30 1.363(6) .
N7 C35 1.333(5) .
N7 C31 1.356(5) .
N8 C40 1.337(6) .
N8 C36 1.342(5) .
C1 C2 1.373(6) .
C1 H1A 0.9500 .
C2 C3 1.406(6) .
C2 H2A 0.9500 .
C3 C4 1.383(6) .
C3 C6 1.484(6) .
C4 C5 1.374(6) .
C4 H4A 0.9500 .
C5 H5A 0.9500 .
C6 C7 1.342(6) .
C7 C8 1.370(8) .
C7 H7A 0.9500 .
C8 C9 1.374(10) .
C8 H8A 0.9500 .
C9 C10 1.339(9) .
C9 H9A 0.9500 .
C10 H10A 0.9500 .
C11 C12 1.376(6) .
C11 H11A 0.9500 .
C12 C13 1.382(6) .
C12 H12A 0.9500 .
C13 C14 1.393(6) .
C13 C16B 1.485(14) .
C13 C16A 1.503(14) .
C14 C15 1.374(6) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C21 C22 1.387(6) .
C21 H21A 0.9500 .
C22 C23 1.388(6) .
C22 H22A 0.9500 .
C23 C24 1.395(5) .
C23 C26 1.484(5) .
C24 C25 1.383(6) .
C24 H24A 0.9500 .
C25 H25A 0.9500 .
C26 C27 1.371(6) .
C27 C28 1.401(7) .
C27 H27A 0.9500 .
C28 C29 1.345(8) .
C28 H28A 0.9500 .
C29 C30 1.350(8) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C31 C32 1.371(5) .
C31 H31A 0.9500 .
C32 C33 1.388(6) .
C32 H32A 0.9500 .
C33 C34 1.390(5) .
C33 C36 1.494(5) .
C34 C35 1.379(6) .
C34 H34A 0.9500 .
C35 H35A 0.9500 .
C36 C37 1.366(6) .
C37 C38 1.393(7) .
C37 H37A 0.9500 .
C38 C39 1.358(8) .
C38 H38A 0.9500 .
C39 C40 1.355(8) .
C39 H39A 0.9500 .
C40 H40A 0.9500 .
N4A C16A 1.093(14) .
N4A C20A 1.412(19) .
C16A C17A 1.641(19) .
C17A C18A 1.33(2) .
C17A H17A 0.9500 .
C18A C19A 1.39(3) .
C18A H18A 0.9500 .
C19A C20A 1.38(2) .
C19A H19A 0.9500 .
C20A H20A 0.9500 .
C16B N4B 1.083(14) .
C16B C17B 1.667(18) .
C17B C20B 1.330(18) .
C17B H17B 0.9500 .
C18B N4B 1.42(2) .
C18B C19B 1.38(2) .
C18B H18B 0.9500 .
C19B C20B 1.35(2) .
C19B H19B 0.9500 .
C20B H20B 0.9500 .
