#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/87/4508778.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_4508778
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            'C44 H43 Cu F6 N4 O4.5 Si'
_chemical_formula_weight         905.45
_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                92.909(3)
_cell_angle_beta                 111.721(3)
_cell_angle_gamma                112.678(3)
_cell_formula_units_Z            2
_cell_length_a                   13.005(3)
_cell_length_b                   13.452(3)
_cell_length_c                   14.081(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2057.1(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 0.999
_diffrn_measured_fraction_theta_max 0.954
_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  0.0545
_diffrn_reflns_av_sigmaI/netI    0.0829
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_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            25495
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             938
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.013
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         9824
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0610
_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)+(0.0384P)²+2.7363P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                6490
_reflns_number_total             9824
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg060229bsup1.cif
_cod_data_source_block           4cu(4-phpyr)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        2057.1(7)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C44 H43 Cu F6 N4 O4.50 Si'
_cod_database_code               4508778
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
Cu2 Cu 0.5000 1.0000 0.5000 0.01990(14) Uani 1 2 d S
Cu1 Cu 0.0000 1.0000 0.5000 0.02943(17) Uani 1 2 d S
Si3 Si 0.31875(8) 1.19896(7) 0.44768(7) 0.0201(2) Uani 1 1 d .
F2 F 0.39372(16) 1.11748(15) 0.46736(14) 0.0245(4) Uani 1 1 d .
F1 F 0.20082(16) 1.09842(15) 0.46271(14) 0.0252(4) Uani 1 1 d .
F3 F 0.24898(19) 1.14080(17) 0.31876(14) 0.0345(5) Uani 1 1 d .
F4 F 0.38829(18) 1.25198(16) 0.57769(14) 0.0339(5) Uani 1 1 d .
F5 F 0.2449(2) 1.27852(17) 0.42917(17) 0.0393(5) Uani 1 1 d .
F6 F 0.4359(2) 1.29702(17) 0.43288(18) 0.0411(5) Uani 1 1 d .
N1 N 0.3522(2) 0.8766(2) 0.3812(2) 0.0214(6) Uani 1 1 d .
N2 N 0.5633(2) 1.0510(2) 0.3915(2) 0.0207(6) Uani 1 1 d .
N3 N -0.0454(2) 1.1248(2) 0.4672(2) 0.0230(6) Uani 1 1 d .
N4 N -0.0944(3) 0.9193(2) 0.3482(2) 0.0265(6) Uani 1 1 d .
C1C C 0.1378(3) 0.7103(3) 0.2186(2) 0.0228(7) Uani 1 1 d .
C1A C 0.2622(3) 0.8992(3) 0.3158(3) 0.0263(7) Uani 1 1 d .
H1A H 0.2720 0.9717 0.3250 0.032 Uiso 1 1 calc R
C1F C 0.0221(3) 0.6233(3) 0.1372(3) 0.0265(8) Uani 1 1 d .
C1E C 0.3369(3) 0.7717(3) 0.3626(3) 0.0280(8) Uani 1 1 d .
H1E H 0.3988 0.7541 0.4050 0.034 Uiso 1 1 calc R
C1D C 0.2339(3) 0.6892(3) 0.2836(3) 0.0278(8) Uani 1 1 d .
H1D H 0.2284 0.6182 0.2734 0.033 Uiso 1 1 calc R
C1B C 0.1572(3) 0.8203(3) 0.2365(3) 0.0279(8) Uani 1 1 d .
H1B H 0.0978 0.8403 0.1938 0.033 Uiso 1 1 calc R
C1G C -0.0075(3) 0.5122(3) 0.1364(3) 0.0331(8) Uani 1 1 d .
H1G H 0.0482 0.4929 0.1857 0.040 Uiso 1 1 calc R
C1K C -0.0621(4) 0.6489(3) 0.0604(3) 0.0400(10) Uani 1 1 d .
H1K H -0.0439 0.7225 0.0582 0.048 Uiso 1 1 calc R
C1H C -0.1180(4) 0.4299(3) 0.0635(3) 0.0409(10) Uani 1 1 d .
H1H H -0.1365 0.3561 0.0651 0.049 Uiso 1 1 calc R
C1I C -0.2006(4) 0.4564(3) -0.0111(3) 0.0430(10) Uani 1 1 d .
H1I H -0.2748 0.4009 -0.0602 0.052 Uiso 1 1 calc R
C1J C -0.1727(4) 0.5664(3) -0.0128(3) 0.0485(11) Uani 1 1 d .
H1J H -0.2283 0.5849 -0.0631 0.058 Uiso 1 1 calc R
C2C C 0.6221(3) 1.0988(3) 0.2208(2) 0.0199(7) Uani 1 1 d .
C2D C 0.6375(3) 1.0141(3) 0.2682(2) 0.0239(7) Uani 1 1 d .
H2D H 0.6685 0.9719 0.2436 0.029 Uiso 1 1 calc R
C2A C 0.5528(3) 1.1356(3) 0.3488(2) 0.0227(7) Uani 1 1 d .
H2A H 0.5251 1.1788 0.3768 0.027 Uiso 1 1 calc R
C2E C 0.6073(3) 0.9926(3) 0.3508(2) 0.0240(7) Uani 1 1 d .
H2E H 0.6177 0.9349 0.3803 0.029 Uiso 1 1 calc R
C2B C 0.5810(3) 1.1611(3) 0.2657(3) 0.0234(7) Uani 1 1 d .
H2B H 0.5726 1.2207 0.2391 0.028 Uiso 1 1 calc R
C2F C 0.6437(3) 1.1178(3) 0.1256(2) 0.0218(7) Uani 1 1 d .
C2G C 0.5743(3) 1.1580(3) 0.0516(3) 0.0274(8) Uani 1 1 d .
H2G H 0.5179 1.1768 0.0640 0.033 Uiso 1 1 calc R
C2K C 0.7284(3) 1.0913(3) 0.1056(3) 0.0309(8) Uani 1 1 d .
H2K H 0.7764 1.0652 0.1547 0.037 Uiso 1 1 calc R
C2H C 0.5885(3) 1.1702(3) -0.0406(3) 0.0332(9) Uani 1 1 d .
H2H H 0.5418 1.1974 -0.0894 0.040 Uiso 1 1 calc R
C2I C 0.6707(4) 1.1424(3) -0.0602(3) 0.0373(9) Uani 1 1 d .
H2I H 0.6788 1.1496 -0.1228 0.045 Uiso 1 1 calc R
C2J C 0.7417(4) 1.1036(3) 0.0131(3) 0.0381(9) Uani 1 1 d .
H2J H 0.7984 1.0857 0.0003 0.046 Uiso 1 1 calc R
C3C C -0.1108(3) 1.3004(3) 0.4287(2) 0.0217(7) Uani 1 1 d .
C3E C -0.1028(3) 1.1546(3) 0.5171(3) 0.0263(8) Uani 1 1 d .
H3E H -0.1219 1.1147 0.5651 0.032 Uiso 1 1 calc R
C3D C -0.1346(3) 1.2399(3) 0.5017(3) 0.0258(7) Uani 1 1 d .
H3D H -0.1723 1.2577 0.5401 0.031 Uiso 1 1 calc R
C3F C -0.1465(3) 1.3923(3) 0.4084(3) 0.0256(7) Uani 1 1 d .
C3A C -0.0205(3) 1.1835(3) 0.3979(3) 0.0283(8) Uani 1 1 d .
H3A H 0.0194 1.1651 0.3621 0.034 Uiso 1 1 calc R
C3B C -0.0509(3) 1.2692(3) 0.3773(3) 0.0293(8) Uani 1 1 d .
H3B H -0.0314 1.3072 0.3283 0.035 Uiso 1 1 calc R
C3G C -0.1927(4) 1.4299(3) 0.4693(3) 0.0387(9) Uani 1 1 d .
H3G H -0.2004 1.3978 0.5247 0.046 Uiso 1 1 calc R
C3K C -0.1350(4) 1.4435(3) 0.3279(3) 0.0422(10) Uani 1 1 d .
H3K H -0.1040 1.4201 0.2860 0.051 Uiso 1 1 calc R
C3I C -0.2142(4) 1.5647(3) 0.3693(4) 0.0507(12) Uani 1 1 d .
H3I H -0.2358 1.6226 0.3569 0.061 Uiso 1 1 calc R
C3H C -0.2274(4) 1.5140(3) 0.4489(3) 0.0481(11) Uani 1 1 d .
H3H H -0.2601 1.5367 0.4896 0.058 Uiso 1 1 calc R
C3J C -0.1686(4) 1.5289(4) 0.3083(4) 0.0547(12) Uani 1 1 d .
H3J H -0.1603 1.5620 0.2535 0.066 Uiso 1 1 calc R
C4F C -0.3255(3) 0.7428(3) 0.0265(2) 0.0250(7) Uani 1 1 d .
C4C C -0.2448(3) 0.8030(3) 0.1379(2) 0.0241(7) Uani 1 1 d .
C4B C -0.1272(3) 0.8866(3) 0.1691(3) 0.0299(8) Uani 1 1 d .
H4B H -0.0963 0.9053 0.1194 0.036 Uiso 1 1 calc R
C4D C -0.2822(3) 0.7787(3) 0.2175(3) 0.0297(8) Uani 1 1 d .
H4D H -0.3594 0.7222 0.2018 0.036 Uiso 1 1 calc R
C4E C -0.2063(3) 0.8375(3) 0.3198(3) 0.0299(8) Uani 1 1 d .
H4E H -0.2344 0.8191 0.3713 0.036 Uiso 1 1 calc R
C4K C -0.2932(3) 0.7783(3) -0.0536(3) 0.0335(9) Uani 1 1 d .
H4K H -0.2201 0.8406 -0.0376 0.040 Uiso 1 1 calc R
C4A C -0.0552(3) 0.9426(3) 0.2727(3) 0.0307(8) Uani 1 1 d .
H4A H 0.0231 0.9984 0.2908 0.037 Uiso 1 1 calc R
C4G C -0.4365(4) 0.6505(3) -0.0002(3) 0.0405(10) Uani 1 1 d .
H4G H -0.4605 0.6255 0.0520 0.049 Uiso 1 1 calc R
C4J C -0.3689(4) 0.7217(4) -0.1573(3) 0.0403(10) Uani 1 1 d .
H4J H -0.3458 0.7459 -0.2102 0.048 Uiso 1 1 calc R
C4I C -0.4770(4) 0.6309(3) -0.1821(3) 0.0415(10) Uani 1 1 d .
H4I H -0.5272 0.5930 -0.2516 0.050 Uiso 1 1 calc R
C4H C -0.5115(4) 0.5954(3) -0.1043(3) 0.0499(12) Uani 1 1 d .
H4H H -0.5858 0.5341 -0.1214 0.060 Uiso 1 1 calc R
O1W O 0.5434(4) 1.3811(5) 0.7729(4) 0.134(2) Uani 1 1 d .
O2W O 0.5706(6) 1.4983(4) 0.6302(5) 0.134(2) Uani 1 1 d D
H2WA H 0.516(6) 1.446(4) 0.575(4) 0.161 Uiso 1 1 d D
H2WB H 0.570(7) 1.561(3) 0.621(6) 0.161 Uiso 1 1 d D
O3W O 0.1740(4) 1.3860(4) 0.2714(3) 0.0861(13) Uani 1 1 d D
H3WA H 0.196(5) 1.350(4) 0.315(4) 0.103 Uiso 1 1 d D
H3WB H 0.233(4) 1.434(4) 0.263(5) 0.103 Uiso 1 1 d D
O4W O 0.0614(3) 1.1567(3) 0.1559(3) 0.0720(10) Uani 1 1 d D
H4WA H 0.121(3) 1.150(4) 0.201(3) 0.086 Uiso 1 1 d D
H4WB H 0.077(5) 1.225(2) 0.162(4) 0.086 Uiso 1 1 d D
O5W O 0.0424(5) 0.9559(5) 0.0362(4) 0.0536(16) Uani 0.50 1 d PD
H5WA H 0.0467 1.0109 0.0692 0.064 Uiso 0.50 1 d PD
H5WB H 0.0072 0.9171 0.0000 0.064 Uiso 0.50 1 d PD
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'
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'
Si Si 0.0817 0.0704 '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
N2 Cu2 N2 180.000(1) 2_676 .
N2 Cu2 N1 86.92(10) 2_676 2_676
N2 Cu2 N1 93.08(10) . 2_676
N2 Cu2 N1 93.08(10) 2_676 .
N2 Cu2 N1 86.92(10) . .
N1 Cu2 N1 180.000(1) 2_676 .
N2 Cu2 F2 90.12(9) 2_676 .
N2 Cu2 F2 89.88(9) . .
N1 Cu2 F2 90.01(9) 2_676 .
N1 Cu2 F2 89.99(9) . .
N2 Cu2 F2 50.16(7) 2_676 2_576
N2 Cu2 F2 129.84(7) . 2_576
N1 Cu2 F2 112.06(7) 2_676 2_576
N1 Cu2 F2 67.94(7) . 2_576
F2 Cu2 F2 49.65(5) . 2_576
N3 Cu1 N3 180.000(1) 2_576 .
N3 Cu1 N4 91.18(11) 2_576 2_576
N3 Cu1 N4 88.82(11) . 2_576
N3 Cu1 N4 88.82(11) 2_576 .
N3 Cu1 N4 91.18(11) . .
N4 Cu1 N4 180.000(1) 2_576 .
N3 Cu1 F1 89.36(9) 2_576 .
N3 Cu1 F1 90.64(9) . .
N4 Cu1 F1 91.48(10) 2_576 .
N4 Cu1 F1 88.52(10) . .
N3 Cu1 F1 50.36(8) 2_576 2_676
N3 Cu1 F1 129.64(8) . 2_676
N4 Cu1 F1 89.00(8) 2_576 2_676
N4 Cu1 F1 91.00(8) . 2_676
F1 Cu1 F1 39.15(5) . 2_676
F5 Si3 F6 90.73(11) . .
F5 Si3 F3 91.08(11) . .
F6 Si3 F3 90.98(11) . .
F5 Si3 F4 90.89(11) . .
F6 Si3 F4 90.39(11) . .
F3 Si3 F4 177.58(12) . .
F5 Si3 F2 179.52(11) . .
F6 Si3 F2 89.64(11) . .
F3 Si3 F2 89.23(10) . .
F4 Si3 F2 88.80(10) . .
F5 Si3 F1 89.99(11) . .
F6 Si3 F1 179.27(11) . .
F3 Si3 F1 88.91(10) . .
F4 Si3 F1 89.69(10) . .
F2 Si3 F1 89.64(10) . .
Si3 F2 Cu2 178.36(10) . .
Si3 F1 Cu1 160.14(10) . .
C1E N1 C1A 116.6(3) . .
C1E N1 Cu2 124.3(2) . .
C1A N1 Cu2 119.1(2) . .
C2A N2 C2E 116.7(3) . .
C2A N2 Cu2 123.0(2) . .
C2E N2 Cu2 120.0(2) . .
C3A N3 C3E 116.2(3) . .
C3A N3 Cu1 123.9(2) . .
C3E N3 Cu1 119.9(2) . .
C4E N4 C4A 117.3(3) . .
C4E N4 Cu1 117.3(2) . .
C4A N4 Cu1 125.4(2) . .
C1D C1C C1B 115.2(3) . .
C1D C1C C1F 123.1(3) . .
C1B C1C C1F 121.6(3) . .
N1 C1A C1B 123.0(3) . .
C1G C1F C1K 117.7(3) . .
C1G C1F C1C 120.6(3) . .
C1K C1F C1C 121.7(3) . .
N1 C1E C1D 122.9(3) . .
C1E C1D C1C 121.1(3) . .
C1A C1B C1C 121.1(3) . .
C1H C1G C1F 121.3(3) . .
C1J C1K C1F 121.0(4) . .
C1I C1H C1G 120.3(4) . .
C1H C1I C1J 119.6(4) . .
C1I C1J C1K 120.1(4) . .
C2B C2C C2D 115.9(3) . .
C2B C2C C2F 122.4(3) . .
C2D C2C C2F 121.6(3) . .
C2E C2D C2C 120.4(3) . .
N2 C2A C2B 122.8(3) . .
N2 C2E C2D 123.2(3) . .
C2A C2B C2C 120.8(3) . .
C2G C2F C2K 118.7(3) . .
C2G C2F C2C 119.7(3) . .
C2K C2F C2C 121.6(3) . .
C2H C2G C2F 120.4(3) . .
C2J C2K C2F 120.5(3) . .
C2I C2H C2G 120.5(3) . .
C2H C2I C2J 119.9(3) . .
C2I C2J C2K 120.1(4) . .
C3D C3C C3B 115.5(3) . .
C3D C3C C3F 121.7(3) . .
C3B C3C C3F 122.8(3) . .
N3 C3E C3D 123.9(3) . .
C3E C3D C3C 120.3(3) . .
C3K C3F C3G 117.4(3) . .
C3K C3F C3C 121.1(3) . .
C3G C3F C3C 121.5(3) . .
N3 C3A C3B 123.2(3) . .
C3A C3B C3C 120.8(3) . .
C3H C3G C3F 121.1(4) . .
C3F C3K C3J 121.5(4) . .
C3J C3I C3H 119.2(4) . .
C3I C3H C3G 120.6(4) . .
C3I C3J C3K 120.1(4) . .
C4K C4F C4G 118.2(3) . .
C4K C4F C4C 121.0(3) . .
C4G C4F C4C 120.8(3) . .
C4D C4C C4B 115.5(3) . .
C4D C4C C4F 122.0(3) . .
C4B C4C C4F 122.4(3) . .
C4A C4B C4C 121.2(3) . .
C4E C4D C4C 120.7(3) . .
N4 C4E C4D 123.0(3) . .
C4J C4K C4F 120.7(4) . .
N4 C4A C4B 122.2(3) . .
C4H C4G C4F 120.4(4) . .
C4I C4J C4K 120.3(4) . .
C4J C4I C4H 119.9(4) . .
C4I C4H C4G 120.5(4) . .
H2WB O2W H2WA 111(5) . .
H3WB O3W H3WA 113(4) . .
H4WA O4W H4WB 110(4) . .
H5WB O5W H5WA 141.6(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu2 N2 2.020(3) 2_676
Cu2 N2 2.020(3) .
Cu2 N1 2.031(3) 2_676
Cu2 N1 2.031(3) .
Cu2 F2 2.4304(17) .
Cu2 F2 11.299(3) 2_576
Cu1 N3 2.005(3) 2_576
Cu1 N3 2.005(3) .
Cu1 N4 2.012(3) 2_576
Cu1 N4 2.012(3) .
Cu1 F1 2.6961(18) .
Cu1 F1 10.802(3) 2_676
Si3 F5 1.665(2) .
Si3 F6 1.678(2) .
Si3 F3 1.679(2) .
Si3 F4 1.680(2) .
Si3 F2 1.6981(19) .
Si3 F1 1.702(2) .
N1 C1E 1.344(4) .
N1 C1A 1.348(4) .
N2 C2A 1.343(4) .
N2 C2E 1.348(4) .
N3 C3A 1.341(4) .
N3 C3E 1.341(4) .
N4 C4E 1.333(5) .
N4 C4A 1.341(4) .
C1C C1D 1.390(4) .
C1C C1B 1.394(5) .
C1C C1F 1.475(4) .
C1A C1B 1.368(5) .
C1F C1G 1.390(5) .
C1F C1K 1.394(5) .
C1E C1D 1.374(5) .
C1G C1H 1.382(5) .
C1K C1J 1.385(5) .
C1H C1I 1.372(5) .
C1I C1J 1.384(6) .
C2C C2B 1.389(4) .
C2C C2D 1.391(4) .
C2C C2F 1.483(4) .
C2D C2E 1.370(4) .
C2A C2B 1.373(4) .
C2F C2G 1.390(4) .
C2F C2K 1.393(5) .
C2G C2H 1.386(5) .
C2K C2J 1.386(5) .
C2H C2I 1.370(5) .
C2I C2J 1.382(5) .
C3C C3D 1.394(5) .
C3C C3B 1.395(5) .
C3C C3F 1.484(4) .
C3E C3D 1.363(4) .
C3F C3K 1.381(5) .
C3F C3G 1.387(5) .
C3A C3B 1.368(5) .
C3G C3H 1.377(5) .
C3K C3J 1.385(5) .
C3I C3J 1.369(6) .
C3I C3H 1.372(6) .
C4F C4K 1.388(5) .
C4F C4G 1.392(5) .
C4F C4C 1.488(4) .
C4C C4D 1.384(5) .
C4C C4B 1.386(5) .
C4B C4A 1.381(5) .
C4D C4E 1.381(5) .
C4K C4J 1.388(5) .
C4G C4H 1.386(5) .
C4J C4I 1.364(6) .
C4I C4H 1.372(6) .
O2W H2WB 0.86(2) .
O2W H2WA 0.87(2) .
O3W H3WB 0.840(19) .
O3W H3WA 0.843(19) .
O4W H4WA 0.839(19) .
O4W H4WB 0.850(19) .
O5W H5WB 0.598(6) .
O5W H5WA 0.824(6) .
