#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:29:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179063 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/25/4302561.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_4302561
loop_
_publ_author_name
'Maarit Risto'
'Teemu T. Takaluoma'
'Tom Bajorek'
'Raija Oilunkaniemi'
'Risto S. Laitinen'
'Tristram Chivers'
_publ_section_title
;
Preparation, Structure, and Metallophilic Interactions of Dinuclear
Silver(I) and Copper(I) Complexes of Selenium Diimides
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6271
_journal_page_last               6279
_journal_paper_doi               10.1021/ic900551f
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C26 H52 Cu2 F6 N4 O8 S2 Se2'
_chemical_formula_weight         1011.84
_chemical_name_systematic
;
Bis{(mu-tert-butylimido)selane-N,N')copper(I)}-
bis(trifluoromethylsulfate)-tetrahydrofurane(2/1)

;
_space_group_IT_number           14
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.929(4)
_cell_length_b                   11.480(2)
_cell_length_c                   19.452(4)
_cell_measurement_reflns_used    6717
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.29
_cell_volume                     4019.9(15)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND (Branderburg & Berndt, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altonare, et al., 1993)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Bruker Nonius Kappaccd'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_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  0.1361
_diffrn_reflns_av_sigmaI/netI    0.1521
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21588
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    3.047
_exptl_absorpt_correction_T_max  0.8626
_exptl_absorpt_correction_T_min  0.5809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SHELXTL; Bruker, 2001)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.997
_refine_diff_density_min         -0.857
_refine_ls_extinction_coef       0.00079(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         6717
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1427
_refine_ls_R_factor_gt           0.0593
_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)+(0.0451P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                3572
_reflns_number_total             6717
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900551f_si_001_3.cif
_cod_data_source_block           cmpd3
_cod_original_cell_volume        4020.0(14)
_cod_database_code               4302561
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
Se1 Se -0.01146(5) -0.39428(6) -0.14131(4) 0.0232(2) Uani 1 1 d . . .
Se2 Se 0.50361(5) -0.09088(7) 0.14242(4) 0.0289(2) Uani 1 1 d . . .
Cu1 Cu 0.06882(6) -0.52380(8) 0.01041(5) 0.0278(3) Uani 1 1 d . . .
Cu2 Cu 0.45183(6) -0.07738(8) -0.03012(5) 0.0331(3) Uani 1 1 d . . .
S1 S 0.09926(13) -0.09971(17) -0.16907(11) 0.0307(5) Uani 1 1 d . . .
S2 S 0.60260(16) -0.3969(2) 0.23387(15) 0.0516(7) Uani 1 1 d . . .
O11 O 0.0289(3) -0.1558(5) -0.1804(4) 0.0565(19) Uani 1 1 d . . .
O12 O 0.1056(4) -0.0370(5) -0.2301(3) 0.0540(18) Uani 1 1 d . . .
O13 O 0.1618(4) -0.1684(5) -0.1315(3) 0.0536(18) Uani 1 1 d . . .
O21 O 0.5611(5) -0.4837(6) 0.2533(5) 0.095(3) Uani 1 1 d . . .
O22 O 0.6487(6) -0.3358(10) 0.2886(6) 0.163(5) Uani 1 1 d . . .
O23 O 0.5579(6) -0.3333(8) 0.1717(5) 0.138(4) Uani 1 1 d . . .
F11 F 0.0432(3) 0.0921(4) -0.1356(3) 0.0674(16) Uani 1 1 d . . .
F12 F 0.0866(5) -0.0236(5) -0.0479(3) 0.107(3) Uani 1 1 d . . .
F13 F 0.1600(3) 0.0768(4) -0.0870(3) 0.0740(19) Uani 1 1 d . . .
F21 F 0.7050(4) -0.4045(6) 0.1713(3) 0.085(2) Uani 1 1 d . . .
F22 F 0.7084(5) -0.5396(8) 0.2432(5) 0.147(4) Uani 1 1 d . . .
F23 F 0.6305(5) -0.5384(7) 0.1419(5) 0.129(3) Uani 1 1 d . . .
N1 N 0.0577(3) -0.4802(5) -0.0872(3) 0.0208(15) Uani 1 1 d . . .
N2 N -0.0717(3) -0.3782(5) -0.0908(3) 0.0233(15) Uani 1 1 d . . .
N3 N 0.4392(4) -0.1156(5) 0.0602(3) 0.0315(17) Uani 1 1 d . A .
N4 N 0.5657(4) -0.0003(5) 0.1203(3) 0.0327(17) Uani 1 1 d . . .
C1 C 0.0966(6) 0.0175(8) -0.1065(5) 0.044(2) Uani 1 1 d . . .
C2 C 0.6627(7) -0.4735(8) 0.1955(6) 0.054(3) Uani 1 1 d . . .
C10 C 0.1191(5) -0.5130(6) -0.1193(4) 0.028(2) Uani 1 1 d . . .
C11 C 0.1207(5) -0.6451(6) -0.1212(4) 0.034(2) Uani 1 1 d . . .
H11A H 0.0732 -0.6740 -0.1534 0.051 Uiso 1 1 calc R . .
H11B H 0.1286 -0.6757 -0.0723 0.051 Uiso 1 1 calc R . .
H11C H 0.1612 -0.6709 -0.1390 0.051 Uiso 1 1 calc R . .
C12 C 0.1908(4) -0.4631(7) -0.0698(4) 0.032(2) Uani 1 1 d . . .
H12A H 0.1878 -0.3779 -0.0703 0.049 Uiso 1 1 calc R . .
H12B H 0.2323 -0.4877 -0.0864 0.049 Uiso 1 1 calc R . .
H12C H 0.1987 -0.4914 -0.0204 0.049 Uiso 1 1 calc R . .
C13 C 0.1055(5) -0.4666(6) -0.1964(4) 0.032(2) Uani 1 1 d . . .
H13A H 0.1040 -0.3813 -0.1958 0.048 Uiso 1 1 calc R . .
H13B H 0.0580 -0.4966 -0.2279 0.048 Uiso 1 1 calc R . .
H13C H 0.1458 -0.4924 -0.2146 0.048 Uiso 1 1 calc R . .
C20 C -0.1320(5) -0.2894(6) -0.1205(4) 0.028(2) Uani 1 1 d . . .
C21 C -0.1094(5) -0.1795(7) -0.0769(4) 0.046(3) Uani 1 1 d . . .
H21A H -0.0994 -0.1971 -0.0255 0.068 Uiso 1 1 calc R . .
H21B H -0.1497 -0.1223 -0.0921 0.068 Uiso 1 1 calc R . .
H21C H -0.0646 -0.1476 -0.0849 0.068 Uiso 1 1 calc R . .
C22 C -0.1482(5) -0.2646(7) -0.2003(4) 0.034(2) Uani 1 1 d . . .
H22A H -0.1628 -0.3369 -0.2278 0.051 Uiso 1 1 calc R . .
H22B H -0.1036 -0.2329 -0.2089 0.051 Uiso 1 1 calc R . .
H22C H -0.1887 -0.2078 -0.2159 0.051 Uiso 1 1 calc R . .
C23 C -0.2019(5) -0.3389(8) -0.1080(5) 0.044(2) Uani 1 1 d . . .
H23A H -0.1921 -0.3550 -0.0564 0.066 Uiso 1 1 calc R . .
H23B H -0.2162 -0.4112 -0.1356 0.066 Uiso 1 1 calc R . .
H23C H -0.2424 -0.2822 -0.1240 0.066 Uiso 1 1 calc R . .
C40 C 0.6347(6) 0.0245(9) 0.1808(5) 0.065(3) Uani 1 1 d . . .
C41 C 0.6977(6) -0.0360(14) 0.1645(7) 0.130(7) Uani 1 1 d . . .
H41A H 0.6902 -0.1204 0.1646 0.196 Uiso 1 1 calc R . .
H41B H 0.7445 -0.0155 0.2012 0.196 Uiso 1 1 calc R . .
H41C H 0.6995 -0.0116 0.1168 0.196 Uiso 1 1 calc R . .
C42 C 0.6488(9) 0.1510(12) 0.1809(6) 0.155(8) Uani 1 1 d . . .
H42A H 0.6085 0.1931 0.1919 0.233 Uiso 1 1 calc R . .
H42B H 0.6510 0.1748 0.1332 0.233 Uiso 1 1 calc R . .
H42C H 0.6961 0.1692 0.2176 0.233 Uiso 1 1 calc R . .
C43 C 0.6323(6) -0.0122(8) 0.2556(4) 0.066(3) Uani 1 1 d . . .
H43A H 0.6249 -0.0967 0.2564 0.099 Uiso 1 1 calc R . .
H43B H 0.5912 0.0278 0.2664 0.099 Uiso 1 1 calc R . .
H43C H 0.6793 0.0086 0.2920 0.099 Uiso 1 1 calc R . .
O51 O 0.1214(3) -0.3631(4) 0.0681(3) 0.0422(16) Uani 1 1 d . . .
C51 C 0.1002(6) -0.2505(7) 0.0384(5) 0.066(3) Uani 1 1 d . . .
H71A H 0.0459 -0.2469 0.0147 0.079 Uiso 1 1 calc R . .
H71B H 0.1254 -0.2320 0.0020 0.079 Uiso 1 1 calc R . .
C52 C 0.1232(6) -0.1667(8) 0.0998(5) 0.053(3) Uani 1 1 d . . .
H52A H 0.1695 -0.1258 0.1007 0.063 Uiso 1 1 calc R . .
H52B H 0.0837 -0.1083 0.0964 0.063 Uiso 1 1 calc R . .
C53 C 0.1348(7) -0.2389(8) 0.1637(5) 0.070(4) Uani 1 1 d . . .
H53A H 0.0879 -0.2490 0.1756 0.084 Uiso 1 1 calc R . .
H53B H 0.1726 -0.2041 0.2058 0.084 Uiso 1 1 calc R . .
C54 C 0.1613(6) -0.3533(8) 0.1433(5) 0.053(3) Uani 1 1 d . . .
H54A H 0.2156 -0.3522 0.1516 0.064 Uiso 1 1 calc R . .
H54B H 0.1490 -0.4183 0.1711 0.064 Uiso 1 1 calc R . .
C30A C 0.3774(10) -0.1995(15) 0.0615(9) 0.040(4) Uani 0.531(12) 1 d PD A 1
C31A C 0.3859(13) -0.232(2) 0.1406(9) 0.052(6) Uani 0.531(12) 1 d PD A 1
H1AA H 0.3366 -0.2407 0.1465 0.062 Uiso 0.531(12) 1 calc PR A 1
H1BA H 0.4131 -0.1700 0.1727 0.062 Uiso 0.531(12) 1 calc PR A 1
H1CA H 0.4133 -0.3052 0.1529 0.062 Uiso 0.531(12) 1 calc PR A 1
C32A C 0.3818(10) -0.3138(13) 0.0206(8) 0.048(4) Uani 0.531(12) 1 d PD A 1
H2AA H 0.3457 -0.3700 0.0279 0.058 Uiso 0.531(12) 1 calc PR A 1
H2BA H 0.4319 -0.3465 0.0392 0.058 Uiso 0.531(12) 1 calc PR A 1
H2CA H 0.3704 -0.2974 -0.0311 0.058 Uiso 0.531(12) 1 calc PR A 1
C33A C 0.3028(9) -0.1363(19) 0.0281(10) 0.055(5) Uani 0.531(12) 1 d PD A 1
H3AA H 0.2691 -0.1549 0.0560 0.066 Uiso 0.531(12) 1 calc PR A 1
H3BA H 0.2806 -0.1618 -0.0220 0.066 Uiso 0.531(12) 1 calc PR A 1
H3CA H 0.3112 -0.0520 0.0292 0.066 Uiso 0.531(12) 1 calc PR A 1
C30B C 0.3612(12) -0.1540(16) 0.0647(10) 0.040(4) Uani 0.469(12) 1 d PD A 2
C31B C 0.3636(16) -0.221(3) 0.1343(12) 0.055(5) Uani 0.469(12) 1 d PD A 2
H1AB H 0.3137 -0.2229 0.1394 0.066 Uiso 0.469(12) 1 calc PR A 2
H1BB H 0.3977 -0.1815 0.1762 0.066 Uiso 0.469(12) 1 calc PR A 2
H1CB H 0.3809 -0.3006 0.1313 0.066 Uiso 0.469(12) 1 calc PR A 2
C32B C 0.3334(12) -0.2389(18) 0.0002(9) 0.052(6) Uani 0.469(12) 1 d PD A 2
H2AB H 0.2882 -0.2781 0.0026 0.062 Uiso 0.469(12) 1 calc PR A 2
H2BB H 0.3719 -0.2971 0.0023 0.062 Uiso 0.469(12) 1 calc PR A 2
H2CB H 0.3224 -0.1953 -0.0452 0.062 Uiso 0.469(12) 1 calc PR A 2
C33B C 0.3100(10) -0.0466(17) 0.0568(10) 0.048(4) Uani 0.469(12) 1 d PD A 2
H3AB H 0.2694 -0.0649 0.0764 0.058 Uiso 0.469(12) 1 calc PR A 2
H3BB H 0.2894 -0.0261 0.0056 0.058 Uiso 0.469(12) 1 calc PR A 2
H3CB H 0.3387 0.0192 0.0834 0.058 Uiso 0.469(12) 1 calc PR A 2
O61A O 0.5247(12) -0.2147(17) -0.0412(13) 0.0555(19) Uani 0.512(8) 1 d PD B 3
C61A C 0.5844(12) -0.2571(19) 0.0154(10) 0.078(6) Uani 0.512(8) 1 d PD B 3
H6AA H 0.5661 -0.3109 0.0459 0.094 Uiso 0.512(8) 1 calc PR B 3
H6BA H 0.6105 -0.1917 0.0460 0.094 Uiso 0.512(8) 1 calc PR B 3
C62A C 0.6376(11) -0.3212(18) -0.0167(11) 0.068(5) Uani 0.512(8) 1 d PD B 3
H7AA H 0.6551 -0.3955 0.0086 0.082 Uiso 0.512(8) 1 calc PR B 3
H7BA H 0.6808 -0.2724 -0.0164 0.082 Uiso 0.512(8) 1 calc PR B 3
C63A C 0.5847(14) -0.3410(17) -0.0941(12) 0.076(7) Uani 0.512(8) 1 d PD B 3
H8AA H 0.5415 -0.3919 -0.0977 0.091 Uiso 0.512(8) 1 calc PR B 3
H8BA H 0.6093 -0.3604 -0.1308 0.091 Uiso 0.512(8) 1 calc PR B 3
C64A C 0.5716(14) -0.2075(15) -0.0849(12) 0.116(10) Uani 0.512(8) 1 d PD B 3
H9AA H 0.6185 -0.1662 -0.0601 0.139 Uiso 0.512(8) 1 calc PR B 3
H9BA H 0.5468 -0.1693 -0.1318 0.139 Uiso 0.512(8) 1 calc PR B 3
O61B O 0.5276(13) -0.2191(17) -0.0407(13) 0.0555(19) Uani 0.488(8) 1 d PD B 4
C61B C 0.5251(13) -0.3310(17) -0.0136(11) 0.078(6) Uani 0.488(8) 1 d PD B 4
H6AB H 0.4754 -0.3659 -0.0353 0.094 Uiso 0.488(8) 1 calc PR B 4
H6BB H 0.5360 -0.3287 0.0396 0.094 Uiso 0.488(8) 1 calc PR B 4
C62B C 0.5840(12) -0.4015(17) -0.0337(12) 0.068(5) Uani 0.488(8) 1 d PD B 4
H7AB H 0.5619 -0.4741 -0.0587 0.082 Uiso 0.488(8) 1 calc PR B 4
H7BB H 0.6246 -0.4228 0.0104 0.082 Uiso 0.488(8) 1 calc PR B 4
C63B C 0.6146(13) -0.328(2) -0.0834(15) 0.076(7) Uani 0.488(8) 1 d PD B 4
H8AB H 0.6242 -0.3713 -0.1235 0.091 Uiso 0.488(8) 1 calc PR B 4
H8BB H 0.6569 -0.2770 -0.0581 0.091 Uiso 0.488(8) 1 calc PR B 4
C64B C 0.5374(14) -0.2680(17) -0.1031(11) 0.116(10) Uani 0.488(8) 1 d PD B 4
H9AB H 0.5340 -0.2064 -0.1396 0.139 Uiso 0.488(8) 1 calc PR B 4
H9BB H 0.4978 -0.3260 -0.1239 0.139 Uiso 0.488(8) 1 calc PR B 4
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'
S S 0.1246 0.1234 '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'
Se Se -0.0929 2.2259 '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
N1 Se1 N2 103.0(3) . . ?
N3 Se2 N4 102.2(3) . . ?
N1 Cu1 N2 158.8(2) . 3_545 ?
N1 Cu1 O51 100.3(2) . . ?
N2 Cu1 O51 100.3(2) 3_545 . ?
N1 Cu1 Cu1 89.57(19) . 3_545 ?
N2 Cu1 Cu1 91.44(19) 3_545 3_545 ?
O51 Cu1 Cu1 100.20(16) . 3_545 ?
N3 Cu2 N4 157.9(3) . 3_655 ?
N3 Cu2 O61A 101.1(6) . . ?
N4 Cu2 O61A 100.7(6) 3_655 . ?
N3 Cu2 O61B 100.8(6) . . ?
N4 Cu2 O61B 101.0(6) 3_655 . ?
O61A Cu2 O61B 0.4(13) . . ?
N3 Cu2 Cu2 90.7(2) . 3_655 ?
N4 Cu2 Cu2 89.6(2) 3_655 3_655 ?
O61A Cu2 Cu2 99.6(7) . 3_655 ?
O61B Cu2 Cu2 99.3(7) . 3_655 ?
O13 S1 O12 115.9(4) . . ?
O13 S1 O11 114.6(4) . . ?
O12 S1 O11 114.4(4) . . ?
O13 S1 C1 104.8(4) . . ?
O12 S1 C1 102.1(4) . . ?
O11 S1 C1 102.6(4) . . ?
O22 S2 O21 116.2(6) . . ?
O22 S2 O23 117.9(8) . . ?
O21 S2 O23 110.9(6) . . ?
O22 S2 C2 104.4(6) . . ?
O21 S2 C2 104.4(5) . . ?
O23 S2 C2 100.6(5) . . ?
C10 N1 Se1 115.1(4) . . ?
C10 N1 Cu1 118.5(5) . . ?
Se1 N1 Cu1 126.1(3) . . ?
C20 N2 Se1 114.1(4) . . ?
C20 N2 Cu1 122.5(4) . 3_545 ?
Se1 N2 Cu1 123.0(3) . 3_545 ?
C30A N3 C30B 23.0(7) . . ?
C30A N3 Se2 114.8(7) . . ?
C30B N3 Se2 113.9(7) . . ?
C30A N3 Cu2 118.7(7) . . ?
C30B N3 Cu2 120.5(8) . . ?
Se2 N3 Cu2 124.8(4) . . ?
C40 N4 Se2 114.7(5) . . ?
C40 N4 Cu2 119.9(5) . 3_655 ?
Se2 N4 Cu2 125.1(4) . 3_655 ?
F12 C1 F11 108.2(8) . . ?
F12 C1 F13 107.4(8) . . ?
F11 C1 F13 107.2(7) . . ?
F12 C1 S1 111.0(6) . . ?
F11 C1 S1 111.7(7) . . ?
F13 C1 S1 111.1(7) . . ?
F23 C2 F22 106.8(9) . . ?
F23 C2 F21 104.5(9) . . ?
F22 C2 F21 105.3(10) . . ?
F23 C2 S2 115.3(9) . . ?
F22 C2 S2 111.1(8) . . ?
F21 C2 S2 113.2(7) . . ?
C12 C10 C11 112.0(7) . . ?
C12 C10 N1 107.0(6) . . ?
C11 C10 N1 106.2(6) . . ?
C12 C10 C13 109.7(6) . . ?
C11 C10 C13 108.8(6) . . ?
N1 C10 C13 113.2(6) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C21 C20 N2 107.6(6) . . ?
C21 C20 C22 110.6(6) . . ?
N2 C20 C22 114.2(6) . . ?
C21 C20 C23 109.3(7) . . ?
N2 C20 C23 106.2(6) . . ?
C22 C20 C23 108.8(7) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C42 C40 N4 107.6(9) . . ?
C42 C40 C41 107.5(11) . . ?
N4 C40 C41 107.8(9) . . ?
C42 C40 C43 109.2(9) . . ?
N4 C40 C43 114.9(8) . . ?
C41 C40 C43 109.5(9) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C51 O51 C54 109.8(6) . . ?
C51 O51 Cu1 121.4(5) . . ?
C54 O51 Cu1 126.4(5) . . ?
O51 C51 C52 106.5(7) . . ?
O51 C51 H71A 110.4 . . ?
C52 C51 H71A 110.4 . . ?
O51 C51 H71B 110.4 . . ?
C52 C51 H71B 110.4 . . ?
H71A C51 H71B 108.6 . . ?
C53 C52 C51 104.3(8) . . ?
C53 C52 H52A 110.9 . . ?
C51 C52 H52A 110.9 . . ?
C53 C52 H52B 110.9 . . ?
C51 C52 H52B 110.9 . . ?
H52A C52 H52B 108.9 . . ?
C52 C53 C54 104.3(7) . . ?
C52 C53 H53A 110.9 . . ?
C54 C53 H53A 110.9 . . ?
C52 C53 H53B 110.9 . . ?
C54 C53 H53B 110.9 . . ?
H53A C53 H53B 108.9 . . ?
O51 C54 C53 103.1(7) . . ?
O51 C54 H54A 111.2 . . ?
C53 C54 H54A 111.2 . . ?
O51 C54 H54B 111.2 . . ?
C53 C54 H54B 111.2 . . ?
H54A C54 H54B 109.1 . . ?
N3 C30A C33A 107.7(13) . . ?
N3 C30A C31A 109.0(13) . . ?
C33A C30A C31A 109.4(14) . . ?
N3 C30A C32A 111.4(12) . . ?
C33A C30A C32A 111.7(14) . . ?
C31A C30A C32A 107.6(13) . . ?
C30A C31A H1AA 109.5 . . ?
C30A C31A H1BA 109.5 . . ?
H1AA C31A H1BA 109.5 . . ?
C30A C31A H1CA 109.5 . . ?
H1AA C31A H1CA 109.5 . . ?
H1BA C31A H1CA 109.5 . . ?
C30A C32A H2AA 109.5 . . ?
C30A C32A H2BA 109.5 . . ?
H2AA C32A H2BA 109.5 . . ?
C30A C32A H2CA 109.5 . . ?
H2AA C32A H2CA 109.5 . . ?
H2BA C32A H2CA 109.5 . . ?
C30A C33A H3AA 109.5 . . ?
C30A C33A H3BA 109.5 . . ?
H3AA C33A H3BA 109.5 . . ?
C30A C33A H3CA 109.5 . . ?
H3AA C33A H3CA 109.5 . . ?
H3BA C33A H3CA 109.5 . . ?
C31B C30B C33B 109.4(15) . . ?
C31B C30B C32B 107.9(15) . . ?
C33B C30B C32B 112.1(15) . . ?
C31B C30B N3 114.5(15) . . ?
C33B C30B N3 110.0(14) . . ?
C32B C30B N3 102.8(13) . . ?
C30B C31B H1AB 109.5 . . ?
C30B C31B H1BB 109.5 . . ?
H1AB C31B H1BB 109.5 . . ?
C30B C31B H1CB 109.5 . . ?
H1AB C31B H1CB 109.5 . . ?
H1BB C31B H1CB 109.5 . . ?
C30B C32B H2AB 109.5 . . ?
C30B C32B H2BB 109.5 . . ?
H2AB C32B H2BB 109.5 . . ?
C30B C32B H2CB 109.5 . . ?
H2AB C32B H2CB 109.5 . . ?
H2BB C32B H2CB 109.5 . . ?
C30B C33B H3AB 109.5 . . ?
C30B C33B H3BB 109.5 . . ?
H3AB C33B H3BB 109.5 . . ?
C30B C33B H3CB 109.5 . . ?
H3AB C33B H3CB 109.5 . . ?
H3BB C33B H3CB 109.5 . . ?
C61A O61A C64A 89.3(13) . . ?
C61A O61A Cu2 124.3(14) . . ?
C64A O61A Cu2 124.2(14) . . ?
O61A C61A C62A 108.7(11) . . ?
O61A C61A C64A 45.5(7) . . ?
C62A C61A C64A 68.3(9) . . ?
O61A C61A H6AA 110.0 . . ?
C62A C61A H6AA 110.0 . . ?
C64A C61A H6AA 144.4 . . ?
O61A C61A H6BA 110.0 . . ?
C62A C61A H6BA 110.0 . . ?
C64A C61A H6BA 105.2 . . ?
H6AA C61A H6BA 108.3 . . ?
C61A C62A C63A 99.1(13) . . ?
C61A C62A C64A 66.5(8) . . ?
C63A C62A C64A 50.7(6) . . ?
C61A C62A H7AA 111.9 . . ?
C63A C62A H7AA 111.9 . . ?
C64A C62A H7AA 159.6 . . ?
C61A C62A H7BA 111.9 . . ?
C63A C62A H7BA 111.9 . . ?
C64A C62A H7BA 88.9 . . ?
H7AA C62A H7BA 109.6 . . ?
C62A C63A C64A 79.8(11) . . ?
C62A C63A H8AA 115.3 . . ?
C64A C63A H8AA 115.3 . . ?
C62A C63A H8BA 115.3 . . ?
C64A C63A H8BA 115.3 . . ?
H8AA C63A H8BA 112.3 . . ?
O61A C64A C63A 99.4(13) . . ?
O61A C64A C61A 45.1(7) . . ?
C63A C64A C61A 81.7(10) . . ?
O61A C64A C62A 86.7(9) . . ?
C63A C64A C62A 49.5(6) . . ?
C61A C64A C62A 45.2(5) . . ?
O61A C64A H9AA 111.9 . . ?
C63A C64A H9AA 111.9 . . ?
C61A C64A H9AA 80.8 . . ?
C62A C64A H9AA 73.0 . . ?
O61A C64A H9BA 111.9 . . ?
C63A C64A H9BA 111.9 . . ?
C61A C64A H9BA 156.4 . . ?
C62A C64A H9BA 157.1 . . ?
H9AA C64A H9BA 109.6 . . ?
C61B O61B C64B 89.3(13) . . ?
C61B O61B Cu2 122.7(14) . . ?
C64B O61B Cu2 129.5(14) . . ?
O61B C61B C62B 106.1(12) . . ?
O61B C61B C64B 45.4(7) . . ?
C62B C61B C64B 70.8(9) . . ?
O61B C61B H6AB 110.5 . . ?
C62B C61B H6AB 110.5 . . ?
C64B C61B H6AB 97.3 . . ?
O61B C61B H6BB 110.5 . . ?
C62B C61B H6BB 110.5 . . ?
C64B C61B H6BB 150.7 . . ?
H6AB C61B H6BB 108.7 . . ?
C61B C62B C63B 108.6(12) . . ?
C61B C62B H7AB 110.0 . . ?
C63B C62B H7AB 110.0 . . ?
C61B C62B H7BB 110.0 . . ?
C63B C62B H7BB 110.0 . . ?
H7AB C62B H7BB 108.3 . . ?
C62B C63B C64B 83.6(11) . . ?
C62B C63B H8AB 114.7 . . ?
C64B C63B H8AB 114.7 . . ?
C62B C63B H8BB 114.7 . . ?
C64B C63B H8BB 114.7 . . ?
H8AB C63B H8BB 111.8 . . ?
O61B C64B C63B 109.3(15) . . ?
O61B C64B C61B 45.3(7) . . ?
C63B C64B C61B 88.8(10) . . ?
O61B C64B H9AB 109.8 . . ?
C63B C64B H9AB 109.8 . . ?
C61B C64B H9AB 154.1 . . ?
O61B C64B H9BB 109.8 . . ?
C63B C64B H9BB 109.8 . . ?
C61B C64B H9BB 80.5 . . ?
H9AB C64B H9BB 108.3 . . ?
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
Se1 N1 1.714(6) . ?
Se1 N2 1.729(6) . ?
Se2 N3 1.709(6) . ?
Se2 N4 1.721(7) . ?
Cu1 N1 1.912(5) . ?
Cu1 N2 1.913(6) 3_545 ?
Cu1 O51 2.228(5) . ?
Cu1 Cu1 2.569(2) 3_545 ?
Cu2 N3 1.896(6) . ?
Cu2 N4 1.904(6) 3_655 ?
Cu2 O61A 2.149(16) . ?
Cu2 O61B 2.221(17) . ?
Cu2 Cu2 2.556(2) 3_655 ?
S1 O13 1.422(6) . ?
S1 O12 1.425(6) . ?
S1 O11 1.434(6) . ?
S1 C1 1.825(9) . ?
S2 O22 1.346(9) . ?
S2 O21 1.391(7) . ?
S2 O23 1.442(8) . ?
S2 C2 1.775(10) . ?
F11 C1 1.313(10) . ?
F12 C1 1.301(10) . ?
F13 C1 1.328(10) . ?
F21 C2 1.313(10) . ?
F22 C2 1.299(12) . ?
F23 C2 1.273(11) . ?
N1 C10 1.528(9) . ?
N2 C20 1.506(9) . ?
N2 Cu1 1.913(6) 3_545 ?
N3 C30A 1.52(2) . ?
N3 C30B 1.57(2) . ?
N4 C40 1.490(11) . ?
N4 Cu2 1.904(6) 3_655 ?
C10 C12 1.513(11) . ?
C10 C11 1.517(10) . ?
C10 C13 1.536(10) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C20 C21 1.506(10) . ?
C20 C22 1.514(10) . ?
C20 C23 1.528(11) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C40 C42 1.477(15) . ?
C40 C41 1.495(16) . ?
C40 C43 1.530(12) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
O51 C51 1.423(9) . ?
O51 C54 1.428(10) . ?
C51 C52 1.491(11) . ?
C51 H71A 0.9900 . ?
C51 H71B 0.9900 . ?
C52 C53 1.453(11) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.502(12) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C30A C33A 1.541(9) . ?
C30A C31A 1.544(9) . ?
C30A C32A 1.550(9) . ?
C31A H1AA 0.9800 . ?
C31A H1BA 0.9800 . ?
C31A H1CA 0.9800 . ?
C32A H2AA 0.9800 . ?
C32A H2BA 0.9800 . ?
C32A H2CA 0.9800 . ?
C33A H3AA 0.9800 . ?
C33A H3BA 0.9800 . ?
C33A H3CA 0.9800 . ?
C30B C31B 1.543(9) . ?
C30B C33B 1.546(9) . ?
C30B C32B 1.547(9) . ?
C31B H1AB 0.9800 . ?
C31B H1BB 0.9800 . ?
C31B H1CB 0.9800 . ?
C32B H2AB 0.9800 . ?
C32B H2BB 0.9800 . ?
C32B H2CB 0.9800 . ?
C33B H3AB 0.9800 . ?
C33B H3BB 0.9800 . ?
C33B H3CB 0.9800 . ?
O61A C61A 1.398(9) . ?
O61A C64A 1.408(9) . ?
C61A C62A 1.528(9) . ?
C61A C64A 1.97(2) . ?
C61A H6AA 0.9900 . ?
C61A H6BA 0.9900 . ?
C62A C63A 1.546(9) . ?
C62A C64A 2.00(2) . ?
C62A H7AA 0.9900 . ?
C62A H7BA 0.9900 . ?
C63A C64A 1.572(9) . ?
C63A H8AA 0.9900 . ?
C63A H8BA 0.9900 . ?
C64A H9AA 0.9900 . ?
C64A H9BA 0.9900 . ?
O61B C61B 1.395(9) . ?
O61B C64B 1.399(9) . ?
C61B C62B 1.524(9) . ?
C61B C64B 1.96(2) . ?
C61B H6AB 0.9900 . ?
C61B H6BB 0.9900 . ?
C62B C63B 1.527(9) . ?
C62B H7AB 0.9900 . ?
C62B H7BB 0.9900 . ?
C63B C64B 1.552(9) . ?
C63B H8AB 0.9900 . ?
C63B H8BB 0.9900 . ?
C64B H9AB 0.9900 . ?
C64B H9BB 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Se1 N1 C10 178.1(5) . . . . ?
N2 Se1 N1 Cu1 -8.3(4) . . . . ?
N2 Cu1 N1 C10 -73.7(9) 3_545 . . . ?
O51 Cu1 N1 C10 93.1(5) . . . . ?
Cu1 Cu1 N1 C10 -166.6(5) 3_545 . . . ?
N2 Cu1 N1 Se1 112.9(7) 3_545 . . . ?
O51 Cu1 N1 Se1 -80.3(4) . . . . ?
Cu1 Cu1 N1 Se1 20.0(3) 3_545 . . . ?
N1 Se1 N2 C20 170.4(5) . . . . ?
N1 Se1 N2 Cu1 -16.1(4) . . . 3_545 ?
N4 Se2 N3 C30A 177.2(7) . . . . ?
N4 Se2 N3 C30B -157.5(8) . . . . ?
N4 Se2 N3 Cu2 12.4(5) . . . . ?
N4 Cu2 N3 C30A 81.5(10) 3_655 . . . ?
O61A Cu2 N3 C30A -87.7(10) . . . . ?
O61B Cu2 N3 C30A -88.0(10) . . . . ?
Cu2 Cu2 N3 C30A 172.3(7) 3_655 . . . ?
N4 Cu2 N3 C30B 55.0(12) 3_655 . . . ?
O61A Cu2 N3 C30B -114.2(11) . . . . ?
O61B Cu2 N3 C30B -114.5(11) . . . . ?
Cu2 Cu2 N3 C30B 145.9(8) 3_655 . . . ?
N4 Cu2 N3 Se2 -114.3(7) 3_655 . . . ?
O61A Cu2 N3 Se2 76.5(8) . . . . ?
O61B Cu2 N3 Se2 76.2(8) . . . . ?
Cu2 Cu2 N3 Se2 -23.4(4) 3_655 . . . ?
N3 Se2 N4 C40 -172.3(7) . . . . ?
N3 Se2 N4 Cu2 13.5(5) . . . 3_655 ?
O13 S1 C1 F12 -62.3(8) . . . . ?
O12 S1 C1 F12 176.4(7) . . . . ?
O11 S1 C1 F12 57.7(8) . . . . ?
O13 S1 C1 F11 176.8(7) . . . . ?
O12 S1 C1 F11 55.5(8) . . . . ?
O11 S1 C1 F11 -63.2(7) . . . . ?
O13 S1 C1 F13 57.1(7) . . . . ?
O12 S1 C1 F13 -64.2(7) . . . . ?
O11 S1 C1 F13 177.1(6) . . . . ?
O22 S2 C2 F23 179.9(10) . . . . ?
O21 S2 C2 F23 57.5(10) . . . . ?
O23 S2 C2 F23 -57.5(10) . . . . ?
O22 S2 C2 F22 58.3(10) . . . . ?
O21 S2 C2 F22 -64.1(10) . . . . ?
O23 S2 C2 F22 -179.1(9) . . . . ?
O22 S2 C2 F21 -59.9(10) . . . . ?
O21 S2 C2 F21 177.7(8) . . . . ?
O23 S2 C2 F21 62.7(10) . . . . ?
Se1 N1 C10 C12 118.5(5) . . . . ?
Cu1 N1 C10 C12 -55.6(7) . . . . ?
Se1 N1 C10 C11 -121.8(5) . . . . ?
Cu1 N1 C10 C11 64.1(7) . . . . ?
Se1 N1 C10 C13 -2.5(8) . . . . ?
Cu1 N1 C10 C13 -176.6(5) . . . . ?
Se1 N2 C20 C21 -100.8(6) . . . . ?
Cu1 N2 C20 C21 85.6(7) 3_545 . . . ?
Se1 N2 C20 C22 22.3(8) . . . . ?
Cu1 N2 C20 C22 -151.2(5) 3_545 . . . ?
Se1 N2 C20 C23 142.2(5) . . . . ?
Cu1 N2 C20 C23 -31.4(8) 3_545 . . . ?
Se2 N4 C40 C42 -134.3(9) . . . . ?
Cu2 N4 C40 C42 40.3(13) 3_655 . . . ?
Se2 N4 C40 C41 110.0(8) . . . . ?
Cu2 N4 C40 C41 -75.4(9) 3_655 . . . ?
Se2 N4 C40 C43 -12.5(12) . . . . ?
Cu2 N4 C40 C43 162.1(7) 3_655 . . . ?
N1 Cu1 O51 C51 37.5(7) . . . . ?
N2 Cu1 O51 C51 -147.3(7) 3_545 . . . ?
Cu1 Cu1 O51 C51 -53.9(7) 3_545 . . . ?
N1 Cu1 O51 C54 -161.8(7) . . . . ?
N2 Cu1 O51 C54 13.4(7) 3_545 . . . ?
Cu1 Cu1 O51 C54 106.8(7) 3_545 . . . ?
C54 O51 C51 C52 -4.5(11) . . . . ?
Cu1 O51 C51 C52 159.0(6) . . . . ?
O51 C51 C52 C53 -17.4(12) . . . . ?
C51 C52 C53 C54 31.6(12) . . . . ?
C51 O51 C54 C53 23.8(10) . . . . ?
Cu1 O51 C54 C53 -138.7(6) . . . . ?
C52 C53 C54 O51 -34.3(11) . . . . ?
C30B N3 C30A C33A 31(2) . . . . ?
Se2 N3 C30A C33A 124.0(10) . . . . ?
Cu2 N3 C30A C33A -70.2(11) . . . . ?
C30B N3 C30A C31A -88(3) . . . . ?
Se2 N3 C30A C31A 5.5(13) . . . . ?
Cu2 N3 C30A C31A 171.2(10) . . . . ?
C30B N3 C30A C32A 154(4) . . . . ?
Se2 N3 C30A C32A -113.1(11) . . . . ?
Cu2 N3 C30A C32A 52.6(13) . . . . ?
C30A N3 C30B C31B 68(3) . . . . ?
Se2 N3 C30B C31B -29.3(15) . . . . ?
Cu2 N3 C30B C31B 160.3(13) . . . . ?
C30A N3 C30B C33B -168(4) . . . . ?
Se2 N3 C30B C33B 94.4(13) . . . . ?
Cu2 N3 C30B C33B -76.0(12) . . . . ?
C30A N3 C30B C32B -49(3) . . . . ?
Se2 N3 C30B C32B -146.1(10) . . . . ?
Cu2 N3 C30B C32B 43.5(14) . . . . ?
N3 Cu2 O61A C61A -41(2) . . . . ?
N4 Cu2 O61A C61A 143.5(19) 3_655 . . . ?
O61B Cu2 O61A C61A 2(100) . . . . ?
Cu2 Cu2 O61A C61A 52(2) 3_655 . . . ?
N3 Cu2 O61A C64A -157(2) . . . . ?
N4 Cu2 O61A C64A 27(2) 3_655 . . . ?
O61B Cu2 O61A C64A -115(100) . . . . ?
Cu2 Cu2 O61A C64A -64(2) 3_655 . . . ?
C64A O61A C61A C62A -28(2) . . . . ?
Cu2 O61A C61A C62A -160.7(16) . . . . ?
Cu2 O61A C61A C64A -132(2) . . . . ?
O61A C61A C62A C63A -18(2) . . . . ?
C64A C61A C62A C63A -39.7(12) . . . . ?
O61A C61A C62A C64A 21.5(17) . . . . ?
C61A C62A C63A C64A 49.2(15) . . . . ?
C61A O61A C64A C63A 68.3(18) . . . . ?
Cu2 O61A C64A C63A -159.4(16) . . . . ?
Cu2 O61A C64A C61A 132(3) . . . . ?
C61A O61A C64A C62A 20.2(15) . . . . ?
Cu2 O61A C64A C62A 152.5(17) . . . . ?
C62A C63A C64A O61A -77.5(16) . . . . ?
C62A C63A C64A C61A -35.8(11) . . . . ?
C62A C61A C64A O61A 151(2) . . . . ?
O61A C61A C64A C63A -112(2) . . . . ?
C62A C61A C64A C63A 38.8(13) . . . . ?
O61A C61A C64A C62A -151(2) . . . . ?
C61A C62A C64A O61A -20.2(16) . . . . ?
C63A C62A C64A O61A 105.2(18) . . . . ?
C61A C62A C64A C63A -125.4(19) . . . . ?
C63A C62A C64A C61A 125.4(19) . . . . ?
N3 Cu2 O61B C61B 33(2) . . . . ?
N4 Cu2 O61B C61B -143(2) 3_655 . . . ?
O61A Cu2 O61B C61B -105(100) . . . . ?
Cu2 Cu2 O61B C61B 125(2) 3_655 . . . ?
N3 Cu2 O61B C64B 154(2) . . . . ?
N4 Cu2 O61B C64B -22(2) 3_655 . . . ?
O61A Cu2 O61B C64B 16(100) . . . . ?
Cu2 Cu2 O61B C64B -114(2) 3_655 . . . ?
C64B O61B C61B C62B 40(2) . . . . ?
Cu2 O61B C61B C62B 178.5(16) . . . . ?
Cu2 O61B C61B C64B 139(2) . . . . ?
O61B C61B C62B C63B -7(3) . . . . ?
C64B C61B C62B C63B 21.6(17) . . . . ?
C61B C62B C63B C64B -26(2) . . . . ?
C61B O61B C64B C63B -67.8(19) . . . . ?
Cu2 O61B C64B C63B 158.5(18) . . . . ?
Cu2 O61B C64B C61B -134(3) . . . . ?
C62B C63B C64B O61B 60(2) . . . . ?
C62B C63B C64B C61B 19.0(15) . . . . ?
C62B C61B C64B O61B -139(2) . . . . ?
O61B C61B C64B C63B 119(2) . . . . ?
C62B C61B C64B C63B -20.1(16) . . . . ?
