#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:47:04 +0300 (Sat, 06 May 2017) $
#$Revision: 196339 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/52/1545287.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_1545287
loop_
_publ_author_name
'Goswami, V. E.'
'Walli, A.'
'Förster, M'
'Dechert, S.'
'Demeshko, S.'
'Holthausen, M. C.'
'Meyer, F.'
_publ_section_title
;
 Acid/base triggered interconversion of μ-η(2):η(2)-peroxido and
 bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands.
;
_journal_issue                   4
_journal_name_full               'Chemical science'
_journal_page_first              3031
_journal_page_last               3037
_journal_paper_doi               10.1039/c6sc04820j
_journal_volume                  8
_journal_year                    2017
_chemical_formula_moiety
'C26 H44 Cu2 N4 O4 2+, 2(C15 H25 Cu N3 O2 +), 4(Cl O4 -)'
_chemical_formula_sum            'C56 H94 Cl4 Cu4 N10 O24'
_chemical_formula_weight         1687.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-10-25 deposited with the CCDC.
2017-01-23 downloaded from the CCDC.
;
_cell_angle_alpha                106.670(4)
_cell_angle_beta                 96.765(4)
_cell_angle_gamma                118.889(3)
_cell_formula_units_Z            1
_cell_length_a                   12.2247(6)
_cell_length_b                   12.3904(5)
_cell_length_c                   15.0274(7)
_cell_measurement_reflns_used    25354
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      26.739
_cell_measurement_theta_min      1.486
_cell_volume                     1817.80(18)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2012)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25354
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.739
_diffrn_reflns_theta_min         1.486
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.381
_exptl_absorpt_correction_T_max  0.7235
_exptl_absorpt_correction_T_min  0.5289
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-RED (Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.320
_refine_diff_density_max         0.533
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         7693
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0339
_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)+(0.0495P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0799
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6079
_reflns_number_total             7693
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6sc04820j2.cif
_cod_data_source_block           1-vg277
_cod_depositor_comments
;Adding full bibliography for 1545287--1545291.cif.

 Adding full bibliography for 1545287--1545291.cif.
;
_cod_original_cell_volume        1817.79(16)
_cod_database_code               1545287
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.545
_shelx_estimated_absorpt_t_max   0.666
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.83559(3) 0.33655(3) 0.11894(2) 0.02656(8) Uani 1 1 d . . . . .
N1 N 0.73790(17) 0.37856(18) 0.03820(13) 0.0226(4) Uani 1 1 d . . . . .
N2 N 0.97693(17) 0.52900(18) 0.19448(13) 0.0238(4) Uani 1 1 d . . . . .
O1 O 0.69098(18) 0.49953(18) -0.02404(14) 0.0450(5) Uani 1 1 d . . . . .
O2 O 1.07817(16) 0.75159(15) 0.24805(12) 0.0336(4) Uani 1 1 d . . . . .
N3 N 0.8330(2) 0.1914(2) 0.13266(15) 0.0343(5) Uani 1 1 d . . . . .
C1 C 0.8970(2) 0.6302(2) 0.10136(16) 0.0241(4) Uani 1 1 d . . . . .
C2 C 0.8633(2) 0.7349(2) 0.14558(18) 0.0302(5) Uani 1 1 d . . . . .
H2A H 0.8044 0.7327 0.0939 0.045 Uiso 1 1 calc R U . . .
H2B H 0.9441 0.8245 0.1763 0.045 Uiso 1 1 calc R U . . .
H2C H 0.8201 0.7140 0.1947 0.045 Uiso 1 1 calc R U . . .
C3 C 0.9774(2) 0.6728(3) 0.03184(18) 0.0326(5) Uani 1 1 d . . . . .
H3A H 0.9972 0.6056 0.0018 0.049 Uiso 1 1 calc R U . . .
H3B H 1.0596 0.7600 0.0689 0.049 Uiso 1 1 calc R U . . .
H3C H 0.9265 0.6798 -0.0192 0.049 Uiso 1 1 calc R U . . .
C4 C 0.7723(2) 0.4946(2) 0.04063(16) 0.0249(4) Uani 1 1 d . . . . .
C5 C 0.5760(3) 0.3644(3) -0.0741(2) 0.0472(7) Uani 1 1 d . . . . .
H5A H 0.5535 0.3380 -0.1457 0.057 Uiso 1 1 calc R U . . .
H5B H 0.4997 0.3573 -0.0533 0.057 Uiso 1 1 calc R U . . .
C6 C 0.6147(2) 0.2756(2) -0.04472(16) 0.0282(5) Uani 1 1 d . . . . .
C7 C 0.5141(3) 0.1780(3) -0.0116(2) 0.0436(6) Uani 1 1 d . . . . .
H7A H 0.4929 0.2266 0.0400 0.065 Uiso 1 1 calc R U . . .
H7B H 0.5496 0.1330 0.0137 0.065 Uiso 1 1 calc R U . . .
H7C H 0.4344 0.1110 -0.0668 0.065 Uiso 1 1 calc R U . . .
C8 C 0.6502(3) 0.2030(3) -0.12446(18) 0.0422(6) Uani 1 1 d . . . . .
H8A H 0.5720 0.1378 -0.1812 0.063 Uiso 1 1 calc R U . . .
H8B H 0.6840 0.1561 -0.1000 0.063 Uiso 1 1 calc R U . . .
H8C H 0.7177 0.2683 -0.1435 0.063 Uiso 1 1 calc R U . . .
C9 C 0.9822(2) 0.6288(2) 0.18268(15) 0.0230(4) Uani 1 1 d . . . . .
C10 C 1.1572(2) 0.7326(2) 0.31485(17) 0.0293(5) Uani 1 1 d . . . . .
H10A H 1.1650 0.7786 0.3833 0.035 Uiso 1 1 calc R U . . .
H10B H 1.2462 0.7679 0.3078 0.035 Uiso 1 1 calc R U . . .
C11 C 1.0825(2) 0.5797(2) 0.28512(16) 0.0252(4) Uani 1 1 d . . . . .
C12 C 1.0158(2) 0.5341(3) 0.35872(17) 0.0315(5) Uani 1 1 d . . . . .
H12A H 0.9541 0.5625 0.3667 0.047 Uiso 1 1 calc R U . . .
H12B H 1.0823 0.5744 0.4217 0.047 Uiso 1 1 calc R U . . .
H12C H 0.9681 0.4361 0.3350 0.047 Uiso 1 1 calc R U . . .
C13 C 1.1675(2) 0.5236(3) 0.26132(18) 0.0330(5) Uani 1 1 d . . . . .
H13A H 1.1134 0.4255 0.2363 0.050 Uiso 1 1 calc R U . . .
H13B H 1.2380 0.5584 0.3205 0.050 Uiso 1 1 calc R U . . .
H13C H 1.2057 0.5511 0.2118 0.050 Uiso 1 1 calc R U . . .
C14 C 0.8447(2) 0.1076(2) 0.13816(18) 0.0298(5) Uani 1 1 d . . . . .
C15 C 0.8605(3) 0.0012(3) 0.1452(2) 0.0363(6) Uani 1 1 d . . . . .
H15A H 0.8180 -0.0312 0.1915 0.054 Uiso 1 1 calc R U . . .
H15B H 0.9542 0.0358 0.1678 0.054 Uiso 1 1 calc R U . . .
H15C H 0.8201 -0.0729 0.0809 0.054 Uiso 1 1 calc R U . . .
Cu2 Cu 0.60662(3) 0.67082(3) 0.55697(2) 0.02785(8) Uani 1 1 d . . . . .
N11 N 0.49313(17) 0.68345(18) 0.62644(13) 0.0231(4) Uani 1 1 d . . . . .
N12 N 0.27546(17) 0.31842(18) 0.51453(13) 0.0231(4) Uani 1 1 d . . . . .
O11 O 0.36331(15) 0.65915(16) 0.72171(12) 0.0302(4) Uani 1 1 d . . . . .
O12 O 0.18551(14) 0.33438(16) 0.63431(11) 0.0258(3) Uani 1 1 d . . . . .
C21 C 0.4204(2) 0.4937(2) 0.68272(16) 0.0237(4) Uani 1 1 d . . . . .
C22 C 0.5364(2) 0.4823(3) 0.66536(19) 0.0345(5) Uani 1 1 d . . . . .
H22A H 0.5223 0.3987 0.6681 0.052 Uiso 1 1 calc R U . . .
H22B H 0.6176 0.5588 0.7158 0.052 Uiso 1 1 calc R U . . .
H22C H 0.5432 0.4824 0.6010 0.052 Uiso 1 1 calc R U . . .
C23 C 0.4155(2) 0.4960(2) 0.78464(17) 0.0319(5) Uani 1 1 d . . . . .
H23A H 0.3432 0.5048 0.7984 0.048 Uiso 1 1 calc R U . . .
H23B H 0.4985 0.5723 0.8333 0.048 Uiso 1 1 calc R U . . .
H23C H 0.4016 0.4124 0.7874 0.048 Uiso 1 1 calc R U . . .
C24 C 0.4323(2) 0.6188(2) 0.67523(16) 0.0229(4) Uani 1 1 d . . . . .
C25 C 0.3990(3) 0.7868(2) 0.7144(2) 0.0338(5) Uani 1 1 d . . . . .
H25A H 0.4615 0.8635 0.7765 0.041 Uiso 1 1 calc R U . . .
H25B H 0.3202 0.7903 0.6977 0.041 Uiso 1 1 calc R U . . .
C26 C 0.4627(2) 0.7895(2) 0.63239(17) 0.0270(5) Uani 1 1 d . . . . .
C27 C 0.3663(3) 0.7413(3) 0.5343(2) 0.0420(6) Uani 1 1 d . . . . .
H27A H 0.4087 0.7360 0.4831 0.063 Uiso 1 1 calc R U . . .
H27B H 0.3392 0.8045 0.5370 0.063 Uiso 1 1 calc R U . . .
H27C H 0.2891 0.6523 0.5195 0.063 Uiso 1 1 calc R U . . .
C28 C 0.5848(2) 0.9233(2) 0.65475(19) 0.0351(5) Uani 1 1 d . . . . .
H28A H 0.6494 0.9483 0.7144 0.053 Uiso 1 1 calc R U . . .
H28B H 0.5630 0.9914 0.6641 0.053 Uiso 1 1 calc R U . . .
H28C H 0.6217 0.9175 0.6004 0.053 Uiso 1 1 calc R U . . .
C29 C 0.2928(2) 0.3769(2) 0.60510(16) 0.0220(4) Uani 1 1 d . . . . .
C30 C 0.0820(2) 0.2109(2) 0.55289(17) 0.0299(5) Uani 1 1 d . . . . .
H30A H -0.0024 0.2053 0.5442 0.036 Uiso 1 1 calc R U . . .
H30B H 0.0703 0.1311 0.5634 0.036 Uiso 1 1 calc R U . . .
C31 C 0.1305(2) 0.2207(2) 0.46462(16) 0.0254(4) Uani 1 1 d . . . . .
C32 C 0.0808(3) 0.2852(3) 0.41233(19) 0.0351(5) Uani 1 1 d . . . . .
H32A H 0.1029 0.3716 0.4594 0.053 Uiso 1 1 calc R U . . .
H32B H -0.0146 0.2258 0.3828 0.053 Uiso 1 1 calc R U . . .
H32C H 0.1223 0.2994 0.3613 0.053 Uiso 1 1 calc R U . . .
C33 C 0.1011(2) 0.0880(2) 0.39458(18) 0.0314(5) Uani 1 1 d . . . . .
H33A H 0.1395 0.1014 0.3420 0.047 Uiso 1 1 calc R U . . .
H33B H 0.0059 0.0244 0.3669 0.047 Uiso 1 1 calc R U . . .
H33C H 0.1389 0.0522 0.4295 0.047 Uiso 1 1 calc R U . . .
Cl1 Cl 0.32521(5) 0.07074(6) 0.64207(4) 0.02822(12) Uani 1 1 d . . . . .
O21 O 0.3241(2) -0.0019(2) 0.70116(16) 0.0519(5) Uani 1 1 d . . . . .
O22 O 0.2453(3) -0.0204(2) 0.54498(16) 0.0677(7) Uani 1 1 d . . . . .
O23 O 0.2765(2) 0.1522(2) 0.68023(17) 0.0566(6) Uani 1 1 d . . . . .
O24 O 0.4568(2) 0.1536(2) 0.64313(19) 0.0599(6) Uani 1 1 d . . . . .
Cl2A Cl 0.77619(14) 0.85344(14) 0.86753(10) 0.0368(3) Uani 0.805(4) 1 d D . P A
1
O31A O 0.7996(3) 0.8059(3) 0.7770(2) 0.0622(9) Uani 0.805(4) 1 d D . P A 1
O32A O 0.8748(3) 0.9909(2) 0.9221(2) 0.0559(8) Uani 0.805(4) 1 d D . P A 1
O33A O 0.7686(4) 0.7743(3) 0.9214(2) 0.0767(11) Uani 0.805(4) 1 d D . P A 1
O34A O 0.6504(3) 0.8365(4) 0.8443(2) 0.0651(9) Uani 0.805(4) 1 d D . P A 1
Cl2B Cl 0.7853(7) 0.8324(7) 0.8462(5) 0.0368(3) Uani 0.195(4) 1 d D . P A 2
O31B O 0.7664(13) 0.7472(13) 0.7535(9) 0.0622(9) Uani 0.195(4) 1 d D . P A 2
O32B O 0.8530(10) 0.9678(9) 0.8570(10) 0.0559(8) Uani 0.195(4) 1 d D . P A 2
O33B O 0.8652(14) 0.8237(13) 0.9201(9) 0.0767(11) Uani 0.195(4) 1 d D . P A 2
O34B O 0.6648(10) 0.7933(15) 0.8664(9) 0.0651(9) Uani 0.195(4) 1 d D . P A 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'
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'
Cl Cl 0.1484 0.1585 '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_3
N3 Cu1 N1 141.13(8) .
N3 Cu1 N2 125.90(8) .
N1 Cu1 N2 92.83(7) .
C4 N1 C6 108.71(17) .
C4 N1 Cu1 126.75(15) .
C6 N1 Cu1 124.27(14) .
C9 N2 C11 108.66(18) .
C9 N2 Cu1 126.30(15) .
C11 N2 Cu1 124.34(14) .
C4 O1 C5 106.78(18) .
C9 O2 C10 106.70(16) .
C14 N3 Cu1 171.9(2) .
C4 C1 C9 113.69(17) .
C4 C1 C2 110.06(18) .
C9 C1 C2 109.16(18) .
C4 C1 C3 107.18(18) .
C9 C1 C3 107.89(17) .
C2 C1 C3 108.72(18) .
N1 C4 O1 116.5(2) .
N1 C4 C1 130.03(19) .
O1 C4 C1 113.30(18) .
O1 C5 C6 104.85(18) .
N1 C6 C7 110.6(2) .
N1 C6 C8 107.67(18) .
C7 C6 C8 110.7(2) .
N1 C6 C5 101.32(18) .
C7 C6 C5 113.9(2) .
C8 C6 C5 112.2(2) .
N2 C9 O2 117.21(19) .
N2 C9 C1 128.97(19) .
O2 C9 C1 113.77(17) .
O2 C10 C11 104.75(17) .
N2 C11 C13 109.46(18) .
N2 C11 C12 107.42(17) .
C13 C11 C12 111.33(19) .
N2 C11 C10 102.13(17) .
C13 C11 C10 112.64(19) .
C12 C11 C10 113.28(19) .
N3 C14 C15 179.6(3) .
N11 Cu2 N12 171.43(8) 2_666
C24 N11 C26 108.09(17) .
C24 N11 Cu2 132.52(15) .
C26 N11 Cu2 119.38(14) .
C29 N12 C31 108.06(17) .
C29 N12 Cu2 132.20(16) 2_666
C31 N12 Cu2 119.66(14) 2_666
C24 O11 C25 105.88(16) .
C29 O12 C30 105.46(16) .
C29 C21 C24 104.94(16) .
C29 C21 C23 111.04(18) .
C24 C21 C23 110.04(17) .
C29 C21 C22 110.78(18) .
C24 C21 C22 112.61(18) .
C23 C21 C22 107.49(18) .
N11 C24 O11 117.25(19) .
N11 C24 C21 127.93(18) .
O11 C24 C21 114.69(18) .
O11 C25 C26 104.38(16) .
C28 C26 N11 111.53(18) .
C28 C26 C27 110.5(2) .
N11 C26 C27 107.19(18) .
C28 C26 C25 113.64(19) .
N11 C26 C25 101.06(17) .
C27 C26 C25 112.4(2) .
N12 C29 O12 116.5(2) .
N12 C29 C21 127.50(19) .
O12 C29 C21 115.92(18) .
O12 C30 C31 104.22(17) .
N12 C31 C33 111.31(17) .
N12 C31 C30 100.30(17) .
C33 C31 C30 112.98(19) .
N12 C31 C32 107.96(18) .
C33 C31 C32 111.57(19) .
C30 C31 C32 112.09(18) .
O22 Cl1 O23 109.42(14) .
O22 Cl1 O24 109.62(16) .
O23 Cl1 O24 109.65(14) .
O22 Cl1 O21 109.78(15) .
O23 Cl1 O21 109.75(13) .
O24 Cl1 O21 108.61(13) .
O32A Cl2A O33A 111.6(2) .
O32A Cl2A O34A 110.0(2) .
O33A Cl2A O34A 106.6(2) .
O32A Cl2A O31A 109.97(19) .
O33A Cl2A O31A 110.9(2) .
O34A Cl2A O31A 107.7(2) .
O31B Cl2B O32B 111.4(8) .
O31B Cl2B O34B 111.1(8) .
O32B Cl2B O34B 111.2(8) .
O31B Cl2B O33B 109.8(8) .
O32B Cl2B O33B 106.9(7) .
O34B Cl2B O33B 106.2(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N3 1.8540(19) .
Cu1 N1 1.9469(17) .
Cu1 N2 1.9909(18) .
N1 C4 1.276(3) .
N1 C6 1.496(3) .
N2 C9 1.271(3) .
N2 C11 1.493(3) .
O1 C4 1.342(3) .
O1 C5 1.449(3) .
O2 C9 1.342(3) .
O2 C10 1.457(3) .
N3 C14 1.138(3) .
C1 C4 1.516(3) .
C1 C9 1.520(3) .
C1 C2 1.542(3) .
C1 C3 1.547(3) .
C5 C6 1.537(3) .
C6 C7 1.509(4) .
C6 C8 1.522(3) .
C10 C11 1.539(3) .
C11 C13 1.527(3) .
C11 C12 1.528(3) .
C14 C15 1.452(3) .
Cu2 N11 1.8699(17) .
Cu2 N12 1.8738(17) 2_666
N11 C24 1.274(3) .
N11 C26 1.511(3) .
N12 C29 1.281(3) .
N12 C31 1.504(3) .
N12 Cu2 1.8739(17) 2_666
O11 C24 1.340(2) .
O11 C25 1.466(3) .
O12 C29 1.338(2) .
O12 C30 1.459(3) .
C21 C29 1.520(3) .
C21 C24 1.524(3) .
C21 C23 1.532(3) .
C21 C22 1.535(3) .
C25 C26 1.533(3) .
C26 C28 1.504(3) .
C26 C27 1.525(3) .
C30 C31 1.527(3) .
C31 C33 1.513(3) .
C31 C32 1.530(3) .
Cl1 O22 1.418(2) .
Cl1 O23 1.4250(18) .
Cl1 O24 1.425(2) .
Cl1 O21 1.4311(19) .
Cl2A O32A 1.417(3) .
Cl2A O33A 1.419(3) .
Cl2A O34A 1.432(3) .
Cl2A O31A 1.440(3) .
Cl2B O31B 1.398(10) .
Cl2B O32B 1.413(10) .
Cl2B O34B 1.413(10) .
Cl2B O33B 1.455(11) .
