#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:19:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179890 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/86/7018695.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_7018695
loop_
_publ_author_name
'Abdul-Kadir, Maisara'
'Hanton, Lyall R.'
'Sumby, Christopher J.'
_publ_section_title
;
 Building blocks for coordination polymers: self-assembled cleft-like and
 planar discrete metallo-macrocyclic complexes.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4497
_journal_page_last               4505
_journal_paper_doi               10.1039/c2dt12320g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C24 H20 Cl2 Cu2 N6 O16'
_chemical_formula_weight         846.44
_chemical_name_systematic
;
?
;
_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                 112.636(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.659(3)
_cell_length_b                   13.711(2)
_cell_length_c                   15.440(3)
_cell_measurement_reflns_used    9995
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.65
_cell_measurement_theta_min      2.79
_cell_volume                     2864.2(9)
_computing_cell_refinement       'APEXII (Bruker, 2004)'
_computing_data_collection       'APEXII (Bruker, 2004)'
_computing_data_reduction        'APEXII (Bruker, 2004)'
_computing_molecular_graphics    'XSeed (Barbour, 2001)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            57356
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.766
_exptl_absorpt_correction_T_max  0.8030
_exptl_absorpt_correction_T_min  0.5173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Using multiple and symmetry-related data measurements
via the program SADABS.
See R.H. Blessing, Acta Cryst (1995), A51, 33-38
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.672
_refine_diff_density_min         -0.830
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6259
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0493
_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)+(0.0758P)²+7.8606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                5539
_reflns_number_total             6259
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12320g.txt
_cod_data_source_block           compound_11
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7018695
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
Cu1 Cu 0.56290(3) 0.65967(3) -0.12992(3) 0.01420(13) Uani 1 1 d .
Cu2 Cu 0.06864(3) -0.13377(3) -0.14672(3) 0.01656(13) Uani 1 1 d .
N1A N -0.03438(19) -0.1995(2) -0.24528(19) 0.0152(5) Uani 1 1 d .
N1B N 0.45904(18) 0.71095(19) -0.23857(18) 0.0117(5) Uani 1 1 d .
C2A C -0.0137(2) -0.2690(2) -0.2959(2) 0.0150(6) Uani 1 1 d .
C2B C 0.4783(2) 0.7685(2) -0.3010(2) 0.0123(6) Uani 1 1 d .
C3A C -0.0831(3) -0.3228(3) -0.3664(3) 0.0218(7) Uani 1 1 d .
H3A H -0.0653 -0.3701 -0.4021 0.026 Uiso 1 1 calc R
C3B C 0.4074(2) 0.8076(2) -0.3820(2) 0.0175(6) Uani 1 1 d .
H3B H 0.4241 0.8471 -0.4243 0.021 Uiso 1 1 calc R
C4A C -0.1758(3) -0.3035(3) -0.3804(3) 0.0254(8) Uani 1 1 d .
H4A H -0.2283 -0.3364 -0.4282 0.030 Uiso 1 1 calc R
C4B C 0.3154(2) 0.7858(2) -0.3959(2) 0.0190(7) Uani 1 1 d .
H4B H 0.2624 0.8100 -0.4494 0.023 Uiso 1 1 calc R
C5A C -0.1958(3) -0.2333(3) -0.3234(3) 0.0237(7) Uani 1 1 d .
H5A H -0.2627 -0.2212 -0.3324 0.028 Uiso 1 1 calc R
C5B C 0.2961(2) 0.7256(2) -0.3296(2) 0.0159(6) Uani 1 1 d .
H5B H 0.2295 0.7104 -0.3397 0.019 Uiso 1 1 calc R
C6A C -0.1229(2) -0.1816(2) -0.2554(2) 0.0163(6) Uani 1 1 d .
C6B C 0.3713(2) 0.6885(2) -0.2509(2) 0.0123(6) Uani 1 1 d .
C12A C 0.0912(2) -0.2857(2) -0.2623(2) 0.0156(6) Uani 1 1 d .
C12B C 0.5829(2) 0.7840(2) -0.2696(2) 0.0149(6) Uani 1 1 d .
O13A O 0.14207(16) -0.22937(17) -0.19417(17) 0.0194(5) Uani 1 1 d .
O13B O 0.63411(15) 0.74131(17) -0.19074(16) 0.0170(5) Uani 1 1 d .
N13 N 0.29196(18) 0.59001(18) -0.16827(18) 0.0117(5) Uani 1 1 d .
H13 H 0.2377 0.6084 -0.2149 0.014 Uiso 1 1 calc R
O14A O 0.11832(17) -0.35467(17) -0.29835(17) 0.0188(5) Uani 1 1 d .
O14B O 0.61106(17) 0.83822(19) -0.31955(19) 0.0232(6) Uani 1 1 d .
C16A C -0.1236(2) -0.1064(2) -0.1811(2) 0.0159(6) Uani 1 1 d .
C16B C 0.3732(2) 0.6195(2) -0.1699(2) 0.0120(6) Uani 1 1 d .
O17A O -0.04775(16) -0.07023(17) -0.12711(17) 0.0177(5) Uani 1 1 d .
O17B O 0.45102(15) 0.59346(17) -0.10827(16) 0.0172(5) Uani 1 1 d .
N18A N -0.20681(19) -0.0855(2) -0.17735(19) 0.0150(5) Uani 1 1 d .
H18A H -0.2597 -0.1083 -0.2230 0.018 Uiso 1 1 calc R
N21A N -0.17109(19) 0.0718(2) 0.0388(2) 0.0156(5) Uani 1 1 d .
N21B N 0.33400(18) 0.41320(19) 0.03389(19) 0.0134(5) Uani 1 1 d .
C22A C -0.1532(2) 0.0235(2) -0.0318(2) 0.0151(6) Uani 1 1 d .
H22A H -0.0876 0.0254 -0.0299 0.018 Uiso 1 1 calc R
C22B C 0.3500(2) 0.4692(2) -0.0329(2) 0.0120(6) Uani 1 1 d .
H22B H 0.4137 0.4669 -0.0354 0.014 Uiso 1 1 calc R
C23A C -0.2236(2) -0.0280(2) -0.1057(2) 0.0153(6) Uani 1 1 d .
C23B C 0.2799(2) 0.5285(2) -0.0965(2) 0.0119(6) Uani 1 1 d .
C24A C -0.3145(2) -0.0240(2) -0.1081(2) 0.0196(7) Uani 1 1 d .
H24A H -0.3673 -0.0546 -0.1574 0.024 Uiso 1 1 calc R
C24B C 0.1915(2) 0.5268(2) -0.0917(3) 0.0190(7) Uani 1 1 d .
H24B H 0.1388 0.5645 -0.1341 0.023 Uiso 1 1 calc R
C25A C -0.3321(2) 0.0266(3) -0.0360(3) 0.0224(7) Uani 1 1 d .
H25A H -0.3977 0.0287 -0.0382 0.027 Uiso 1 1 calc R
C25B C 0.1766(2) 0.4682(3) -0.0227(3) 0.0217(7) Uani 1 1 d .
H25B H 0.1131 0.4679 -0.0196 0.026 Uiso 1 1 calc R
C26A C -0.2583(2) 0.0731(3) 0.0376(3) 0.0198(7) Uani 1 1 d .
H26A H -0.2725 0.1049 0.0857 0.024 Uiso 1 1 calc R
C26B C 0.2492(2) 0.4123(2) 0.0395(2) 0.0184(7) Uani 1 1 d .
H26B H 0.2372 0.3740 0.0854 0.022 Uiso 1 1 calc R
O27A O 0.0998(2) -0.0204(2) -0.2463(2) 0.0382(7) Uani 1 1 d .
H27A H 0.0491 0.0099 -0.2758 0.057 Uiso 1 1 d R
H27C H 0.1353 -0.0074 -0.2806 0.057 Uiso 1 1 d R
O27B O 0.5684(2) 0.7717(2) -0.0171(2) 0.0371(7) Uani 1 1 d .
H27B H 0.5238 0.8116 -0.0397 0.056 Uiso 1 1 d R
H27D H 0.5733 0.7666 0.0402 0.056 Uiso 1 1 d R
Cl30 Cl 0.00891(6) -0.32086(6) -0.02823(6) 0.02033(19) Uani 1 1 d .
O31 O 0.07764(18) -0.24680(19) -0.01682(19) 0.0254(6) Uani 1 1 d .
O32 O -0.08150(19) -0.2770(2) -0.0517(2) 0.0319(6) Uani 1 1 d .
O33 O 0.0043(2) -0.3838(2) -0.1085(2) 0.0331(6) Uani 1 1 d .
O34 O 0.0357(2) -0.3761(2) 0.0618(2) 0.0344(7) Uani 1 1 d .
Cl35 Cl 0.59854(7) 0.50006(7) -0.30934(6) 0.0269(2) Uani 1 1 d .
O36 O 0.5492(2) 0.5099(2) -0.2451(2) 0.0315(6) Uani 1 1 d .
O37 O 0.5689(3) 0.4123(2) -0.3666(2) 0.0468(8) Uani 1 1 d .
O38 O 0.6955(2) 0.4942(3) -0.2518(3) 0.0576(10) Uani 1 1 d .
O39 O 0.5768(3) 0.5815(2) -0.3745(3) 0.0526(9) 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'
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_1
_geom_angle_site_symmetry_3
N21B Cu1 O13B 104.73(10) 3_665 .
N21B Cu1 O17B 94.92(10) 3_665 .
O13B Cu1 O17B 159.91(9) . .
N21B Cu1 O27B 88.59(12) 3_665 .
O13B Cu1 O27B 96.29(11) . .
O17B Cu1 O27B 88.20(11) . .
N21A Cu2 O13A 104.54(10) 3 .
N21A Cu2 O17A 95.73(10) 3 .
O13A Cu2 O17A 158.57(9) . .
N21A Cu2 O27A 89.51(11) 3 .
O13A Cu2 O27A 85.77(10) . .
O17A Cu2 O27A 101.48(10) . .
C6A N1A C2A 121.1(3) . .
C6B N1B C2B 120.8(3) . .
N1A C2A C3A 125.2(3) . .
N1A C2A C12A 110.7(3) . .
C3A C2A C12A 124.0(3) . .
N1B C2B C3B 125.2(3) . .
N1B C2B C12B 109.5(3) . .
C3B C2B C12B 125.3(3) . .
C4A C3A C2A 115.0(3) . .
C4A C3A H3A 122.5 . .
C2A C3A H3A 122.5 . .
C4B C3B C2B 115.0(3) . .
C4B C3B H3B 122.5 . .
C2B C3B H3B 122.5 . .
C3A C4A C5A 118.9(3) . .
C3A C4A H4A 120.5 . .
C5A C4A H4A 120.5 . .
C3B C4B C5B 119.3(3) . .
C3B C4B H4B 120.4 . .
C5B C4B H4B 120.4 . .
C6A C5A C4A 122.9(3) . .
C6A C5A H5A 118.6 . .
C4A C5A H5A 118.6 . .
C6B C5B C4B 122.1(3) . .
C6B C5B H5B 118.9 . .
C4B C5B H5B 118.9 . .
N1A C6A C5A 116.9(3) . .
N1A C6A C16A 109.7(3) . .
C5A C6A C16A 133.3(3) . .
N1B C6B C5B 117.5(3) . .
N1B C6B C16B 108.9(3) . .
C5B C6B C16B 133.6(3) . .
O14A C12A O13A 129.9(3) . .
O14A C12A C2A 116.3(3) . .
O13A C12A C2A 113.7(3) . .
O14B C12B O13B 129.6(3) . .
O14B C12B C2B 116.4(3) . .
O13B C12B C2B 114.0(3) . .
C12A O13A Cu2 117.9(2) . .
C12B O13B Cu1 118.42(19) . .
C16B N13 C23B 126.2(3) . .
C16B N13 H13 116.9 . .
C23B N13 H13 116.9 . .
O17A C16A N18A 121.2(3) . .
O17A C16A C6A 121.2(3) . .
N18A C16A C6A 117.6(3) . .
O17B C16B N13 119.5(3) . .
O17B C16B C6B 121.6(3) . .
N13 C16B C6B 118.9(3) . .
C16A O17A Cu2 108.8(2) . .
C16B O17B Cu1 108.3(2) . .
C16A N18A C23A 126.9(3) . .
C16A N18A H18A 116.5 . .
C23A N18A H18A 116.5 . .
C26A N21A C22A 119.4(3) . .
C26A N21A Cu2 116.3(2) . 3
C22A N21A Cu2 124.2(2) . 3
C26B N21B C22B 120.5(3) . .
C26B N21B Cu1 115.8(2) . 3_665
C22B N21B Cu1 123.6(2) . 3_665
N21A C22A C23A 125.4(3) . .
N21A C22A H22A 117.3 . .
C23A C22A H22A 117.3 . .
N21B C22B C23B 124.6(3) . .
N21B C22B H22B 117.7 . .
C23B C22B H22B 117.7 . .
C24A C23A C22A 115.0(3) . .
C24A C23A N18A 117.7(3) . .
C22A C23A N18A 127.3(3) . .
C24B C23B C22B 115.2(3) . .
C24B C23B N13 117.4(3) . .
C22B C23B N13 127.4(3) . .
C23A C24A C25A 119.0(3) . .
C23A C24A H24A 120.5 . .
C25A C24A H24A 120.5 . .
C23B C24B C25B 119.2(3) . .
C23B C24B H24B 120.4 . .
C25B C24B H24B 120.4 . .
C26A C25A C24A 123.3(3) . .
C26A C25A H25A 118.4 . .
C24A C25A H25A 118.4 . .
C26B C25B C24B 123.0(3) . .
C26B C25B H25B 118.5 . .
C24B C25B H25B 118.5 . .
N21A C26A C25A 117.9(3) . .
N21A C26A H26A 121.1 . .
C25A C26A H26A 121.1 . .
N21B C26B C25B 117.5(3) . .
N21B C26B H26B 121.3 . .
C25B C26B H26B 121.3 . .
Cu2 O27A H27A 109.6 . .
Cu2 O27A H27C 145.7 . .
H27A O27A H27C 100.3 . .
Cu1 O27B H27B 109.4 . .
Cu1 O27B H27D 133.4 . .
H27B O27B H27D 103.2 . .
O32 Cl30 O31 106.98(17) . .
O32 Cl30 O33 107.75(18) . .
O31 Cl30 O33 109.05(17) . .
O32 Cl30 O34 110.42(17) . .
O31 Cl30 O34 109.46(17) . .
O33 Cl30 O34 112.98(18) . .
O38 Cl35 O36 103.4(2) . .
O38 Cl35 O39 113.2(3) . .
O36 Cl35 O39 111.71(19) . .
O38 Cl35 O37 109.9(2) . .
O36 Cl35 O37 112.53(19) . .
O39 Cl35 O37 106.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N21B 1.938(3) 3_665
Cu1 O13B 1.995(2) .
Cu1 O17B 2.012(2) .
Cu1 O27B 2.301(3) .
Cu2 N21A 1.957(3) 3
Cu2 O13A 2.005(2) .
Cu2 O17A 2.039(2) .
Cu2 O27A 2.351(3) .
N1A C6A 1.269(4) .
N1A C2A 1.340(4) .
N1B C6B 1.264(4) .
N1B C2B 1.357(4) .
C2A C3A 1.382(5) .
C2A C12A 1.439(4) .
C2B C3B 1.389(5) .
C2B C12B 1.435(4) .
C3A C4A 1.318(5) .
C3A H3A 0.9500 .
C3B C4B 1.316(4) .
C3B H3B 0.9500 .
C4A C5A 1.410(5) .
C4A H4A 0.9500 .
C4B C5B 1.426(4) .
C4B H4B 0.9500 .
C5A C6A 1.372(5) .
C5A H5A 0.9500 .
C5B C6B 1.385(4) .
C5B H5B 0.9500 .
C6A C16A 1.545(5) .
C6B C16B 1.559(4) .
C12A O14A 1.238(4) .
C12A O13A 1.286(4) .
C12B O14B 1.250(4) .
C12B O13B 1.299(4) .
N13 C16B 1.267(4) .
N13 C23B 1.456(4) .
N13 H13 0.8800 .
C16A O17A 1.210(4) .
C16A N18A 1.276(4) .
C16B O17B 1.225(4) .
N18A C23A 1.455(4) .
N18A H18A 0.8800 .
N21A C26A 1.272(4) .
N21A C22A 1.384(4) .
N21A Cu2 1.957(3) 3
N21B C26B 1.280(4) .
N21B C22B 1.376(4) .
N21B Cu1 1.938(3) 3_665
C22A C23A 1.399(5) .
C22A H22A 0.9500 .
C22B C23B 1.380(4) .
C22B H22B 0.9500 .
C23A C24A 1.319(4) .
C23B C24B 1.326(4) .
C24A C25A 1.417(5) .
C24A H24A 0.9500 .
C24B C25B 1.417(5) .
C24B H24B 0.9500 .
C25A C26A 1.386(5) .
C25A H25A 0.9500 .
C25B C26B 1.362(5) .
C25B H25B 0.9500 .
C26A H26A 0.9500 .
C26B H26B 0.9500 .
O27A H27A 0.8200 .
O27A H27C 0.8919 .
O27B H27B 0.8199 .
O27B H27D 0.8622 .
Cl30 O32 1.371(3) .
Cl30 O31 1.393(3) .
Cl30 O33 1.491(3) .
Cl30 O34 1.496(3) .
Cl35 O38 1.358(3) .
Cl35 O36 1.442(3) .
Cl35 O39 1.453(3) .
Cl35 O37 1.457(3) .
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
C6A N1A C2A C3A 4.5(5) .
C6A N1A C2A C12A -171.2(3) .
C6B N1B C2B C3B 0.0(5) .
C6B N1B C2B C12B 178.9(3) .
N1A C2A C3A C4A -2.1(5) .
C12A C2A C3A C4A 173.0(3) .
N1B C2B C3B C4B 0.6(5) .
C12B C2B C3B C4B -178.2(3) .
C2A C3A C4A C5A -1.0(6) .
C2B C3B C4B C5B -0.4(5) .
C3A C4A C5A C6A 2.0(6) .
C3B C4B C5B C6B -0.3(5) .
C2A N1A C6A C5A -3.2(5) .
C2A N1A C6A C16A 173.9(3) .
C4A C5A C6A N1A 0.1(6) .
C4A C5A C6A C16A -176.1(4) .
C2B N1B C6B C5B -0.7(5) .
C2B N1B C6B C16B 178.1(3) .
C4B C5B C6B N1B 0.9(5) .
C4B C5B C6B C16B -177.6(3) .
N1A C2A C12A O14A 173.7(3) .
C3A C2A C12A O14A -2.0(5) .
N1A C2A C12A O13A -2.1(4) .
C3A C2A C12A O13A -177.8(3) .
N1B C2B C12B O14B -178.2(3) .
C3B C2B C12B O14B 0.8(5) .
N1B C2B C12B O13B -0.3(4) .
C3B C2B C12B O13B 178.7(3) .
O14A C12A O13A Cu2 -173.8(3) .
C2A C12A O13A Cu2 1.3(4) .
N21A Cu2 O13A C12A 175.5(2) 3
O17A Cu2 O13A C12A 14.8(4) .
O27A Cu2 O13A C12A -96.2(2) .
O14B C12B O13B Cu1 179.7(3) .
C2B C12B O13B Cu1 2.1(4) .
N21B Cu1 O13B C12B 166.9(2) 3_665
O17B Cu1 O13B C12B -0.8(4) .
O27B Cu1 O13B C12B -102.9(2) .
N1A C6A C16A O17A 3.2(4) .
C5A C6A C16A O17A 179.7(4) .
N1A C6A C16A N18A -175.2(3) .
C5A C6A C16A N18A 1.2(6) .
C23B N13 C16B O17B 2.3(5) .
C23B N13 C16B C6B -177.7(3) .
N1B C6B C16B O17B -1.4(4) .
C5B C6B C16B O17B 177.1(3) .
N1B C6B C16B N13 178.6(3) .
C5B C6B C16B N13 -2.8(5) .
N18A C16A O17A Cu2 173.7(3) .
C6A C16A O17A Cu2 -4.7(4) .
N21A Cu2 O17A C16A -172.2(2) 3
O13A Cu2 O17A C16A -11.1(4) .
O27A Cu2 O17A C16A 97.1(2) .
N13 C16B O17B Cu1 -177.1(2) .
C6B C16B O17B Cu1 2.9(4) .
N21B Cu1 O17B C16B -172.2(2) 3_665
O13B Cu1 O17B C16B -4.2(4) .
O27B Cu1 O17B C16B 99.3(2) .
O17A C16A N18A C23A -7.7(5) .
C6A C16A N18A C23A 170.8(3) .
C26A N21A C22A C23A -1.7(5) .
Cu2 N21A C22A C23A 174.6(2) 3
C26B N21B C22B C23B 1.1(5) .
Cu1 N21B C22B C23B -173.9(2) 3_665
N21A C22A C23A C24A 3.6(5) .
N21A C22A C23A N18A -175.2(3) .
C16A N18A C23A C24A -172.1(3) .
C16A N18A C23A C22A 6.6(5) .
N21B C22B C23B C24B -1.9(5) .
N21B C22B C23B N13 179.5(3) .
C16B N13 C23B C24B 161.8(3) .
C16B N13 C23B C22B -19.5(5) .
C22A C23A C24A C25A -2.7(5) .
N18A C23A C24A C25A 176.2(3) .
C22B C23B C24B C25B 1.4(5) .
N13 C23B C24B C25B -179.8(3) .
C23A C24A C25A C26A 0.3(6) .
C23B C24B C25B C26B -0.4(6) .
C22A N21A C26A C25A -0.9(5) .
Cu2 N21A C26A C25A -177.6(3) 3
C24A C25A C26A N21A 1.7(6) .
C22B N21B C26B C25B 0.1(5) .
Cu1 N21B C26B C25B 175.5(3) 3_665
C24B C25B C26B N21B -0.4(6) .
