#------------------------------------------------------------------------------
#$Date: 2017-05-05 10:54:48 +0200 (vie 05 de may de 2017) $
#$Revision: 196244 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/29/7042909.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_7042909
loop_
_publ_author_name
'Reddy, Andrew'
'Sangenito, Leandro Stefano'
'Guedes, Arthur de Azevedo'
'Branquinha, Marta Helena'
'Kavanagh, Kevin'
'McGinley, John'
'Dos Santos, André Luis Souza'
'Velasco-Torrijos, Trinidad'
_publ_section_title
;
 Glycosylated metal chelators as anti-parasitic agents with tunable
 selectivity.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5297
_journal_page_last               5307
_journal_paper_doi               10.1039/c6dt04615k
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety
'C30 H34 Cl4 Cu2 N6 O2, C26 H28 Cl4 Cu2 N4 O2'
_chemical_formula_sum            'C56 H62 Cl8 Cu4 N10 O4'
_chemical_formula_weight         1476.91
_chemical_melting_point          451
_chemical_name_systematic
'Cis-dichloro(N-[4-(hydroxyphenyl)methyl]-2-pyridinemethamino)copper '
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-11-23 deposited with the CCDC.
2017-03-27 downloaded from the CCDC.
;
_cell_angle_alpha                113.9980(10)
_cell_angle_beta                 96.5800(10)
_cell_angle_gamma                115.3470(10)
_cell_formula_units_Z            1
_cell_length_a                   11.9914(6)
_cell_length_b                   12.6755(6)
_cell_length_c                   12.6960(6)
_cell_measurement_reflns_used    9795
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.10
_cell_measurement_theta_min      2.22
_cell_volume                     1492.65(13)
_computing_cell_refinement       'SAINT+ Ver. 8.34A (Bruker, 2013)'
_computing_data_collection       'APEX2 Ver. 2014.11-0 (Bruker, 2014)'
_computing_data_reduction        'SAINT+ Ver. 8.34A (Bruker, 2013)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2008-2014)'
_computing_publication_material  'SHELXTL (Bruker, 2008-2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.258
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            58825
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.211
_diffrn_reflns_theta_min         1.874
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.819
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker, 2014/5) was used for absorption correction.
wR2(int) was 0.0472 before and 0.0380 after correction.
The Ratio of minimum to maximum transmission is 0.925.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_description       fragment
_exptl_crystal_F_000             752
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Acetonitrile'
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         8816
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0223
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0273P)²+0.7451P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0542
_refine_ls_wR_factor_ref         0.0572
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7707
_reflns_number_total             8816
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04615k2.cif
_cod_data_source_block           tcd375
_cod_original_cell_volume        1492.64(13)
_cod_database_code               7042909
_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   0.680
_shelx_estimated_absorpt_t_max   0.811
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
C2 C 0.31742(13) 0.84895(14) 0.73585(13) 0.0162(2) Uani 1 1 d . .
H2 H 0.2420 0.8500 0.7055 0.019 Uiso 1 1 calc R U
C3 C 0.33687(14) 0.84328(14) 0.84248(13) 0.0180(3) Uani 1 1 d . .
H3 H 0.2759 0.8406 0.8845 0.022 Uiso 1 1 calc R U
C4 C 0.44737(14) 0.84157(14) 0.88720(12) 0.0178(3) Uani 1 1 d . .
H4 H 0.4622 0.8361 0.9595 0.021 Uiso 1 1 calc R U
C5 C 0.53550(13) 0.84794(14) 0.82439(12) 0.0161(2) Uani 1 1 d . .
H5 H 0.6123 0.8484 0.8538 0.019 Uiso 1 1 calc R U
C6 C 0.50947(12) 0.85367(13) 0.71776(12) 0.0132(2) Uani 1 1 d . .
C7 C 0.60456(13) 0.86879(15) 0.65008(12) 0.0155(2) Uani 1 1 d . .
H7A H 0.6767 0.9649 0.6923 0.019 Uiso 1 1 calc R U
H7B H 0.6437 0.8143 0.6510 0.019 Uiso 1 1 calc R U
C9 C 0.50975(13) 0.68718(14) 0.43184(13) 0.0163(2) Uani 1 1 d . .
H9A H 0.4669 0.6642 0.3478 0.020 Uiso 1 1 calc R U
H9B H 0.4466 0.6199 0.4487 0.020 Uiso 1 1 calc R U
C10 C 0.63074(13) 0.67547(14) 0.43553(12) 0.0145(2) Uani 1 1 d . .
C11 C 0.61948(13) 0.55170(14) 0.40738(12) 0.0160(2) Uani 1 1 d . .
H11 H 0.5360 0.4761 0.3865 0.019 Uiso 1 1 calc R U
C12 C 0.72834(14) 0.53743(14) 0.40945(13) 0.0168(2) Uani 1 1 d . .
H12 H 0.7188 0.4524 0.3889 0.020 Uiso 1 1 calc R U
C13 C 0.85139(13) 0.64845(14) 0.44173(12) 0.0153(2) Uani 1 1 d . .
C14 C 0.86463(13) 0.77235(14) 0.47003(12) 0.0158(2) Uani 1 1 d . .
H14 H 0.9484 0.8481 0.4918 0.019 Uiso 1 1 calc R U
C15 C 0.75457(13) 0.78492(14) 0.46627(12) 0.0164(2) Uani 1 1 d . .
H15 H 0.7640 0.8696 0.4850 0.020 Uiso 1 1 calc R U
C17 C 0.12532(13) 0.51709(14) 0.36542(12) 0.0162(2) Uani 1 1 d . .
C18 C 0.00112(14) 0.38884(14) 0.31129(13) 0.0202(3) Uani 1 1 d . .
H18A H -0.0431 0.3905 0.3717 0.030 Uiso 1 1 calc R U
H18B H 0.0181 0.3148 0.2870 0.030 Uiso 1 1 calc R U
H18C H -0.0552 0.3749 0.2386 0.030 Uiso 1 1 calc R U
C20 C 0.38477(13) 0.34051(14) 1.07188(13) 0.0182(3) Uani 1 1 d . .
H20 H 0.3979 0.3819 1.1573 0.022 Uiso 1 1 calc R U
C21 C 0.49254(14) 0.38084(16) 1.03523(15) 0.0223(3) Uani 1 1 d . .
H21 H 0.5783 0.4491 1.0943 0.027 Uiso 1 1 calc R U
C22 C 0.47267(15) 0.31931(17) 0.90998(15) 0.0245(3) Uani 1 1 d . .
H22 H 0.5452 0.3437 0.8824 0.029 Uiso 1 1 calc R U
C23 C 0.34646(15) 0.22256(16) 0.82634(14) 0.0221(3) Uani 1 1 d . .
H23 H 0.3310 0.1802 0.7405 0.027 Uiso 1 1 calc R U
C24 C 0.24223(14) 0.18795(14) 0.86936(12) 0.0164(2) Uani 1 1 d . .
C25 C 0.10232(14) 0.08214(15) 0.78373(12) 0.0184(3) Uani 1 1 d . .
H25A H 0.0827 0.0984 0.7158 0.022 Uiso 1 1 calc R U
H25B H 0.0917 -0.0086 0.7474 0.022 Uiso 1 1 calc R U
C27 C -0.05707(13) 0.15663(14) 0.83008(12) 0.0159(2) Uani 1 1 d . .
H27A H -0.1300 0.1388 0.8629 0.019 Uiso 1 1 calc R U
H27B H -0.0957 0.1189 0.7407 0.019 Uiso 1 1 calc R U
C28 C 0.03529(13) 0.30756(14) 0.89115(12) 0.0147(2) Uani 1 1 d . .
C29 C 0.07460(13) 0.39231(14) 1.01827(12) 0.0155(2) Uani 1 1 d . .
H29 H 0.0444 0.3534 1.0669 0.019 Uiso 1 1 calc R U
C30 C 0.15653(13) 0.53172(14) 1.07471(12) 0.0158(2) Uani 1 1 d . .
H30 H 0.1833 0.5876 1.1612 0.019 Uiso 1 1 calc R U
C31 C 0.19925(13) 0.58893(14) 1.00266(12) 0.0153(2) Uani 1 1 d . .
C32 C 0.16223(14) 0.50671(14) 0.87636(12) 0.0178(3) Uani 1 1 d . .
H32 H 0.1926 0.5456 0.8277 0.021 Uiso 1 1 calc R U
C33 C 0.08029(14) 0.36699(14) 0.82177(12) 0.0174(3) Uani 1 1 d . .
H33 H 0.0546 0.3111 0.7354 0.021 Uiso 1 1 calc R U
Cl1 Cl 0.40313(3) 0.86259(3) 0.33793(3) 0.01670(6) Uani 1 1 d . .
Cl2 Cl 0.22082(3) 0.90499(3) 0.51649(3) 0.01738(6) Uani 1 1 d . .
Cl3 Cl 0.20740(3) 0.25199(3) 1.23160(3) 0.01719(6) Uani 1 1 d . .
Cl4 Cl -0.10410(3) 0.07107(3) 1.04803(3) 0.01556(6) Uani 1 1 d . .
Cu1 Cu 0.37876(2) 0.84601(2) 0.50967(2) 0.01257(4) Uani 1 1 d . .
Cu2 Cu 0.10025(2) 0.15874(2) 1.02979(2) 0.01307(4) Uani 1 1 d . .
N1 N 0.40141(11) 0.85298(11) 0.67337(10) 0.0132(2) Uani 1 1 d . .
N8 N 0.53821(11) 0.82380(12) 0.52126(10) 0.0127(2) Uani 1 1 d . .
N16 N 0.22158(12) 0.61839(13) 0.40765(12) 0.0203(2) Uani 1 1 d . .
N19 N 0.26168(11) 0.24442(11) 0.99041(10) 0.0152(2) Uani 1 1 d . .
N26 N 0.00824(11) 0.08494(12) 0.84912(10) 0.0153(2) Uani 1 1 d . .
O1 O 0.95620(10) 0.63005(11) 0.44349(10) 0.0190(2) Uani 1 1 d . .
H1 H 1.0254 0.7040 0.4673 0.028 Uiso 1 1 calc R U
O2 O 0.27625(10) 0.72628(10) 1.05189(9) 0.0204(2) Uani 1 1 d . .
H2A H 0.3021 0.7650 1.1290 0.031 Uiso 1 1 calc R U
H8 H 0.5886(17) 0.8834(18) 0.5049(16) 0.016(4) Uiso 1 1 d . .
H26 H -0.0524(19) 0.003(2) 0.8232(17) 0.023(5) Uiso 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_3
N1 C2 C3 122.53(12) .
N1 C2 H2 118.7 .
C3 C2 H2 118.7 .
C2 C3 C4 118.86(12) .
C2 C3 H3 120.6 .
C4 C3 H3 120.6 .
C5 C4 C3 118.93(12) .
C5 C4 H4 120.5 .
C3 C4 H4 120.5 .
C4 C5 C6 118.96(12) .
C4 C5 H5 120.5 .
C6 C5 H5 120.5 .
N1 C6 C5 122.09(12) .
N1 C6 C7 116.38(11) .
C5 C6 C7 121.44(11) .
N8 C7 C6 111.04(10) .
N8 C7 H7A 109.4 .
C6 C7 H7A 109.4 .
N8 C7 H7B 109.4 .
C6 C7 H7B 109.4 .
H7A C7 H7B 108.0 .
N8 C9 C10 114.00(11) .
N8 C9 H9A 108.8 .
C10 C9 H9A 108.8 .
N8 C9 H9B 108.8 .
C10 C9 H9B 108.8 .
H9A C9 H9B 107.6 .
C15 C10 C11 118.17(12) .
C15 C10 C9 122.06(12) .
C11 C10 C9 119.77(12) .
C12 C11 C10 121.21(12) .
C12 C11 H11 119.4 .
C10 C11 H11 119.4 .
C11 C12 C13 119.68(12) .
C11 C12 H12 120.2 .
C13 C12 H12 120.2 .
O1 C13 C14 122.30(12) .
O1 C13 C12 117.72(12) .
C14 C13 C12 119.98(12) .
C13 C14 C15 119.77(12) .
C13 C14 H14 120.1 .
C15 C14 H14 120.1 .
C14 C15 C10 121.18(12) .
C14 C15 H15 119.4 .
C10 C15 H15 119.4 .
N16 C17 C18 179.01(15) .
C17 C18 H18A 109.5 .
C17 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C17 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
N19 C20 C21 122.16(13) .
N19 C20 H20 118.9 .
C21 C20 H20 118.9 .
C20 C21 C22 118.62(14) .
C20 C21 H21 120.7 .
C22 C21 H21 120.7 .
C23 C22 C21 119.30(14) .
C23 C22 H22 120.3 .
C21 C22 H22 120.3 .
C22 C23 C24 119.13(14) .
C22 C23 H23 120.4 .
C24 C23 H23 120.4 .
N19 C24 C23 121.64(13) .
N19 C24 C25 116.24(12) .
C23 C24 C25 122.08(13) .
N26 C25 C24 111.28(11) .
N26 C25 H25A 109.4 .
C24 C25 H25A 109.4 .
N26 C25 H25B 109.4 .
C24 C25 H25B 109.4 .
H25A C25 H25B 108.0 .
N26 C27 C28 113.40(11) .
N26 C27 H27A 108.9 .
C28 C27 H27A 108.9 .
N26 C27 H27B 108.9 .
C28 C27 H27B 108.9 .
H27A C27 H27B 107.7 .
C33 C28 C29 118.17(12) .
C33 C28 C27 120.65(12) .
C29 C28 C27 121.15(12) .
C30 C29 C28 121.53(12) .
C30 C29 H29 119.2 .
C28 C29 H29 119.2 .
C29 C30 C31 119.13(12) .
C29 C30 H30 120.4 .
C31 C30 H30 120.4 .
O2 C31 C32 117.53(12) .
O2 C31 C30 122.11(12) .
C32 C31 C30 120.35(13) .
C31 C32 C33 119.50(12) .
C31 C32 H32 120.2 .
C33 C32 H32 120.2 .
C28 C33 C32 121.30(12) .
C28 C33 H33 119.3 .
C32 C33 H33 119.3 .
Cu2 Cl4 Cu2 84.542(11) 2_557
N1 Cu1 N8 82.60(4) .
N1 Cu1 N16 90.95(5) .
N8 Cu1 N16 96.18(4) .
N1 Cu1 Cl2 95.76(3) .
N8 Cu1 Cl2 171.50(3) .
N16 Cu1 Cl2 92.18(3) .
N1 Cu1 Cl1 167.32(3) .
N8 Cu1 Cl1 86.94(3) .
N16 Cu1 Cl1 97.32(3) .
Cl2 Cu1 Cl1 93.526(13) .
N19 Cu2 N26 82.25(5) .
N19 Cu2 Cl3 95.98(3) .
N26 Cu2 Cl3 176.89(4) .
N19 Cu2 Cl4 167.96(3) .
N26 Cu2 Cl4 88.26(3) .
Cl3 Cu2 Cl4 93.148(13) .
N19 Cu2 Cl4 91.29(3) 2_557
N26 Cu2 Cl4 86.06(3) 2_557
Cl3 Cu2 Cl4 96.558(12) 2_557
Cl4 Cu2 Cl4 95.459(11) 2_557
C6 N1 C2 118.62(11) .
C6 N1 Cu1 114.24(8) .
C2 N1 Cu1 127.02(9) .
C7 N8 C9 113.03(10) .
C7 N8 Cu1 109.53(8) .
C9 N8 Cu1 114.73(8) .
C7 N8 H8 107.4(12) .
C9 N8 H8 110.4(11) .
Cu1 N8 H8 100.8(11) .
C17 N16 Cu1 163.95(11) .
C24 N19 C20 119.10(12) .
C24 N19 Cu2 114.06(9) .
C20 N19 Cu2 126.53(9) .
C25 N26 C27 114.14(11) .
C25 N26 Cu2 108.80(8) .
C27 N26 Cu2 113.25(8) .
C25 N26 H26 108.6(13) .
C27 N26 H26 107.4(12) .
Cu2 N26 H26 104.1(12) .
C13 O1 H1 109.5 .
C31 O2 H2A 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C2 N1 1.3484(16) .
C2 C3 1.3834(19) .
C2 H2 0.9500 .
C3 C4 1.3930(19) .
C3 H3 0.9500 .
C4 C5 1.3899(19) .
C4 H4 0.9500 .
C5 C6 1.3922(18) .
C5 H5 0.9500 .
C6 N1 1.3474(16) .
C6 C7 1.4988(18) .
C7 N8 1.4792(16) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C9 N8 1.4866(17) .
C9 C10 1.5177(18) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C15 1.3946(19) .
C10 C11 1.3995(18) .
C11 C12 1.3912(18) .
C11 H11 0.9500 .
C12 C13 1.3928(19) .
C12 H12 0.9500 .
C13 O1 1.3723(15) .
C13 C14 1.3913(19) .
C14 C15 1.3932(18) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C17 N16 1.1392(18) .
C17 C18 1.4549(19) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C20 N19 1.3484(18) .
C20 C21 1.383(2) .
C20 H20 0.9500 .
C21 C22 1.392(2) .
C21 H21 0.9500 .
C22 C23 1.380(2) .
C22 H22 0.9500 .
C23 C24 1.3910(19) .
C23 H23 0.9500 .
C24 N19 1.3449(17) .
C24 C25 1.505(2) .
C25 N26 1.4793(17) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C27 N26 1.4974(17) .
C27 C28 1.5068(19) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C33 1.3911(19) .
C28 C29 1.4010(18) .
C29 C30 1.3869(19) .
C29 H29 0.9500 .
C30 C31 1.3979(18) .
C30 H30 0.9500 .
C31 O2 1.3712(17) .
C31 C32 1.3913(18) .
C32 C33 1.392(2) .
C32 H32 0.9500 .
C33 H33 0.9500 .
Cl1 Cu1 2.3130(4) .
Cl2 Cu1 2.3130(3) .
Cl3 Cu2 2.2571(4) .
Cl4 Cu2 2.3024(4) .
Cl4 Cu2 2.6922(4) 2_557
Cu1 N1 2.0254(11) .
Cu1 N8 2.0463(11) .
Cu1 N16 2.3020(13) .
Cu2 N19 2.0101(12) .
Cu2 N26 2.0358(11) .
Cu2 Cl4 2.6922(4) 2_557
N8 H8 0.863(18) .
N26 H26 0.854(19) .
O1 H1 0.8400 .
O2 H2A 0.8400 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C2 H2 Cl2 0.95 2.77 3.3431(14) 120 .
C3 H3 Cl4 0.95 2.80 3.6274(14) 146 2_567
C7 H7B Cl3 0.99 2.79 3.7061(13) 153 2_667
C18 H18B Cl3 0.98 2.78 3.6015(15) 142 1_554
C20 H20 Cl3 0.95 2.71 3.2697(15) 118 .
O1 H1 Cl2 0.84 2.37 3.2099(11) 175 1_655
O2 H2A Cl1 0.84 2.31 3.1412(11) 170 1_556
N8 H8 Cl2 0.863(18) 2.825(18) 3.6810(12) 172.1(15) 2_676
N26 H26 Cl3 0.854(19) 2.672(19) 3.5147(12) 169.1(16) 2_557
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
N1 C2 C3 C4 0.0(2)
C2 C3 C4 C5 1.1(2)
C3 C4 C5 C6 -1.0(2)
C4 C5 C6 N1 -0.1(2)
C4 C5 C6 C7 176.40(13)
N1 C6 C7 N8 -23.73(16)
C5 C6 C7 N8 159.56(12)
N8 C9 C10 C15 -31.24(18)
N8 C9 C10 C11 148.82(12)
C15 C10 C11 C12 -0.2(2)
C9 C10 C11 C12 179.75(12)
C10 C11 C12 C13 0.9(2)
C11 C12 C13 O1 179.51(12)
C11 C12 C13 C14 -0.9(2)
O1 C13 C14 C15 179.76(12)
C12 C13 C14 C15 0.2(2)
C13 C14 C15 C10 0.5(2)
C11 C10 C15 C14 -0.5(2)
C9 C10 C15 C14 179.52(12)
N19 C20 C21 C22 -0.3(2)
C20 C21 C22 C23 1.4(2)
C21 C22 C23 C24 -0.6(2)
C22 C23 C24 N19 -1.3(2)
C22 C23 C24 C25 -179.20(13)
N19 C24 C25 N26 14.18(17)
C23 C24 C25 N26 -167.86(13)
N26 C27 C28 C33 105.20(14)
N26 C27 C28 C29 -77.02(15)
C33 C28 C29 C30 -0.3(2)
C27 C28 C29 C30 -178.11(12)
C28 C29 C30 C31 0.9(2)
C29 C30 C31 O2 177.50(12)
C29 C30 C31 C32 -1.4(2)
O2 C31 C32 C33 -177.76(12)
C30 C31 C32 C33 1.1(2)
C29 C28 C33 C32 0.0(2)
C27 C28 C33 C32 177.90(12)
C31 C32 C33 C28 -0.5(2)
C5 C6 N1 C2 1.16(19)
C7 C6 N1 C2 -175.53(12)
C5 C6 N1 Cu1 -175.07(10)
C7 C6 N1 Cu1 8.24(15)
C3 C2 N1 C6 -1.1(2)
C3 C2 N1 Cu1 174.61(10)
C6 C7 N8 C9 -102.46(13)
C6 C7 N8 Cu1 26.81(13)
C10 C9 N8 C7 -57.60(15)
C10 C9 N8 Cu1 175.85(9)
C23 C24 N19 C20 2.4(2)
C25 C24 N19 C20 -179.59(12)
C23 C24 N19 Cu2 -171.50(11)
C25 C24 N19 Cu2 6.47(15)
C21 C20 N19 C24 -1.6(2)
C21 C20 N19 Cu2 171.51(10)
C24 C25 N26 C27 100.60(13)
C24 C25 N26 Cu2 -26.95(13)
C28 C27 N26 C25 -69.46(14)
C28 C27 N26 Cu2 55.78(13)
