#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:54:37 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179603 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/67/4506787.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_4506787
loop_
_publ_author_name
'Zhu, Xian-Dong'
'Lin, Zu-Jin'
'Liu, Tian-Fu'
'Xu, Bo'
'Cao, Rong'
_publ_section_title
;
 Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible
 Bifunctional Macrocyclic Ligand
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4708
_journal_paper_doi               10.1021/cg300848f
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C54 H100 Cu3 Gd2 N12 O32'
_chemical_formula_weight         1934.58
_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                115.275(3)
_cell_angle_beta                 95.662(3)
_cell_angle_gamma                103.865(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8492(9)
_cell_length_b                   17.245(2)
_cell_length_c                   17.791(2)
_cell_measurement_reflns_used    4679
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      3.0124
_cell_volume                     2320.2(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0982
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18198
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    2.159
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8970
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             979
_exptl_crystal_size_max          0.3500
_exptl_crystal_size_mid          0.0500
_exptl_crystal_size_min          0.0300
_refine_diff_density_max         1.993
_refine_diff_density_min         -1.220
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         10529
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1088
_refine_ls_R_factor_gt           0.0801
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1026P)²+17.9329P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2069
_refine_ls_wR_factor_ref         0.2359
_reflns_number_gt                7664
_reflns_number_total             10529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300848f_si_002.cif
_cod_data_source_block           ZXD-Gd,Cu
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_sg_symbol_H-M      P-1
_cod_database_code               4506787
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
Gd1 Gd 0.81422(5) 0.78035(3) 0.62474(3) 0.03309(16) Uani 1 1 d .
Cu1 Cu 1.0000 0.5000 0.5000 0.0284(3) Uani 1 2 d S
Cu2 Cu 1.5000 1.0000 0.5000 0.0302(3) Uani 1 2 d S
Cu3 Cu 0.5000 1.0000 1.0000 0.0381(4) Uani 1 2 d S
O1 O 0.9146(7) 0.6300(4) 0.5403(4) 0.0327(13) Uani 1 1 d .
O2 O 0.8485(9) 0.7085(5) 0.4796(4) 0.0447(17) Uani 1 1 d .
O3 O 0.4007(7) 0.3510(4) 0.4216(4) 0.0386(15) Uani 1 1 d .
O4 O 0.4131(9) 0.3903(6) 0.3178(6) 0.062(2) Uani 1 1 d .
O5 O 1.1037(8) 0.8281(4) 0.6466(5) 0.0418(16) Uani 1 1 d .
O6 O 0.9854(8) 0.9038(5) 0.6015(5) 0.0447(17) Uani 1 1 d .
O7 O 1.3663(9) 1.1835(5) 0.4467(6) 0.058(2) Uani 1 1 d .
O8 O 1.4706(11) 1.1228(7) 0.5134(7) 0.078(3) Uani 1 1 d .
O9 O 0.8576(8) 0.9194(5) 0.7602(5) 0.0447(17) Uani 1 1 d .
O10 O 0.6221(9) 0.8171(5) 0.7163(5) 0.0516(19) Uani 1 1 d .
O11 O 0.7256(8) 1.1109(5) 1.0246(5) 0.0481(18) Uani 1 1 d .
O12 O 0.9802(9) 1.1645(6) 1.0952(6) 0.071(3) Uani 1 1 d .
N1 N 1.0348(9) 0.5286(5) 0.4018(5) 0.0334(16) Uani 1 1 d .
N2 N 0.7670(8) 0.4081(4) 0.4340(4) 0.0285(15) Uani 1 1 d .
N3 N 1.3463(12) 0.9474(7) 0.3883(7) 0.063(3) Uani 1 1 d .
N4 N 1.2719(10) 0.9697(5) 0.5505(6) 0.044(2) Uani 1 1 d .
N5 N 0.6590(9) 0.9721(6) 1.0687(5) 0.043(2) Uani 1 1 d .
N6 N 0.5369(10) 0.9093(6) 0.8777(5) 0.046(2) Uani 1 1 d .
C1 C 0.9025(10) 0.6462(6) 0.4783(6) 0.0327(19) Uani 1 1 d .
C2 C 0.9495(11) 0.5934(6) 0.3980(6) 0.037(2) Uani 1 1 d .
H2A H 1.0197 0.6363 0.3832 0.044 Uiso 1 1 calc R
H2B H 0.8520 0.5587 0.3512 0.044 Uiso 1 1 calc R
C3 C 0.9888(12) 0.4460(7) 0.3162(6) 0.041(2) Uani 1 1 d .
H3A H 1.0600 0.4098 0.3167 0.049 Uiso 1 1 calc R
H3B H 1.0089 0.4657 0.2723 0.049 Uiso 1 1 calc R
C4 C 0.8183(12) 0.3859(7) 0.2896(6) 0.043(2) Uani 1 1 d .
H4A H 0.8006 0.3372 0.2307 0.051 Uiso 1 1 calc R
H4B H 0.7474 0.4219 0.2878 0.051 Uiso 1 1 calc R
C5 C 0.7670(12) 0.3426(6) 0.3452(6) 0.040(2) Uani 1 1 d .
H5A H 0.6579 0.2992 0.3173 0.048 Uiso 1 1 calc R
H5B H 0.8395 0.3080 0.3488 0.048 Uiso 1 1 calc R
C6 C 0.6450(10) 0.4545(6) 0.4312(6) 0.035(2) Uani 1 1 d .
H6A H 0.6784 0.4920 0.4027 0.042 Uiso 1 1 calc R
H6B H 0.6451 0.4959 0.4905 0.042 Uiso 1 1 calc R
C7 C 0.4732(11) 0.3922(6) 0.3853(7) 0.039(2) Uani 1 1 d .
C8 C 1.2093(11) 0.5725(7) 0.4212(6) 0.038(2) Uani 1 1 d .
H8A H 1.2337 0.6030 0.3856 0.046 Uiso 1 1 calc R
H8B H 1.2650 0.5265 0.4078 0.046 Uiso 1 1 calc R
C9 C 1.2673(11) 0.6410(6) 0.5150(6) 0.036(2) Uani 1 1 d .
H9A H 1.3836 0.6720 0.5283 0.043 Uiso 1 1 calc R
H9B H 1.2114 0.6870 0.5288 0.043 Uiso 1 1 calc R
C10 C 1.1025(12) 0.8777(6) 0.6120(7) 0.042(2) Uani 1 1 d .
C11 C 1.2483(12) 0.8981(7) 0.5756(7) 0.044(2) Uani 1 1 d .
H11A H 1.3450 0.9133 0.6187 0.052 Uiso 1 1 calc R
H11B H 1.2427 0.8417 0.5249 0.052 Uiso 1 1 calc R
C12 C 1.1517(14) 0.9490(10) 0.4786(9) 0.066(4) Uani 1 1 d .
H12A H 1.1455 1.0058 0.4791 0.079 Uiso 1 1 calc R
H12B H 1.0464 0.9172 0.4829 0.079 Uiso 1 1 calc R
C13 C 1.1870(15) 0.8926(12) 0.3986(8) 0.082(5) Uani 1 1 d .
H13A H 1.0981 0.8747 0.3501 0.098 Uiso 1 1 calc R
H13B H 1.1992 0.8371 0.3988 0.098 Uiso 1 1 calc R
C14 C 1.3286(18) 1.0235(9) 0.3752(10) 0.073(4) Uani 1 1 d U
H14A H 1.2135 1.0122 0.3546 0.087 Uiso 1 1 calc R
H14B H 1.3826 1.0251 0.3294 0.087 Uiso 1 1 calc R
C15 C 1.3945(12) 1.1153(10) 0.4528(9) 0.062(4) Uani 1 1 d .
C16 C 1.609(2) 1.1199(10) 0.6824(10) 0.094(6) Uani 1 1 d .
H16A H 1.6131 1.1718 0.6712 0.113 Uiso 1 1 calc R
H16B H 1.6912 1.1423 0.7353 0.113 Uiso 1 1 calc R
C17 C 1.4414(18) 1.0866(11) 0.6988(10) 0.084(4) Uani 1 1 d U
H17A H 1.4306 1.1356 0.7513 0.100 Uiso 1 1 calc R
H17B H 1.4381 1.0348 0.7099 0.100 Uiso 1 1 calc R
C18 C 1.2863(14) 1.0560(7) 0.6224(9) 0.065(4) Uani 1 1 d .
H18A H 1.1881 1.0510 0.6446 0.077 Uiso 1 1 calc R
H18B H 1.2975 1.1026 0.6031 0.077 Uiso 1 1 calc R
C19 C 0.7244(11) 0.8894(7) 0.7730(6) 0.040(2) Uani 1 1 d .
C20 C 0.6895(12) 0.9455(7) 0.8580(7) 0.047(3) Uani 1 1 d .
H20A H 0.7781 0.9568 0.9038 0.056 Uiso 1 1 calc R
H20B H 0.6926 1.0047 0.8616 0.056 Uiso 1 1 calc R
C21 C 0.3974(12) 0.9032(7) 0.8162(6) 0.049(3) Uani 1 1 d .
H21A H 0.4180 0.8814 0.7581 0.059 Uiso 1 1 calc R
H21B H 0.2985 0.8599 0.8139 0.059 Uiso 1 1 calc R
C22 C 0.5248(13) 0.8210(7) 0.8765(7) 0.051(3) Uani 1 1 d .
H22A H 0.5329 0.7785 0.8193 0.062 Uiso 1 1 calc R
H22B H 0.4172 0.7967 0.8838 0.062 Uiso 1 1 calc R
C23 C 0.6460(14) 0.8218(7) 0.9420(8) 0.055(3) Uani 1 1 d .
H23A H 0.7539 0.8486 0.9364 0.066 Uiso 1 1 calc R
H23B H 0.6348 0.7585 0.9287 0.066 Uiso 1 1 calc R
C24 C 0.6366(14) 0.8727(8) 1.0344(7) 0.054(3) Uani 1 1 d .
H24A H 0.5309 0.8437 1.0405 0.065 Uiso 1 1 calc R
H24B H 0.7187 0.8655 1.0706 0.065 Uiso 1 1 calc R
C25 C 0.6225(14) 1.0066(8) 1.1545(7) 0.051(3) Uani 1 1 d .
H25A H 0.5231 0.9638 1.1526 0.061 Uiso 1 1 calc R
H25B H 0.7103 1.0098 1.1959 0.061 Uiso 1 1 calc R
C26 C 0.8271(11) 1.0234(7) 1.0776(7) 0.048(3) Uani 1 1 d .
H26A H 0.8741 0.9826 1.0355 0.058 Uiso 1 1 calc R
H26B H 0.8898 1.0425 1.1352 0.058 Uiso 1 1 calc R
C27 C 0.8432(13) 1.1052(8) 1.0648(7) 0.053(3) Uani 1 1 d .
OW1 O 0.8750(8) 0.7352(5) 0.7322(4) 0.0420(15) Uani 1 1 d .
OW2 O 1.000(2) 1.1072(9) 0.8153(12) 0.165(7) Uani 1 1 d .
OW3 O 0.7605(18) 1.1747(10) 0.8983(9) 0.126(5) Uani 1 1 d .
OW4 O 1.032(5) 1.3241(16) 1.0906(16) 0.148(13) Uani 0.50 1 d P
OW5 O 1.235(4) 1.240(2) 0.815(2) 0.156(12) Uani 0.50 1 d P
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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
O7 Gd1 O3 82.4(3) 2_776 2_666
O7 Gd1 OW1 148.0(3) 2_776 .
O3 Gd1 OW1 79.0(2) 2_666 .
O7 Gd1 O2 78.1(3) 2_776 .
O3 Gd1 O2 84.3(2) 2_666 .
OW1 Gd1 O2 125.0(2) . .
O7 Gd1 O5 127.6(3) 2_776 .
O3 Gd1 O5 139.9(2) 2_666 .
OW1 Gd1 O5 82.1(2) . .
O2 Gd1 O5 78.2(2) . .
O7 Gd1 O10 74.8(3) 2_776 .
O3 Gd1 O10 72.0(2) 2_666 .
OW1 Gd1 O10 74.8(2) . .
O2 Gd1 O10 145.9(3) . .
O5 Gd1 O10 135.3(2) . .
O7 Gd1 O9 92.3(3) 2_776 .
O3 Gd1 O9 123.4(2) 2_666 .
OW1 Gd1 O9 77.0(2) . .
O2 Gd1 O9 149.6(2) . .
O5 Gd1 O9 85.4(2) . .
O10 Gd1 O9 52.5(2) . .
O7 Gd1 O6 75.9(2) 2_776 .
O3 Gd1 O6 151.7(3) 2_666 .
OW1 Gd1 O6 128.3(2) . .
O2 Gd1 O6 73.7(2) . .
O5 Gd1 O6 52.7(2) . .
O10 Gd1 O6 118.2(2) . .
O9 Gd1 O6 75.9(2) . .
O7 Gd1 O1 121.7(3) 2_776 .
O3 Gd1 O1 70.80(19) 2_666 .
OW1 Gd1 O1 75.8(2) . .
O2 Gd1 O1 49.2(2) . .
O5 Gd1 O1 70.4(2) . .
O10 Gd1 O1 136.0(2) . .
O9 Gd1 O1 145.6(2) . .
O6 Gd1 O1 105.66(19) . .
N1 Cu1 N1 180.000(3) . 2_766
N1 Cu1 N2 86.6(3) . 2_766
N1 Cu1 N2 93.4(3) 2_766 2_766
N1 Cu1 N2 93.4(3) . .
N1 Cu1 N2 86.6(3) 2_766 .
N2 Cu1 N2 180.000(1) 2_766 .
N1 Cu1 O1 100.9(2) . 2_766
N1 Cu1 O1 79.1(2) 2_766 2_766
N2 Cu1 O1 94.0(2) 2_766 2_766
N2 Cu1 O1 86.0(2) . 2_766
N1 Cu1 O1 79.1(2) . .
N1 Cu1 O1 100.9(2) 2_766 .
N2 Cu1 O1 86.0(2) 2_766 .
N2 Cu1 O1 94.0(2) . .
O1 Cu1 O1 180.000(2) 2_766 .
N3 Cu2 N3 180.000(3) 2_876 .
N3 Cu2 O8 83.7(4) 2_876 2_876
N3 Cu2 O8 96.3(4) . 2_876
N3 Cu2 O8 96.3(4) 2_876 .
N3 Cu2 O8 83.7(4) . .
O8 Cu2 O8 180.0(7) 2_876 .
N3 Cu2 N4 84.4(4) 2_876 2_876
N3 Cu2 N4 95.6(4) . 2_876
O8 Cu2 N4 90.8(3) 2_876 2_876
O8 Cu2 N4 89.2(3) . 2_876
N3 Cu2 N4 95.6(4) 2_876 .
N3 Cu2 N4 84.4(4) . .
O8 Cu2 N4 89.2(3) 2_876 .
O8 Cu2 N4 90.8(3) . .
N4 Cu2 N4 180.000(1) 2_876 .
N5 Cu3 N5 180.000(5) . 2_677
N5 Cu3 N6 93.2(3) . .
N5 Cu3 N6 86.8(3) 2_677 .
N5 Cu3 N6 86.8(3) . 2_677
N5 Cu3 N6 93.2(3) 2_677 2_677
N6 Cu3 N6 180.000(5) . 2_677
N5 Cu3 O11 80.1(3) . .
N5 Cu3 O11 99.9(3) 2_677 .
N6 Cu3 O11 92.4(3) . .
N6 Cu3 O11 87.6(3) 2_677 .
N5 Cu3 O11 99.9(3) . 2_677
N5 Cu3 O11 80.1(3) 2_677 2_677
N6 Cu3 O11 87.6(3) . 2_677
N6 Cu3 O11 92.4(3) 2_677 2_677
O11 Cu3 O11 180.000(1) . 2_677
C1 O1 Cu1 108.0(5) . .
C1 O1 Gd1 86.0(5) . .
Cu1 O1 Gd1 166.0(3) . .
C1 O2 Gd1 102.8(6) . .
C7 O3 Gd1 134.6(6) . 2_666
C10 O5 Gd1 92.7(6) . .
C10 O6 Gd1 88.7(5) . .
C15 O7 Gd1 142.2(8) . 2_776
C15 O8 Cu2 113.1(11) . .
C19 O9 Gd1 92.8(5) . .
C19 O10 Gd1 92.7(6) . .
C27 O11 Cu3 111.1(8) . .
C8 N1 C3 107.9(7) . .
C8 N1 C2 109.0(7) . .
C3 N1 C2 109.6(7) . .
C8 N1 Cu1 104.5(6) . .
C3 N1 Cu1 113.4(6) . .
C2 N1 Cu1 112.2(5) . .
C9 N2 C5 109.3(7) 2_766 .
C9 N2 C6 110.7(7) 2_766 .
C5 N2 C6 110.1(7) . .
C9 N2 Cu1 102.9(5) 2_766 .
C5 N2 Cu1 110.8(5) . .
C6 N2 Cu1 112.8(5) . .
C16 N3 C14 114.1(12) 2_876 .
C16 N3 C13 104.7(12) 2_876 .
C14 N3 C13 112.4(10) . .
C16 N3 Cu2 113.5(8) 2_876 .
C14 N3 Cu2 106.7(9) . .
C13 N3 Cu2 105.0(7) . .
C12 N4 C18 111.2(9) . .
C12 N4 C11 113.2(9) . .
C18 N4 C11 111.2(9) . .
C12 N4 Cu2 99.9(6) . .
C18 N4 Cu2 103.8(6) . .
C11 N4 Cu2 116.7(6) . .
C25 N5 C26 108.3(8) . .
C25 N5 C24 108.4(9) . .
C26 N5 C24 111.3(8) . .
C25 N5 Cu3 103.7(6) . .
C26 N5 Cu3 111.2(7) . .
C24 N5 Cu3 113.5(6) . .
C20 N6 C22 111.2(8) . .
C20 N6 C21 109.5(9) . .
C22 N6 C21 112.4(8) . .
C20 N6 Cu3 114.2(6) . .
C22 N6 Cu3 108.3(7) . .
C21 N6 Cu3 101.0(6) . .
O1 C1 O2 121.8(8) . .
O1 C1 C2 122.4(8) . .
O2 C1 C2 115.8(8) . .
C1 C2 N1 115.1(8) . .
C1 C2 H2A 108.5 . .
N1 C2 H2A 108.5 . .
C1 C2 H2B 108.5 . .
N1 C2 H2B 108.5 . .
H2A C2 H2B 107.5 . .
N1 C3 C4 115.9(8) . .
N1 C3 H3A 108.3 . .
C4 C3 H3A 108.3 . .
N1 C3 H3B 108.3 . .
C4 C3 H3B 108.3 . .
H3A C3 H3B 107.4 . .
C3 C4 C5 116.6(8) . .
C3 C4 H4A 108.2 . .
C5 C4 H4A 108.2 . .
C3 C4 H4B 108.2 . .
C5 C4 H4B 108.2 . .
H4A C4 H4B 107.3 . .
N2 C5 C4 114.4(7) . .
N2 C5 H5A 108.7 . .
C4 C5 H5A 108.7 . .
N2 C5 H5B 108.7 . .
C4 C5 H5B 108.7 . .
H5A C5 H5B 107.6 . .
N2 C6 C7 115.7(7) . .
N2 C6 H6A 108.4 . .
C7 C6 H6A 108.4 . .
N2 C6 H6B 108.4 . .
C7 C6 H6B 108.4 . .
H6A C6 H6B 107.4 . .
O4 C7 O3 125.1(9) . .
O4 C7 C6 117.7(9) . .
O3 C7 C6 117.1(9) . .
N1 C8 C9 109.5(7) . .
N1 C8 H8A 109.8 . .
C9 C8 H8A 109.8 . .
N1 C8 H8B 109.8 . .
C9 C8 H8B 109.8 . .
H8A C8 H8B 108.2 . .
N2 C9 C8 108.0(7) 2_766 .
N2 C9 H9A 110.1 2_766 .
C8 C9 H9A 110.1 . .
N2 C9 H9B 110.1 2_766 .
C8 C9 H9B 110.1 . .
H9A C9 H9B 108.4 . .
O5 C10 O6 122.8(9) . .
O5 C10 C11 115.7(9) . .
O6 C10 C11 121.3(9) . .
N4 C11 C10 118.7(8) . .
N4 C11 H11A 107.6 . .
C10 C11 H11A 107.6 . .
N4 C11 H11B 107.6 . .
C10 C11 H11B 107.6 . .
H11A C11 H11B 107.1 . .
N4 C12 C13 111.2(9) . .
N4 C12 H12A 109.4 . .
C13 C12 H12A 109.4 . .
N4 C12 H12B 109.4 . .
C13 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C12 C13 N3 108.9(12) . .
C12 C13 H13A 109.9 . .
N3 C13 H13A 109.9 . .
C12 C13 H13B 109.9 . .
N3 C13 H13B 109.9 . .
H13A C13 H13B 108.3 . .
N3 C14 C15 115.6(12) . .
N3 C14 H14A 108.4 . .
C15 C14 H14A 108.4 . .
N3 C14 H14B 108.4 . .
C15 C14 H14B 108.4 . .
H14A C14 H14B 107.4 . .
O8 C15 O7 122.9(15) . .
O8 C15 C14 119.4(14) . .
O7 C15 C14 117.7(11) . .
N3 C16 C17 115.9(12) 2_876 .
N3 C16 H16A 108.3 2_876 .
C17 C16 H16A 108.3 . .
N3 C16 H16B 108.3 2_876 .
C17 C16 H16B 108.3 . .
H16A C16 H16B 107.4 . .
C16 C17 C18 116.6(12) . .
C16 C17 H17A 108.1 . .
C18 C17 H17A 108.1 . .
C16 C17 H17B 108.1 . .
C18 C17 H17B 108.1 . .
H17A C17 H17B 107.3 . .
N4 C18 C17 110.9(9) . .
N4 C18 H18A 109.5 . .
C17 C18 H18A 109.5 . .
N4 C18 H18B 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 108.0 . .
O9 C19 O10 121.2(8) . .
O9 C19 C20 117.1(8) . .
O10 C19 C20 121.7(8) . .
N6 C20 C19 118.6(8) . .
N6 C20 H20A 107.7 . .
C19 C20 H20A 107.7 . .
N6 C20 H20B 107.7 . .
C19 C20 H20B 107.7 . .
H20A C20 H20B 107.1 . .
C25 C21 N6 109.1(8) 2_677 .
C25 C21 H21A 109.9 2_677 .
N6 C21 H21A 109.9 . .
C25 C21 H21B 109.9 2_677 .
N6 C21 H21B 109.9 . .
H21A C21 H21B 108.3 . .
N6 C22 C23 116.7(9) . .
N6 C22 H22A 108.1 . .
C23 C22 H22A 108.1 . .
N6 C22 H22B 108.1 . .
C23 C22 H22B 108.1 . .
H22A C22 H22B 107.3 . .
C22 C23 C24 116.1(9) . .
C22 C23 H23A 108.3 . .
C24 C23 H23A 108.3 . .
C22 C23 H23B 108.3 . .
C24 C23 H23B 108.3 . .
H23A C23 H23B 107.4 . .
N5 C24 C23 116.6(10) . .
N5 C24 H24A 108.1 . .
C23 C24 H24A 108.1 . .
N5 C24 H24B 108.1 . .
C23 C24 H24B 108.1 . .
H24A C24 H24B 107.3 . .
C21 C25 N5 111.9(10) 2_677 .
C21 C25 H25A 109.2 2_677 .
N5 C25 H25A 109.2 . .
C21 C25 H25B 109.2 2_677 .
N5 C25 H25B 109.2 . .
H25A C25 H25B 107.9 . .
N5 C26 C27 114.0(8) . .
N5 C26 H26A 108.7 . .
C27 C26 H26A 108.7 . .
N5 C26 H26B 108.7 . .
C27 C26 H26B 108.7 . .
H26A C26 H26B 107.6 . .
O11 C27 O12 124.1(13) . .
O11 C27 C26 119.7(10) . .
O12 C27 C26 116.2(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O7 2.303(7) 2_776
Gd1 O3 2.336(6) 2_666
Gd1 OW1 2.413(7) .
Gd1 O2 2.428(7) .
Gd1 O5 2.431(7) .
Gd1 O10 2.475(7) .
Gd1 O9 2.479(7) .
Gd1 O6 2.516(7) .
Gd1 O1 2.794(6) .
Cu1 N1 2.040(8) .
Cu1 N1 2.040(8) 2_766
Cu1 N2 2.124(7) 2_766
Cu1 N2 2.124(7) .
Cu1 O1 2.379(6) 2_766
Cu1 O1 2.379(6) .
Cu2 N3 1.990(11) 2_876
Cu2 N3 1.990(11) .
Cu2 O8 2.111(10) 2_876
Cu2 O8 2.111(10) .
Cu2 N4 2.325(8) 2_876
Cu2 N4 2.325(8) .
Cu3 N5 2.047(9) .
Cu3 N5 2.047(9) 2_677
Cu3 N6 2.183(8) .
Cu3 N6 2.183(8) 2_677
Cu3 O11 2.263(7) .
Cu3 O11 2.263(7) 2_677
O1 C1 1.249(11) .
O2 C1 1.269(10) .
O3 C7 1.261(12) .
O3 Gd1 2.336(6) 2_666
O4 C7 1.248(12) .
O5 C10 1.249(12) .
O6 C10 1.253(12) .
O7 C15 1.305(15) .
O7 Gd1 2.303(7) 2_776
O8 C15 1.153(14) .
O9 C19 1.254(11) .
O10 C19 1.264(11) .
O11 C27 1.251(13) .
O12 C27 1.270(13) .
N1 C8 1.479(11) .
N1 C3 1.504(12) .
N1 C2 1.510(11) .
N2 C9 1.491(11) 2_766
N2 C5 1.499(11) .
N2 C6 1.499(11) .
N3 C16 1.466(17) 2_876
N3 C14 1.468(16) .
N3 C13 1.574(18) .
N4 C12 1.434(16) .
N4 C18 1.456(14) .
N4 C11 1.461(12) .
N5 C25 1.485(13) .
N5 C26 1.491(13) .
N5 C24 1.506(13) .
N6 C20 1.486(13) .
N6 C22 1.491(14) .
N6 C21 1.518(13) .
C1 C2 1.494(12) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.505(14) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.517(14) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.535(12) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C8 C9 1.516(13) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 N2 1.491(11) 2_766
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.533(13) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.456(18) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.51(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C16 N3 1.466(17) 2_876
C16 C17 1.56(2) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.64(2) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.519(13) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C25 1.477(15) 2_677
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.497(16) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.520(15) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C21 1.477(15) 2_677
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.500(17) .
C26 H26A 0.9900 .
C26 H26B 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_4
N1 Cu1 O1 C1 11.5(6) . .
N1 Cu1 O1 C1 -168.5(6) 2_766 .
N2 Cu1 O1 C1 98.8(6) 2_766 .
N2 Cu1 O1 C1 -81.2(6) . .
O1 Cu1 O1 C1 -99(100) 2_766 .
N1 Cu1 O1 Gd1 -169.9(11) . .
N1 Cu1 O1 Gd1 10.1(11) 2_766 .
N2 Cu1 O1 Gd1 -82.7(11) 2_766 .
N2 Cu1 O1 Gd1 97.3(11) . .
O1 Cu1 O1 Gd1 79(100) 2_766 .
O7 Gd1 O1 C1 34.2(6) 2_776 .
O3 Gd1 O1 C1 101.9(5) 2_666 .
OW1 Gd1 O1 C1 -175.1(5) . .
O2 Gd1 O1 C1 2.6(5) . .
O5 Gd1 O1 C1 -88.5(5) . .
O10 Gd1 O1 C1 135.6(5) . .
O9 Gd1 O1 C1 -136.5(5) . .
O6 Gd1 O1 C1 -48.7(5) . .
O7 Gd1 O1 Cu1 -144.4(10) 2_776 .
O3 Gd1 O1 Cu1 -76.7(11) 2_666 .
OW1 Gd1 O1 Cu1 6.3(11) . .
O2 Gd1 O1 Cu1 -176.0(12) . .
O5 Gd1 O1 Cu1 92.9(11) . .
O10 Gd1 O1 Cu1 -43.0(12) . .
O9 Gd1 O1 Cu1 44.9(12) . .
O6 Gd1 O1 Cu1 132.7(11) . .
O7 Gd1 O2 C1 -155.5(6) 2_776 .
O3 Gd1 O2 C1 -72.1(6) 2_666 .
OW1 Gd1 O2 C1 0.1(7) . .
O5 Gd1 O2 C1 71.6(6) . .
O10 Gd1 O2 C1 -117.5(6) . .
O9 Gd1 O2 C1 130.5(6) . .
O6 Gd1 O2 C1 125.9(6) . .
O1 Gd1 O2 C1 -2.6(5) . .
O7 Gd1 O5 C10 4.2(7) 2_776 .
O3 Gd1 O5 C10 135.0(6) 2_666 .
OW1 Gd1 O5 C10 -162.7(6) . .
O2 Gd1 O5 C10 69.0(6) . .
O10 Gd1 O5 C10 -103.8(6) . .
O9 Gd1 O5 C10 -85.3(6) . .
O6 Gd1 O5 C10 -9.5(6) . .
O1 Gd1 O5 C10 119.6(6) . .
O7 Gd1 O6 C10 -159.4(7) 2_776 .
O3 Gd1 O6 C10 -118.4(7) 2_666 .
OW1 Gd1 O6 C10 44.1(7) . .
O2 Gd1 O6 C10 -77.9(6) . .
O5 Gd1 O6 C10 9.4(6) . .
O10 Gd1 O6 C10 136.7(6) . .
O9 Gd1 O6 C10 104.5(6) . .
O1 Gd1 O6 C10 -40.0(6) . .
N3 Cu2 O8 C15 173.8(8) 2_876 .
N3 Cu2 O8 C15 -6.2(8) . .
O8 Cu2 O8 C15 -68(100) 2_876 .
N4 Cu2 O8 C15 89.5(8) 2_876 .
N4 Cu2 O8 C15 -90.5(8) . .
O7 Gd1 O9 C19 73.9(6) 2_776 .
O3 Gd1 O9 C19 -8.5(7) 2_666 .
OW1 Gd1 O9 C19 -75.7(6) . .
O2 Gd1 O9 C19 144.2(6) . .
O5 Gd1 O9 C19 -158.6(6) . .
O10 Gd1 O9 C19 5.0(6) . .
O6 Gd1 O9 C19 148.7(6) . .
O1 Gd1 O9 C19 -114.0(6) . .
O7 Gd1 O10 C19 -110.1(7) 2_776 .
O3 Gd1 O10 C19 163.1(7) 2_666 .
OW1 Gd1 O10 C19 80.1(7) . .
O2 Gd1 O10 C19 -148.7(6) . .
O5 Gd1 O10 C19 18.5(8) . .
O9 Gd1 O10 C19 -5.0(6) . .
O6 Gd1 O10 C19 -45.6(7) . .
O1 Gd1 O10 C19 129.7(6) . .
N5 Cu3 O11 C27 2.0(7) . .
N5 Cu3 O11 C27 -178.0(7) 2_677 .
N6 Cu3 O11 C27 -90.9(7) . .
N6 Cu3 O11 C27 89.1(7) 2_677 .
O11 Cu3 O11 C27 152(100) 2_677 .
N1 Cu1 N1 C8 -153(100) 2_766 .
N2 Cu1 N1 C8 15.9(5) 2_766 .
N2 Cu1 N1 C8 -164.1(5) . .
O1 Cu1 N1 C8 -77.5(5) 2_766 .
O1 Cu1 N1 C8 102.5(5) . .
N1 Cu1 N1 C3 -36(100) 2_766 .
N2 Cu1 N1 C3 133.2(6) 2_766 .
N2 Cu1 N1 C3 -46.8(6) . .
O1 Cu1 N1 C3 39.8(6) 2_766 .
O1 Cu1 N1 C3 -140.2(6) . .
N1 Cu1 N1 C2 89(100) 2_766 .
N2 Cu1 N1 C2 -102.0(6) 2_766 .
N2 Cu1 N1 C2 78.0(6) . .
O1 Cu1 N1 C2 164.6(6) 2_766 .
O1 Cu1 N1 C2 -15.4(6) . .
N1 Cu1 N2 C9 165.4(5) . 2_766
N1 Cu1 N2 C9 -14.6(5) 2_766 2_766
N2 Cu1 N2 C9 -93(100) 2_766 2_766
O1 Cu1 N2 C9 64.7(5) 2_766 2_766
O1 Cu1 N2 C9 -115.3(5) . 2_766
N1 Cu1 N2 C5 48.6(6) . .
N1 Cu1 N2 C5 -131.4(6) 2_766 .
N2 Cu1 N2 C5 150(100) 2_766 .
O1 Cu1 N2 C5 -52.1(6) 2_766 .
O1 Cu1 N2 C5 127.9(6) . .
N1 Cu1 N2 C6 -75.3(6) . .
N1 Cu1 N2 C6 104.7(6) 2_766 .
N2 Cu1 N2 C6 26(100) 2_766 .
O1 Cu1 N2 C6 -176.0(6) 2_766 .
O1 Cu1 N2 C6 4.0(6) . .
N3 Cu2 N3 C16 112(100) 2_876 2_876
O8 Cu2 N3 C16 -43.3(11) 2_876 2_876
O8 Cu2 N3 C16 136.7(11) . 2_876
N4 Cu2 N3 C16 48.1(11) 2_876 2_876
N4 Cu2 N3 C16 -131.9(11) . 2_876
N3 Cu2 N3 C14 -14(100) 2_876 .
O8 Cu2 N3 C14 -169.9(8) 2_876 .
O8 Cu2 N3 C14 10.1(8) . .
N4 Cu2 N3 C14 -78.5(8) 2_876 .
N4 Cu2 N3 C14 101.5(8) . .
N3 Cu2 N3 C13 -134(100) 2_876 .
O8 Cu2 N3 C13 70.5(8) 2_876 .
O8 Cu2 N3 C13 -109.5(8) . .
N4 Cu2 N3 C13 161.9(8) 2_876 .
N4 Cu2 N3 C13 -18.1(8) . .
N3 Cu2 N4 C12 168.4(7) 2_876 .
N3 Cu2 N4 C12 -11.6(7) . .
O8 Cu2 N4 C12 -108.1(8) 2_876 .
O8 Cu2 N4 C12 71.9(8) . .
N4 Cu2 N4 C12 -67(100) 2_876 .
N3 Cu2 N4 C18 53.4(8) 2_876 .
N3 Cu2 N4 C18 -126.6(8) . .
O8 Cu2 N4 C18 137.0(8) 2_876 .
O8 Cu2 N4 C18 -43.0(8) . .
N4 Cu2 N4 C18 179(100) 2_876 .
N3 Cu2 N4 C11 -69.3(8) 2_876 .
N3 Cu2 N4 C11 110.8(8) . .
O8 Cu2 N4 C11 14.3(8) 2_876 .
O8 Cu2 N4 C11 -165.7(8) . .
N4 Cu2 N4 C11 56(100) 2_876 .
N5 Cu3 N5 C25 -129(100) 2_677 .
N6 Cu3 N5 C25 -164.4(7) . .
N6 Cu3 N5 C25 15.6(7) 2_677 .
O11 Cu3 N5 C25 103.7(7) . .
O11 Cu3 N5 C25 -76.3(7) 2_677 .
N5 Cu3 N5 C26 114(100) 2_677 .
N6 Cu3 N5 C26 79.5(6) . .
N6 Cu3 N5 C26 -100.5(6) 2_677 .
O11 Cu3 N5 C26 -12.4(6) . .
O11 Cu3 N5 C26 167.6(6) 2_677 .
N5 Cu3 N5 C24 -12(100) 2_677 .
N6 Cu3 N5 C24 -47.0(7) . .
N6 Cu3 N5 C24 133.0(7) 2_677 .
O11 Cu3 N5 C24 -138.9(7) . .
O11 Cu3 N5 C24 41.1(7) 2_677 .
N5 Cu3 N6 C20 -75.9(8) . .
N5 Cu3 N6 C20 104.1(8) 2_677 .
N6 Cu3 N6 C20 114(100) 2_677 .
O11 Cu3 N6 C20 4.3(8) . .
O11 Cu3 N6 C20 -175.7(8) 2_677 .
N5 Cu3 N6 C22 48.6(7) . .
N5 Cu3 N6 C22 -131.4(7) 2_677 .
N6 Cu3 N6 C22 -121(100) 2_677 .
O11 Cu3 N6 C22 128.7(6) . .
O11 Cu3 N6 C22 -51.3(6) 2_677 .
N5 Cu3 N6 C21 166.8(7) . .
N5 Cu3 N6 C21 -13.2(7) 2_677 .
N6 Cu3 N6 C21 -3(100) 2_677 .
O11 Cu3 N6 C21 -113.1(7) . .
O11 Cu3 N6 C21 66.9(7) 2_677 .
Cu1 O1 C1 O2 175.2(7) . .
Gd1 O1 C1 O2 -4.5(8) . .
Cu1 O1 C1 C2 -4.5(10) . .
Gd1 O1 C1 C2 175.9(8) . .
Gd1 O2 C1 O1 5.2(10) . .
Gd1 O2 C1 C2 -175.1(6) . .
O1 C1 C2 N1 -8.6(13) . .
O2 C1 C2 N1 171.7(8) . .
C8 N1 C2 C1 -96.5(9) . .
C3 N1 C2 C1 145.6(8) . .
Cu1 N1 C2 C1 18.7(10) . .
C8 N1 C3 C4 173.2(8) . .
C2 N1 C3 C4 -68.3(10) . .
Cu1 N1 C3 C4 57.9(10) . .
N1 C3 C4 C5 -62.6(12) . .
C9 N2 C5 C4 -173.7(8) 2_766 .
C6 N2 C5 C4 64.6(10) . .
Cu1 N2 C5 C4 -60.9(9) . .
C3 C4 C5 N2 65.4(11) . .
C9 N2 C6 C7 -64.6(10) 2_766 .
C5 N2 C6 C7 56.4(10) . .
Cu1 N2 C6 C7 -179.3(7) . .
Gd1 O3 C7 O4 27.4(14) 2_666 .
Gd1 O3 C7 C6 -157.0(6) 2_666 .
N2 C6 C7 O4 -113.8(10) . .
N2 C6 C7 O3 70.2(11) . .
C3 N1 C8 C9 -165.6(8) . .
C2 N1 C8 C9 75.5(9) . .
Cu1 N1 C8 C9 -44.6(8) . .
N1 C8 C9 N2 61.2(9) . 2_766
Gd1 O5 C10 O6 18.2(11) . .
Gd1 O5 C10 C11 -156.5(8) . .
Gd1 O6 C10 O5 -17.6(10) . .
Gd1 O6 C10 C11 156.9(9) . .
C12 N4 C11 C10 -66.8(13) . .
C18 N4 C11 C10 59.2(13) . .
Cu2 N4 C11 C10 178.0(7) . .
O5 C10 C11 N4 -167.4(9) . .
O6 C10 C11 N4 17.7(15) . .
C18 N4 C12 C13 151.5(11) . .
C11 N4 C12 C13 -82.5(13) . .
Cu2 N4 C12 C13 42.4(12) . .
N4 C12 C13 N3 -64.4(14) . .
C16 N3 C13 C12 167.8(11) 2_876 .
C14 N3 C13 C12 -67.8(14) . .
Cu2 N3 C13 C12 47.9(12) . .
C16 N3 C14 C15 -139.5(12) 2_876 .
C13 N3 C14 C15 101.4(13) . .
Cu2 N3 C14 C15 -13.3(13) . .
Cu2 O8 C15 O7 -177.7(8) . .
Cu2 O8 C15 C14 -0.1(13) . .
Gd1 O7 C15 O8 -155.1(9) 2_776 .
Gd1 O7 C15 C14 27.3(17) 2_776 .
N3 C14 C15 O8 9.5(17) . .
N3 C14 C15 O7 -172.8(10) . .
N3 C16 C17 C18 -64.0(17) 2_876 .
C12 N4 C18 C17 -171.3(10) . .
C11 N4 C18 C17 61.6(11) . .
Cu2 N4 C18 C17 -64.7(10) . .
C16 C17 C18 N4 73.1(15) . .
Gd1 O9 C19 O10 -9.2(11) . .
Gd1 O9 C19 C20 173.1(8) . .
Gd1 O10 C19 O9 9.2(11) . .
Gd1 O10 C19 C20 -173.2(9) . .
C22 N6 C20 C19 59.4(13) . .
C21 N6 C20 C19 -65.4(12) . .
Cu3 N6 C20 C19 -177.7(8) . .
O9 C19 C20 N6 -176.3(9) . .
O10 C19 C20 N6 6.0(16) . .
C20 N6 C21 C25 -80.3(10) . 2_677
C22 N6 C21 C25 155.7(9) . 2_677
Cu3 N6 C21 C25 40.5(10) . 2_677
C20 N6 C22 C23 63.8(12) . .
C21 N6 C22 C23 -173.1(9) . .
Cu3 N6 C22 C23 -62.4(10) . .
N6 C22 C23 C24 66.5(14) . .
C25 N5 C24 C23 171.9(9) . .
C26 N5 C24 C23 -69.2(12) . .
Cu3 N5 C24 C23 57.2(11) . .
C22 C23 C24 N5 -60.9(14) . .
C26 N5 C25 C21 73.2(11) . 2_677
C24 N5 C25 C21 -165.9(9) . 2_677
Cu3 N5 C25 C21 -45.0(10) . 2_677
C25 N5 C26 C27 -92.2(11) . .
C24 N5 C26 C27 148.8(9) . .
Cu3 N5 C26 C27 21.1(10) . .
Cu3 O11 C27 O12 -171.7(9) . .
Cu3 O11 C27 C26 9.7(11) . .
N5 C26 C27 O11 -21.1(13) . .
N5 C26 C27 O12 160.2(9) . .
