#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/62/4506263.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_4506263
loop_
_publ_author_name
'Li, Xinfa'
'Huang, Yuanbiao'
'Cao, Rong'
_publ_section_title
;
 Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination
 Polymers With or Without Halides
;
_journal_issue                   7
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3549
_journal_paper_doi               10.1021/cg300362d
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C33 H23 Cl Cu2 N4 Nd2 O16, H4 O2'
_chemical_formula_sum            'C33 H27 Cl Cu2 N4 Nd2 O18'
_chemical_formula_weight         1218.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 108.327(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.1392(3)
_cell_length_b                   31.4410(6)
_cell_length_c                   16.7589(4)
_cell_measurement_reflns_used    5865
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1535
_cell_measurement_theta_min      2.4004
_cell_volume                     7572.5(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_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(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω 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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16148
_diffrn_reflns_theta_full        26.65
_diffrn_reflns_theta_max         26.65
_diffrn_reflns_theta_min         2.41
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_exptl_absorpt_coefficient_mu    3.961
_exptl_absorpt_correction_T_max  0.4649
_exptl_absorpt_correction_T_min  0.2422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49. 
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow to green'
_exptl_crystal_density_diffrn    2.138
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block-shaped
_exptl_crystal_F_000             4736
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.696
_refine_diff_density_min         -1.207
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7916
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0310
_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)+(0.0530P)²+40.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.1035
_reflns_number_gt                6621
_reflns_number_total             7916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300362d_si_002.cif
_cod_data_source_block           I-D
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4506263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Nd1 Nd 0.146854(15) 0.266841(7) 0.143098(14) 0.01087(8) Uani 1 1 d .
Nd2 Nd 0.358671(15) 0.238823(7) 0.364357(14) 0.01060(8) Uani 1 1 d .
Cu1 Cu 0.34913(7) 0.50458(2) 0.47478(7) 0.0534(3) Uani 1 1 d .
Cu2 Cu 0.32947(8) 0.01524(2) -0.01503(5) 0.0557(3) Uani 1 1 d .
Cl1 Cl 0.17978(16) 0.00854(6) -0.11884(13) 0.0632(6) Uani 1 1 d .
O1 O 0.3167(2) 0.28063(10) 0.2362(2) 0.0167(7) Uani 1 1 d .
O2 O 0.2627(2) 0.32379(12) 0.1296(2) 0.0262(8) Uani 1 1 d .
O3 O 0.4968(2) 0.24607(10) 0.3152(2) 0.0199(7) Uani 1 1 d .
O4 O 0.1857(2) 0.22628(10) 0.2733(2) 0.0171(7) Uani 1 1 d .
O5 O 0.2370(2) 0.18339(11) 0.3805(2) 0.0215(7) Uani 1 1 d .
O6 O 0.0046(2) 0.26284(10) 0.1854(2) 0.0191(7) Uani 1 1 d .
O7 O 0.1633(2) 0.32250(10) 0.2570(2) 0.0209(7) Uani 1 1 d .
O8 O 0.2490(2) 0.29538(10) 0.3815(2) 0.0222(7) Uani 1 1 d .
O9 O 0.2570(3) 0.21013(11) 0.1316(2) 0.0244(8) Uani 1 1 d .
O10 O 0.3423(2) 0.18272(10) 0.2552(2) 0.0207(7) Uani 1 1 d .
O11 O 0.0521(2) 0.32465(10) 0.0708(2) 0.0230(8) Uani 1 1 d .
O12 O -0.0287(2) 0.31147(10) -0.0620(2) 0.0202(7) Uani 1 1 d .
O13 O 0.4507(3) 0.29898(11) 0.4361(2) 0.0264(8) Uani 1 1 d .
O14 O 0.5424(3) 0.28747(11) 0.5665(2) 0.0260(8) Uani 1 1 d .
O15 O 0.1511(3) 0.26205(11) -0.0100(2) 0.0261(8) Uani 1 1 d .
H15C H 0.1901 0.2792 -0.0194 0.039 Uiso 1 1 d R
H15B H 0.0979 0.2656 -0.0461 0.039 Uiso 1 1 d R
O16 O 0.3560(3) 0.23674(12) 0.5155(2) 0.0273(8) Uani 1 1 d .
H16C H 0.4091 0.2313 0.5505 0.041 Uiso 1 1 d R
H16B H 0.3157 0.2195 0.5222 0.041 Uiso 1 1 d R
N1 N 0.2979(4) 0.45049(14) 0.4295(3) 0.0392(13) Uani 1 1 d .
N2 N 0.3375(4) 0.06769(14) 0.0475(3) 0.0382(13) Uani 1 1 d .
N3 N -0.1057(4) 0.46240(14) -0.0210(3) 0.0412(13) Uani 1 1 d .
N4 N 0.5894(4) 0.44175(14) 0.5255(3) 0.0345(12) Uani 1 1 d .
C1 C 0.3270(3) 0.31232(14) 0.1925(3) 0.0143(9) Uani 1 1 d .
C2 C 0.5000 0.26403(19) 0.2500 0.0153(13) Uani 1 2 d S
C3 C 0.5000 0.31229(19) 0.2500 0.0132(12) Uani 1 2 d S
C4 C 0.4168(3) 0.33548(14) 0.2202(3) 0.0152(9) Uani 1 1 d .
C5 C 0.4175(3) 0.37982(15) 0.2182(3) 0.0187(10) Uani 1 1 d .
H5A H 0.3622 0.3947 0.1954 0.022 Uiso 1 1 calc R
C6 C 0.5000 0.4016(2) 0.2500 0.0210(15) Uani 1 2 d S
H6A H 0.5000 0.4312 0.2500 0.025 Uiso 1 2 calc SR
C7 C 0.1734(3) 0.19525(13) 0.3172(3) 0.0140(9) Uani 1 1 d .
C8 C 0.0000 0.24439(19) 0.2500 0.0139(13) Uani 1 2 d S
C9 C 0.0000 0.19593(19) 0.2500 0.0139(12) Uani 1 2 d S
C10 C 0.0825(3) 0.17283(14) 0.2869(3) 0.0157(9) Uani 1 1 d .
C11 C 0.0807(3) 0.12861(15) 0.2892(3) 0.0218(10) Uani 1 1 d .
H11A H 0.1346 0.1137 0.3175 0.026 Uiso 1 1 calc R
C12 C 0.0000 0.1067(2) 0.2500 0.0248(16) Uani 1 2 d S
H12A H 0.0000 0.0771 0.2500 0.030 Uiso 1 2 calc SR
C13 C 0.2139(3) 0.32529(14) 0.3327(3) 0.0174(10) Uani 1 1 d .
C14 C 0.2384(3) 0.36976(14) 0.3669(3) 0.0203(10) Uani 1 1 d .
C15 C 0.2340(4) 0.40381(17) 0.3135(3) 0.0329(13) Uani 1 1 d .
H15A H 0.2098 0.4002 0.2556 0.039 Uiso 1 1 calc R
C16 C 0.2654(5) 0.44279(18) 0.3462(4) 0.0413(16) Uani 1 1 d .
H16A H 0.2643 0.4650 0.3094 0.050 Uiso 1 1 calc R
C17 C 0.2988(5) 0.41755(18) 0.4811(4) 0.0384(15) Uani 1 1 d .
H17A H 0.3192 0.4224 0.5388 0.046 Uiso 1 1 calc R
C18 C 0.2712(4) 0.37720(16) 0.4530(3) 0.0295(12) Uani 1 1 d .
H18A H 0.2743 0.3552 0.4908 0.035 Uiso 1 1 calc R
C19 C 0.3072(3) 0.18222(14) 0.1772(3) 0.0179(10) Uani 1 1 d .
C20 C 0.3245(3) 0.14257(15) 0.1320(3) 0.0200(10) Uani 1 1 d .
C21 C 0.3742(4) 0.10825(18) 0.1745(3) 0.0360(14) Uani 1 1 d .
H21A H 0.4044 0.1098 0.2321 0.043 Uiso 1 1 calc R
C22 C 0.3785(5) 0.07145(19) 0.1303(4) 0.0461(18) Uani 1 1 d .
H22A H 0.4115 0.0483 0.1596 0.055 Uiso 1 1 calc R
C23 C 0.2928(5) 0.10177(16) 0.0060(3) 0.0329(13) Uani 1 1 d .
H23A H 0.2666 0.1002 -0.0521 0.039 Uiso 1 1 calc R
C24 C 0.2841(4) 0.13906(15) 0.0460(3) 0.0234(11) Uani 1 1 d .
H24A H 0.2512 0.1618 0.0152 0.028 Uiso 1 1 calc R
C25 C -0.0013(3) 0.33509(15) 0.0009(3) 0.0134(9) Uani 1 1 d .
C26 C -0.0362(4) 0.38031(15) -0.0084(3) 0.0196(10) Uani 1 1 d .
C27 C -0.0045(5) 0.40865(17) 0.0572(4) 0.0401(16) Uani 1 1 d .
H27A H 0.0404 0.4004 0.1068 0.048 Uiso 1 1 calc R
C28 C -0.0398(5) 0.4490(2) 0.0484(4) 0.054(2) Uani 1 1 d .
H28A H -0.0170 0.4681 0.0925 0.065 Uiso 1 1 calc R
C29 C -0.1345(5) 0.43514(17) -0.0853(4) 0.0365(15) Uani 1 1 d .
H29A H -0.1788 0.4442 -0.1345 0.044 Uiso 1 1 calc R
C30 C -0.1014(4) 0.39441(16) -0.0815(3) 0.0266(12) Uani 1 1 d .
H30A H -0.1225 0.3764 -0.1277 0.032 Uiso 1 1 calc R
C31 C 0.5059(3) 0.31074(15) 0.5047(3) 0.0148(9) Uani 1 1 d .
C32 C 0.5314(3) 0.35733(14) 0.5136(3) 0.0167(9) Uani 1 1 d .
C33 C 0.5871(4) 0.37399(16) 0.5889(3) 0.0283(12) Uani 1 1 d .
H33A H 0.6063 0.3570 0.6367 0.034 Uiso 1 1 calc R
C34 C 0.6136(5) 0.41569(18) 0.5926(4) 0.0387(15) Uani 1 1 d .
H34A H 0.6503 0.4266 0.6439 0.046 Uiso 1 1 calc R
C35 C 0.5330(4) 0.42574(16) 0.4535(4) 0.0344(14) Uani 1 1 d .
H35A H 0.5140 0.4434 0.4067 0.041 Uiso 1 1 calc R
C36 C 0.5018(4) 0.38417(16) 0.4455(3) 0.0282(12) Uani 1 1 d .
H36A H 0.4613 0.3745 0.3947 0.034 Uiso 1 1 calc R
O17 O 0.0000 0.3706(2) 0.2500 0.0555(18) Uani 1 2 d SU
O18 O 0.0000 0.4650(5) 0.2500 0.061(4) Uani 0.50 2 d SPU
O19 O 0.0000 0.4190(3) 0.2500 0.035(3) Uani 0.50 2 d SPU
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'
Nd Nd -0.1943 3.0179 '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
O11 Nd1 O14 94.60(12) . 8_455
O11 Nd1 O4 142.05(11) . .
O14 Nd1 O4 92.25(11) 8_455 .
O11 Nd1 O6 75.33(12) . .
O14 Nd1 O6 68.37(12) 8_455 .
O4 Nd1 O6 72.73(11) . .
O11 Nd1 O9 144.41(12) . .
O14 Nd1 O9 78.12(12) 8_455 .
O4 Nd1 O9 73.47(11) . .
O6 Nd1 O9 130.59(11) . .
O11 Nd1 O7 76.08(11) . .
O14 Nd1 O7 141.39(12) 8_455 .
O4 Nd1 O7 75.44(10) . .
O6 Nd1 O7 73.03(11) . .
O9 Nd1 O7 129.87(11) . .
O11 Nd1 O2 75.12(12) . .
O14 Nd1 O2 143.26(12) 8_455 .
O4 Nd1 O2 117.72(10) . .
O6 Nd1 O2 137.88(11) . .
O9 Nd1 O2 89.98(13) . .
O7 Nd1 O2 71.21(12) . .
O11 Nd1 O1 120.06(11) . .
O14 Nd1 O1 143.27(11) 8_455 .
O4 Nd1 O1 68.49(10) . .
O6 Nd1 O1 128.65(11) . .
O9 Nd1 O1 66.70(11) . .
O7 Nd1 O1 65.70(11) . .
O2 Nd1 O1 50.18(10) . .
O11 Nd1 O15 74.96(11) . .
O14 Nd1 O15 69.36(12) 8_455 .
O4 Nd1 O15 141.52(11) . .
O6 Nd1 O15 125.18(12) . .
O9 Nd1 O15 69.86(11) . .
O7 Nd1 O15 139.13(11) . .
O2 Nd1 O15 73.90(11) . .
O1 Nd1 O15 106.08(11) . .
O12 Nd2 O1 140.19(11) 8_556 .
O12 Nd2 O13 93.16(12) 8_556 .
O1 Nd2 O13 88.05(11) . .
O12 Nd2 O3 72.00(11) 8_556 .
O1 Nd2 O3 70.76(11) . .
O13 Nd2 O3 71.46(12) . .
O12 Nd2 O10 78.42(11) 8_556 .
O1 Nd2 O10 78.26(11) . .
O13 Nd2 O10 145.24(12) . .
O3 Nd2 O10 73.87(11) . .
O12 Nd2 O8 143.84(11) 8_556 .
O1 Nd2 O8 73.67(11) . .
O13 Nd2 O8 71.88(12) . .
O3 Nd2 O8 128.93(11) . .
O10 Nd2 O8 131.87(11) . .
O12 Nd2 O16 72.45(12) 8_556 .
O1 Nd2 O16 144.37(11) . .
O13 Nd2 O16 73.36(12) . .
O3 Nd2 O16 127.55(12) . .
O10 Nd2 O16 132.96(11) . .
O8 Nd2 O16 71.74(11) . .
O12 Nd2 O5 85.20(11) 8_556 .
O1 Nd2 O5 117.17(10) . .
O13 Nd2 O5 141.36(12) . .
O3 Nd2 O5 142.14(11) . .
O10 Nd2 O5 72.16(11) . .
O8 Nd2 O5 86.98(12) . .
O16 Nd2 O5 69.36(11) . .
O12 Nd2 O4 128.96(10) 8_556 .
O1 Nd2 O4 68.26(10) . .
O13 Nd2 O4 136.00(11) . .
O3 Nd2 O4 127.80(11) . .
O10 Nd2 O4 67.37(11) . .
O8 Nd2 O4 66.18(11) . .
O16 Nd2 O4 104.52(11) . .
O5 Nd2 O4 49.44(10) . .
N1 Cu1 N4 155.3(2) . 5_666
N1 Cu1 Cl1 104.18(17) . 4
N4 Cu1 Cl1 100.57(15) 5_666 4
N1 Cu1 Cu2 84.69(17) . 4
N4 Cu1 Cu2 111.85(16) 5_666 4
Cl1 Cu1 Cu2 49.99(6) 4 4
N2 Cu2 N3 143.8(2) . 3_545
N2 Cu2 Cl1 110.60(17) . .
N3 Cu2 Cl1 105.37(16) 3_545 .
N2 Cu2 Cu1 83.17(17) . 4_545
N3 Cu2 Cu1 114.84(18) 3_545 4_545
Cl1 Cu2 Cu1 55.95(6) . 4_545
Cu2 Cl1 Cu1 74.06(6) . 4_545
C1 O1 Nd2 152.5(3) . .
C1 O1 Nd1 93.5(3) . .
Nd2 O1 Nd1 112.12(12) . .
C1 O2 Nd1 95.6(3) . .
C2 O3 Nd2 127.0(2) . .
C7 O4 Nd1 152.0(3) . .
C7 O4 Nd2 94.6(3) . .
Nd1 O4 Nd2 111.08(12) . .
C7 O5 Nd2 95.3(3) . .
C8 O6 Nd1 124.3(2) . .
C13 O7 Nd1 133.4(3) . .
C13 O8 Nd2 128.2(3) . .
C19 O9 Nd1 138.4(3) . .
C19 O10 Nd2 133.5(3) . .
C25 O11 Nd1 142.0(3) . .
C25 O12 Nd2 146.1(3) . 8_455
C31 O13 Nd2 143.2(3) . .
C31 O14 Nd1 154.9(3) . 8_556
Nd1 O15 H15C 112.3 . .
Nd1 O15 H15B 112.5 . .
H15C O15 H15B 110.1 . .
Nd2 O16 H16C 112.5 . .
Nd2 O16 H16B 112.5 . .
H16C O16 H16B 110.1 . .
C17 N1 C16 117.0(5) . .
C17 N1 Cu1 120.3(4) . .
C16 N1 Cu1 122.5(4) . .
C22 N2 C23 117.6(5) . .
C22 N2 Cu2 124.5(4) . .
C23 N2 Cu2 117.7(4) . .
C29 N3 C28 117.6(5) . .
C29 N3 Cu2 123.1(4) . 3_455
C28 N3 Cu2 118.2(4) . 3_455
C35 N4 C34 116.9(5) . .
C35 N4 Cu1 119.9(4) . 5_666
C34 N4 Cu1 122.0(4) . 5_666
O2 C1 O1 120.7(4) . .
O2 C1 C4 121.3(4) . .
O1 C1 C4 117.9(4) . .
O3 C2 O3 126.0(6) . 2_655
O3 C2 C3 117.0(3) . .
O3 C2 C3 117.0(3) 2_655 .
C4 C3 C4 117.4(6) 2_655 .
C4 C3 C2 121.3(3) 2_655 .
C4 C3 C2 121.3(3) . .
C5 C4 C3 121.0(4) . .
C5 C4 C1 119.8(4) . .
C3 C4 C1 119.2(4) . .
C6 C5 C4 120.1(4) . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C5 C6 C5 120.3(6) . 2_655
C5 C6 H6A 119.8 . .
C5 C6 H6A 119.8 2_655 .
O5 C7 O4 120.6(4) . .
O5 C7 C10 122.3(4) . .
O4 C7 C10 117.0(4) . .
O6 C8 O6 124.7(6) 2 .
O6 C8 C9 117.7(3) 2 .
O6 C8 C9 117.7(3) . .
C10 C9 C10 117.9(6) . 2
C10 C9 C8 121.0(3) . .
C10 C9 C8 121.0(3) 2 .
C11 C10 C9 120.4(4) . .
C11 C10 C7 119.2(4) . .
C9 C10 C7 120.2(4) . .
C12 C11 C10 120.6(5) . .
C12 C11 H11A 119.7 . .
C10 C11 H11A 119.7 . .
C11 C12 C11 119.9(6) 2 .
C11 C12 H12A 120.1 2 .
C11 C12 H12A 120.1 . .
O8 C13 O7 127.2(4) . .
O8 C13 C14 116.3(4) . .
O7 C13 C14 116.4(4) . .
C15 C14 C18 118.0(4) . .
C15 C14 C13 120.9(4) . .
C18 C14 C13 121.0(4) . .
C16 C15 C14 119.7(5) . .
C16 C15 H15A 120.2 . .
C14 C15 H15A 120.2 . .
N1 C16 C15 123.0(5) . .
N1 C16 H16A 118.5 . .
C15 C16 H16A 118.5 . .
N1 C17 C18 123.3(5) . .
N1 C17 H17A 118.3 . .
C18 C17 H17A 118.3 . .
C17 C18 C14 118.9(5) . .
C17 C18 H18A 120.5 . .
C14 C18 H18A 120.5 . .
O10 C19 O9 127.4(4) . .
O10 C19 C20 116.7(4) . .
O9 C19 C20 115.9(4) . .
C21 C20 C24 117.8(4) . .
C21 C20 C19 122.3(4) . .
C24 C20 C19 119.7(4) . .
C20 C21 C22 119.1(5) . .
C20 C21 H21A 120.4 . .
C22 C21 H21A 120.4 . .
N2 C22 C21 123.0(5) . .
N2 C22 H22A 118.5 . .
C21 C22 H22A 118.5 . .
N2 C23 C24 122.6(5) . .
N2 C23 H23A 118.7 . .
C24 C23 H23A 118.7 . .
C23 C24 C20 119.8(5) . .
C23 C24 H24A 120.1 . .
C20 C24 H24A 120.1 . .
O11 C25 O12 125.8(4) . .
O11 C25 C26 116.8(4) . .
O12 C25 C26 117.4(4) . .
C27 C26 C30 118.2(5) . .
C27 C26 C25 120.3(4) . .
C30 C26 C25 121.6(4) . .
C28 C27 C26 119.2(5) . .
C28 C27 H27A 120.4 . .
C26 C27 H27A 120.4 . .
N3 C28 C27 123.0(5) . .
N3 C28 H28A 118.5 . .
C27 C28 H28A 118.5 . .
N3 C29 C30 122.7(5) . .
N3 C29 H29A 118.7 . .
C30 C29 H29A 118.7 . .
C29 C30 C26 119.3(5) . .
C29 C30 H30A 120.3 . .
C26 C30 H30A 120.3 . .
O13 C31 O14 125.9(4) . .
O13 C31 C32 117.1(4) . .
O14 C31 C32 117.0(4) . .
C36 C32 C33 118.1(4) . .
C36 C32 C31 120.4(4) . .
C33 C32 C31 121.5(4) . .
C34 C33 C32 119.4(5) . .
C34 C33 H33A 120.3 . .
C32 C33 H33A 120.3 . .
N4 C34 C33 123.2(5) . .
N4 C34 H34A 118.4 . .
C33 C34 H34A 118.4 . .
N4 C35 C36 123.1(5) . .
N4 C35 H35A 118.5 . .
C36 C35 H35A 118.5 . .
C32 C36 C35 119.1(5) . .
C32 C36 H36A 120.5 . .
C35 C36 H36A 120.5 . .
O18 O19 O17 180.000(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O11 2.395(3) .
Nd1 O14 2.405(3) 8_455
Nd1 O4 2.434(3) .
Nd1 O6 2.474(3) .
Nd1 O9 2.490(3) .
Nd1 O7 2.544(3) .
Nd1 O2 2.566(3) .
Nd1 O1 2.591(3) .
Nd1 O15 2.592(4) .
Nd2 O12 2.368(3) 8_556
Nd2 O1 2.426(3) .
Nd2 O13 2.431(3) .
Nd2 O3 2.487(3) .
Nd2 O10 2.497(3) .
Nd2 O8 2.511(3) .
Nd2 O16 2.547(4) .
Nd2 O5 2.611(3) .
Nd2 O4 2.613(3) .
Cu1 N1 1.923(4) .
Cu1 N4 1.928(4) 5_666
Cu1 Cl1 2.589(2) 4
Cu1 Cu2 3.0042(16) 4
Cu2 N2 1.937(4) .
Cu2 N3 1.948(5) 3_545
Cu2 Cl1 2.393(2) .
Cu2 Cu1 3.0042(16) 4_545
Cl1 Cu1 2.589(2) 4_545
O1 C1 1.275(5) .
O2 C1 1.241(5) .
O3 C2 1.245(4) .
O4 C7 1.270(5) .
O5 C7 1.244(5) .
O6 C8 1.249(4) .
O7 C13 1.261(6) .
O8 C13 1.250(6) .
O9 C19 1.252(6) .
O10 C19 1.248(5) .
O11 C25 1.240(5) .
O12 C25 1.249(5) .
O12 Nd2 2.368(3) 8_455
O13 C31 1.247(5) .
O14 C31 1.247(5) .
O14 Nd1 2.405(3) 8_556
O15 H15C 0.8500 .
O15 H15B 0.8501 .
O16 H16C 0.8498 .
O16 H16B 0.8499 .
N1 C17 1.347(7) .
N1 C16 1.348(8) .
N2 C22 1.336(7) .
N2 C23 1.339(7) .
N3 C29 1.338(7) .
N3 C28 1.339(8) .
N3 Cu2 1.948(5) 3_455
N4 C35 1.338(7) .
N4 C34 1.345(7) .
N4 Cu1 1.928(4) 5_666
C1 C4 1.483(6) .
C2 O3 1.245(4) 2_655
C2 C3 1.517(8) .
C3 C4 1.404(5) 2_655
C3 C4 1.404(5) .
C4 C5 1.395(6) .
C5 C6 1.375(6) .
C5 H5A 0.9300 .
C6 C5 1.375(6) 2_655
C6 H6A 0.9300 .
C7 C10 1.487(6) .
C8 O6 1.249(4) 2
C8 C9 1.524(8) .
C9 C10 1.408(5) .
C9 C10 1.408(5) 2
C10 C11 1.391(6) .
C11 C12 1.377(6) .
C11 H11A 0.9300 .
C12 C11 1.377(6) 2
C12 H12A 0.9300 .
C13 C14 1.513(6) .
C14 C15 1.383(7) .
C14 C18 1.389(7) .
C15 C16 1.366(8) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.372(7) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.523(6) .
C20 C21 1.379(7) .
C20 C24 1.382(6) .
C21 C22 1.387(8) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.377(7) .
C23 H23A 0.9300 .
C24 H24A 0.9300 .
C25 C26 1.508(6) .
C26 C27 1.379(7) .
C26 C30 1.382(6) .
C27 C28 1.368(8) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.369(7) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C31 C32 1.510(6) .
C32 C36 1.377(7) .
C32 C33 1.381(7) .
C33 C34 1.367(7) .
C33 H33A 0.9300 .
C34 H34A 0.9300 .
C35 C36 1.382(7) .
C35 H35A 0.9300 .
C36 H36A 0.9300 .
O17 O19 1.520(12) .
O18 O19 1.448(18) .
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
O15 H15C O9 0.85 2.29 2.937(5) 133.3 7
O15 H15B O3 0.85 2.37 3.130(5) 148.3 8_455
O16 H16C O6 0.85 2.28 3.023(5) 146.7 8_556
O16 H16B O8 0.85 2.19 2.873(5) 137.8 7_556
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
N2 Cu2 Cl1 Cu1 -65.97(18) . 4_545
N3 Cu2 Cl1 Cu1 109.88(18) 3_545 4_545
O12 Nd2 O1 C1 -78.6(7) 8_556 .
O13 Nd2 O1 C1 14.0(6) . .
O3 Nd2 O1 C1 -57.1(6) . .
O10 Nd2 O1 C1 -133.9(6) . .
O8 Nd2 O1 C1 85.6(6) . .
O16 Nd2 O1 C1 71.3(7) . .
O5 Nd2 O1 C1 163.4(6) . .
O4 Nd2 O1 C1 156.0(7) . .
O12 Nd2 O1 Nd1 123.66(15) 8_556 .
O13 Nd2 O1 Nd1 -143.75(15) . .
O3 Nd2 O1 Nd1 145.22(16) . .
O10 Nd2 O1 Nd1 68.39(13) . .
O8 Nd2 O1 Nd1 -72.07(13) . .
O16 Nd2 O1 Nd1 -86.4(2) . .
O5 Nd2 O1 Nd1 5.68(17) . .
O4 Nd2 O1 Nd1 -1.71(10) . .
O11 Nd1 O1 C1 -29.4(3) . .
O14 Nd1 O1 C1 129.2(3) 8_455 .
O4 Nd1 O1 C1 -168.1(3) . .
O6 Nd1 O1 C1 -124.4(3) . .
O9 Nd1 O1 C1 111.3(3) . .
O7 Nd1 O1 C1 -84.9(3) . .
O2 Nd1 O1 C1 0.3(2) . .
O15 Nd1 O1 C1 52.3(3) . .
O11 Nd1 O1 Nd2 140.53(13) . .
O14 Nd1 O1 Nd2 -60.9(2) 8_455 .
O4 Nd1 O1 Nd2 1.84(11) . .
O6 Nd1 O1 Nd2 45.47(18) . .
O9 Nd1 O1 Nd2 -78.77(14) . .
O7 Nd1 O1 Nd2 85.03(14) . .
O2 Nd1 O1 Nd2 170.2(2) . .
O15 Nd1 O1 Nd2 -137.81(13) . .
O11 Nd1 O2 C1 153.4(3) . .
O14 Nd1 O2 C1 -129.2(3) 8_455 .
O4 Nd1 O2 C1 11.9(3) . .
O6 Nd1 O2 C1 106.6(3) . .
O9 Nd1 O2 C1 -59.3(3) . .
O7 Nd1 O2 C1 73.3(3) . .
O1 Nd1 O2 C1 -0.3(3) . .
O15 Nd1 O2 C1 -128.3(3) . .
O12 Nd2 O3 C2 162.8(4) 8_556 .
O1 Nd2 O3 C2 -2.9(4) . .
O13 Nd2 O3 C2 -97.4(4) . .
O10 Nd2 O3 C2 80.0(4) . .
O8 Nd2 O3 C2 -51.3(4) . .
O16 Nd2 O3 C2 -147.7(4) . .
O5 Nd2 O3 C2 106.9(4) . .
O4 Nd2 O3 C2 37.0(4) . .
O11 Nd1 O4 C7 91.2(6) . .
O14 Nd1 O4 C7 -9.2(6) 8_455 .
O6 Nd1 O4 C7 57.3(6) . .
O9 Nd1 O4 C7 -86.1(6) . .
O7 Nd1 O4 C7 133.7(6) . .
O2 Nd1 O4 C7 -167.1(6) . .
O1 Nd1 O4 C7 -157.1(7) . .
O15 Nd1 O4 C7 -68.0(7) . .
O11 Nd1 O4 Nd2 -113.42(18) . .
O14 Nd1 O4 Nd2 146.16(14) 8_455 .
O6 Nd1 O4 Nd2 -147.33(15) . .
O9 Nd1 O4 Nd2 69.25(13) . .
O7 Nd1 O4 Nd2 -70.92(13) . .
O2 Nd1 O4 Nd2 -11.76(18) . .
O1 Nd1 O4 Nd2 -1.69(10) . .
O15 Nd1 O4 Nd2 87.32(19) . .
O12 Nd2 O4 C7 32.7(3) 8_556 .
O1 Nd2 O4 C7 170.5(3) . .
O13 Nd2 O4 C7 -127.2(3) . .
O3 Nd2 O4 C7 129.8(3) . .
O10 Nd2 O4 C7 84.6(3) . .
O8 Nd2 O4 C7 -108.4(3) . .
O16 Nd2 O4 C7 -46.3(3) . .
O5 Nd2 O4 C7 -0.8(2) . .
O12 Nd2 O4 Nd1 -136.02(13) 8_556 .
O1 Nd2 O4 Nd1 1.81(11) . .
O13 Nd2 O4 Nd1 64.1(2) . .
O3 Nd2 O4 Nd1 -38.88(18) . .
O10 Nd2 O4 Nd1 -84.11(14) . .
O8 Nd2 O4 Nd1 82.91(14) . .
O16 Nd2 O4 Nd1 145.00(13) . .
O5 Nd2 O4 Nd1 -169.5(2) . .
O12 Nd2 O5 C7 -153.7(3) 8_556 .
O1 Nd2 O5 C7 -8.2(3) . .
O13 Nd2 O5 C7 117.3(3) . .
O3 Nd2 O5 C7 -101.5(3) . .
O10 Nd2 O5 C7 -74.3(3) . .
O8 Nd2 O5 C7 61.7(3) . .
O16 Nd2 O5 C7 133.3(3) . .
O4 Nd2 O5 C7 0.8(2) . .
O11 Nd1 O6 C8 -158.9(4) . .
O14 Nd1 O6 C8 100.0(4) 8_455 .
O4 Nd1 O6 C8 0.4(4) . .
O9 Nd1 O6 C8 49.2(4) . .
O7 Nd1 O6 C8 -79.2(4) . .
O2 Nd1 O6 C8 -112.1(4) . .
O1 Nd1 O6 C8 -41.9(4) . .
O15 Nd1 O6 C8 142.0(4) . .
O11 Nd1 O7 C13 -172.5(4) . .
O14 Nd1 O7 C13 107.7(4) 8_455 .
O4 Nd1 O7 C13 32.8(4) . .
O6 Nd1 O7 C13 108.9(4) . .
O9 Nd1 O7 C13 -20.3(5) . .
O2 Nd1 O7 C13 -93.8(4) . .
O1 Nd1 O7 C13 -39.8(4) . .
O15 Nd1 O7 C13 -126.5(4) . .
O12 Nd2 O8 C13 158.8(3) 8_556 .
O1 Nd2 O8 C13 -4.1(4) . .
O13 Nd2 O8 C13 89.2(4) . .
O3 Nd2 O8 C13 43.2(4) . .
O10 Nd2 O8 C13 -60.9(4) . .
O16 Nd2 O8 C13 167.2(4) . .
O5 Nd2 O8 C13 -123.6(4) . .
O4 Nd2 O8 C13 -77.1(4) . .
O11 Nd1 O9 C19 175.2(4) . .
O14 Nd1 O9 C19 -103.6(5) 8_455 .
O4 Nd1 O9 C19 -7.6(5) . .
O6 Nd1 O9 C19 -56.1(5) . .
O7 Nd1 O9 C19 46.3(5) . .
O2 Nd1 O9 C19 111.4(5) . .
O1 Nd1 O9 C19 65.6(5) . .
O15 Nd1 O9 C19 -175.7(5) . .
O12 Nd2 O10 C19 -161.9(5) 8_556 .
O1 Nd2 O10 C19 -14.4(4) . .
O13 Nd2 O10 C19 -83.3(5) . .
O3 Nd2 O10 C19 -87.5(4) . .
O8 Nd2 O10 C19 40.7(5) . .
O16 Nd2 O10 C19 145.8(4) . .
O5 Nd2 O10 C19 109.4(4) . .
O4 Nd2 O10 C19 56.7(4) . .
O14 Nd1 O11 C25 -34.9(5) 8_455 .
O4 Nd1 O11 C25 -134.6(5) . .
O6 Nd1 O11 C25 -101.2(5) . .
O9 Nd1 O11 C25 41.0(6) . .
O7 Nd1 O11 C25 -176.9(5) . .
O2 Nd1 O11 C25 109.2(5) . .
O1 Nd1 O11 C25 132.4(5) . .
O15 Nd1 O11 C25 32.2(5) . .
O12 Nd2 O13 C31 -34.8(6) 8_556 .
O1 Nd2 O13 C31 -174.9(6) . .
O3 Nd2 O13 C31 -104.6(6) . .
O10 Nd2 O13 C31 -108.9(5) . .
O8 Nd2 O13 C31 111.6(6) . .
O16 Nd2 O13 C31 35.9(5) . .
O5 Nd2 O13 C31 51.5(6) . .
O4 Nd2 O13 C31 129.7(5) . .
N4 Cu1 N1 C17 148.6(6) 5_666 .
Cl1 Cu1 N1 C17 -31.3(5) 4 .
Cu2 Cu1 N1 C17 -77.7(5) 4 .
N4 Cu1 N1 C16 -27.0(9) 5_666 .
Cl1 Cu1 N1 C16 153.1(5) 4 .
Cu2 Cu1 N1 C16 106.7(5) 4 .
N3 Cu2 N2 C22 -33.5(8) 3_545 .
Cl1 Cu2 N2 C22 139.7(6) . .
Cu1 Cu2 N2 C22 90.1(6) 4_545 .
N3 Cu2 N2 C23 151.8(5) 3_545 .
Cl1 Cu2 N2 C23 -35.0(5) . .
Cu1 Cu2 N2 C23 -84.6(5) 4_545 .
Nd1 O2 C1 O1 0.6(5) . .
Nd1 O2 C1 C4 -177.9(4) . .
Nd2 O1 C1 O2 -160.0(4) . .
Nd1 O1 C1 O2 -0.6(5) . .
Nd2 O1 C1 C4 18.5(9) . .
Nd1 O1 C1 C4 177.9(4) . .
Nd2 O3 C2 O3 -104.8(3) . 2_655
Nd2 O3 C2 C3 75.2(3) . .
O3 C2 C3 C4 87.5(3) . 2_655
O3 C2 C3 C4 -92.5(3) 2_655 2_655
O3 C2 C3 C4 -92.5(3) . .
O3 C2 C3 C4 87.5(3) 2_655 .
C4 C3 C4 C5 1.8(3) 2_655 .
C2 C3 C4 C5 -178.2(3) . .
C4 C3 C4 C1 -176.7(5) 2_655 .
C2 C3 C4 C1 3.3(5) . .
O2 C1 C4 C5 41.0(7) . .
O1 C1 C4 C5 -137.5(5) . .
O2 C1 C4 C3 -140.4(4) . .
O1 C1 C4 C3 41.1(6) . .
C3 C4 C5 C6 -3.7(6) . .
C1 C4 C5 C6 174.9(4) . .
C4 C5 C6 C5 1.8(3) . 2_655
Nd2 O5 C7 O4 -1.5(5) . .
Nd2 O5 C7 C10 175.3(4) . .
Nd1 O4 C7 O5 158.6(4) . .
Nd2 O4 C7 O5 1.5(5) . .
Nd1 O4 C7 C10 -18.4(9) . .
Nd2 O4 C7 C10 -175.4(3) . .
Nd1 O6 C8 O6 106.7(3) . 2
Nd1 O6 C8 C9 -73.3(3) . .
O6 C8 C9 C10 -82.6(3) 2 .
O6 C8 C9 C10 97.4(3) . .
O6 C8 C9 C10 97.4(3) 2 2
O6 C8 C9 C10 -82.6(3) . 2
C10 C9 C10 C11 -2.4(3) 2 .
C8 C9 C10 C11 177.6(3) . .
C10 C9 C10 C7 172.4(5) 2 .
C8 C9 C10 C7 -7.6(5) . .
O5 C7 C10 C11 -39.8(7) . .
O4 C7 C10 C11 137.1(5) . .
O5 C7 C10 C9 145.3(4) . .
O4 C7 C10 C9 -37.8(6) . .
C9 C10 C11 C12 4.9(7) . .
C7 C10 C11 C12 -169.9(4) . .
C10 C11 C12 C11 -2.5(3) . 2
Nd2 O8 C13 O7 58.9(7) . .
Nd2 O8 C13 C14 -118.1(4) . .
Nd1 O7 C13 O8 -26.0(8) . .
Nd1 O7 C13 C14 151.1(3) . .
O8 C13 C14 C15 155.9(5) . .
O7 C13 C14 C15 -21.5(7) . .
O8 C13 C14 C18 -20.3(7) . .
O7 C13 C14 C18 162.3(5) . .
C18 C14 C15 C16 2.9(9) . .
C13 C14 C15 C16 -173.4(5) . .
C17 N1 C16 C15 0.2(10) . .
Cu1 N1 C16 C15 176.0(5) . .
C14 C15 C16 N1 -2.6(10) . .
C16 N1 C17 C18 1.9(10) . .
Cu1 N1 C17 C18 -174.0(5) . .
N1 C17 C18 C14 -1.5(10) . .
C15 C14 C18 C17 -0.9(9) . .
C13 C14 C18 C17 175.4(5) . .
Nd2 O10 C19 O9 -11.0(8) . .
Nd2 O10 C19 C20 171.2(3) . .
Nd1 O9 C19 O10 -26.9(9) . .
Nd1 O9 C19 C20 150.9(4) . .
O10 C19 C20 C21 1.7(8) . .
O9 C19 C20 C21 -176.4(5) . .
O10 C19 C20 C24 177.0(5) . .
O9 C19 C20 C24 -1.0(7) . .
C24 C20 C21 C22 -2.5(9) . .
C19 C20 C21 C22 173.0(6) . .
C23 N2 C22 C21 2.1(11) . .
Cu2 N2 C22 C21 -172.7(5) . .
C20 C21 C22 N2 0.8(11) . .
C22 N2 C23 C24 -3.3(10) . .
Cu2 N2 C23 C24 171.8(5) . .
N2 C23 C24 C20 1.7(10) . .
C21 C20 C24 C23 1.3(8) . .
C19 C20 C24 C23 -174.3(5) . .
Nd1 O11 C25 O12 5.3(8) . .
Nd1 O11 C25 C26 -174.8(4) . .
Nd2 O12 C25 O11 87.4(7) 8_455 .
Nd2 O12 C25 C26 -92.5(6) 8_455 .
O11 C25 C26 C27 3.8(7) . .
O12 C25 C26 C27 -176.3(5) . .
O11 C25 C26 C30 -175.1(5) . .
O12 C25 C26 C30 4.8(7) . .
C30 C26 C27 C28 1.4(10) . .
C25 C26 C27 C28 -177.5(6) . .
C29 N3 C28 C27 -3.0(12) . .
Cu2 N3 C28 C27 165.3(6) 3_455 .
C26 C27 C28 N3 1.3(12) . .
C28 N3 C29 C30 2.0(11) . .
Cu2 N3 C29 C30 -165.7(5) 3_455 .
N3 C29 C30 C26 0.7(10) . .
C27 C26 C30 C29 -2.4(9) . .
C25 C26 C30 C29 176.6(5) . .
Nd2 O13 C31 O14 8.6(9) . .
Nd2 O13 C31 C32 -171.9(4) . .
Nd1 O14 C31 O13 71.1(9) 8_556 .
Nd1 O14 C31 C32 -108.5(7) 8_556 .
O13 C31 C32 C36 -6.4(7) . .
O14 C31 C32 C36 173.2(5) . .
O13 C31 C32 C33 175.6(5) . .
O14 C31 C32 C33 -4.8(7) . .
C36 C32 C33 C34 -2.5(8) . .
C31 C32 C33 C34 175.5(5) . .
C35 N4 C34 C33 3.2(10) . .
Cu1 N4 C34 C33 -164.8(5) 5_666 .
C32 C33 C34 N4 -1.1(10) . .
C34 N4 C35 C36 -1.7(10) . .
Cu1 N4 C35 C36 166.4(5) 5_666 .
C33 C32 C36 C35 3.8(8) . .
C31 C32 C36 C35 -174.3(5) . .
N4 C35 C36 C32 -1.7(10) . .
