#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:42:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179932 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/27/7022781.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_7022781
loop_
_publ_author_name
'Feng, Xun'
'Feng, Yu-Quan'
'Liu, Lang'
'Wang, Li-Ya'
'Song, Hong-Liang'
'Ng, Seik-Weng'
_publ_section_title
;
 A series of Zn-4f heterometallic coordination polymers and a zinc complex
 containing a flexible mixed donor dicarboxylate ligand.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7741
_journal_page_last               7754
_journal_paper_doi               10.1039/c3dt33002h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C26 H16 Cl N2 Nd O11 Zn'
_chemical_formula_weight         777.47
_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                107.5420(10)
_cell_angle_beta                 104.4380(10)
_cell_angle_gamma                92.7310(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4660(9)
_cell_length_b                   12.8420(14)
_cell_length_c                   13.4340(14)
_cell_measurement_reflns_used    7767
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1336.7(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10248
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.984
_exptl_absorpt_correction_T_max  0.6467
_exptl_absorpt_correction_T_min  0.4581
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_meas      1.9
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             762
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0183
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0293P)²+0.5410P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0468
_refine_ls_wR_factor_ref         0.0483
_reflns_number_gt                4635
_reflns_number_total             4945
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33002h.txt
_cod_data_source_block           Nd
_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.

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               7022781
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
Nd1 Nd 0.753537(13) 0.010832(10) 0.510231(9) 0.01597(5) Uani 1 1 d .
Zn1 Zn 0.67626(3) 0.27979(2) 0.33953(2) 0.02491(7) Uani 1 1 d .
O1 O 0.8467(2) 0.31598(15) 0.47992(14) 0.0292(4) Uani 1 1 d .
O2 O 0.69943(19) 0.20036(14) 0.52662(14) 0.0251(4) Uani 1 1 d .
O3 O 1.02570(18) 0.11003(13) 0.55516(13) 0.0204(3) Uani 1 1 d .
O4 O 1.28484(19) 0.18551(14) 0.61577(14) 0.0274(4) Uani 1 1 d .
O5 O 0.7333(2) 0.43797(15) 0.71076(16) 0.0348(4) Uani 1 1 d .
O6 O 0.5948(2) 0.12419(14) 0.25044(14) 0.0290(4) Uani 1 1 d .
O7 O 0.77910(19) 0.04310(14) 0.34258(12) 0.0215(3) Uani 1 1 d .
O8 O 0.46870(19) -0.01841(14) 0.38979(12) 0.0218(3) Uani 1 1 d .
O9 O 0.2305(2) -0.11896(15) 0.29301(13) 0.0279(4) Uani 1 1 d .
O10 O 0.7400(2) -0.04680(16) 0.08193(15) 0.0373(5) Uani 1 1 d .
O11 O 0.8787(2) -0.08855(15) 0.63444(14) 0.0309(4) Uani 1 1 d .
H1W H 0.8583 -0.0966 0.6907 0.046 Uiso 1 1 d R
H2W H 0.9820 -0.0890 0.6457 0.046 Uiso 1 1 d R
N1 N 0.5272(3) 0.64995(18) 0.63112(18) 0.0300(5) Uani 1 1 d .
N2 N 0.8600(3) -0.1061(2) -0.16857(18) 0.0369(6) Uani 1 1 d .
Cl1 Cl 0.77067(9) 0.37122(6) 0.24532(6) 0.03774(16) Uani 1 1 d .
C1 C 0.8909(3) 0.4067(2) 0.7374(2) 0.0263(5) Uani 1 1 d .
C2 C 0.9338(3) 0.32036(19) 0.66141(19) 0.0211(5) Uani 1 1 d .
C3 C 1.0888(3) 0.28655(19) 0.69181(19) 0.0212(5) Uani 1 1 d .
C4 C 1.1941(3) 0.3383(2) 0.7948(2) 0.0298(6) Uani 1 1 d .
H4 H 1.2982 0.3174 0.8134 0.036 Uiso 1 1 calc R
C5 C 1.1456(4) 0.4209(2) 0.8702(2) 0.0367(7) Uani 1 1 d .
H5 H 1.2150 0.4531 0.9401 0.044 Uiso 1 1 calc R
C6 C 0.9929(4) 0.4554(2) 0.8409(2) 0.0354(6) Uani 1 1 d .
H6 H 0.9597 0.5110 0.8909 0.042 Uiso 1 1 calc R
C7 C 0.8173(3) 0.27360(19) 0.54764(19) 0.0217(5) Uani 1 1 d .
C8 C 1.1379(3) 0.18995(19) 0.61683(18) 0.0196(5) Uani 1 1 d .
C9 C 0.5699(3) 0.5698(2) 0.6739(2) 0.0300(6) Uani 1 1 d .
H9 H 0.5027 0.5460 0.7101 0.036 Uiso 1 1 calc R
C10 C 0.7112(3) 0.5215(2) 0.6655(2) 0.0266(5) Uani 1 1 d .
C11 C 0.8125(3) 0.5560(2) 0.6126(2) 0.0318(6) Uani 1 1 d .
H11 H 0.9086 0.5254 0.6071 0.038 Uiso 1 1 calc R
C12 C 0.7665(3) 0.6375(2) 0.5680(3) 0.0382(7) Uani 1 1 d .
H12 H 0.8319 0.6623 0.5312 0.046 Uiso 1 1 calc R
C13 C 0.6229(3) 0.6825(2) 0.5778(2) 0.0361(6) Uani 1 1 d .
H13 H 0.5927 0.7367 0.5465 0.043 Uiso 1 1 calc R
C14 C 0.6172(3) -0.1133(2) 0.09332(19) 0.0251(5) Uani 1 1 d .
C15 C 0.5683(3) -0.07009(19) 0.18825(18) 0.0199(5) Uani 1 1 d .
C16 C 0.4419(3) -0.13095(19) 0.20474(18) 0.0201(5) Uani 1 1 d .
C17 C 0.3689(3) -0.2338(2) 0.1286(2) 0.0271(5) Uani 1 1 d .
H17 H 0.2862 -0.2748 0.1404 0.033 Uiso 1 1 calc R
C18 C 0.4201(3) -0.2739(2) 0.0361(2) 0.0329(6) Uani 1 1 d .
H18 H 0.3718 -0.3424 -0.0140 0.039 Uiso 1 1 calc R
C19 C 0.5425(3) -0.2137(2) 0.0170(2) 0.0327(6) Uani 1 1 d .
H19 H 0.5742 -0.2404 -0.0465 0.039 Uiso 1 1 calc R
C20 C 0.6537(3) 0.04127(19) 0.26687(18) 0.0197(5) Uani 1 1 d .
C21 C 0.3755(3) -0.08840(19) 0.30059(18) 0.0197(5) Uani 1 1 d .
C22 C 0.7872(3) -0.0662(2) -0.0901(2) 0.0326(6) Uani 1 1 d .
H22 H 0.7125 -0.0165 -0.0984 0.039 Uiso 1 1 calc R
C23 C 0.8188(3) -0.0957(2) 0.0024(2) 0.0293(6) Uani 1 1 d .
C24 C 0.9302(4) -0.1675(3) 0.0185(2) 0.0419(7) Uani 1 1 d .
H24 H 0.9555 -0.1862 0.0818 0.050 Uiso 1 1 calc R
C25 C 1.0028(4) -0.2106(3) -0.0635(3) 0.0451(8) Uani 1 1 d .
H25 H 1.0758 -0.2618 -0.0577 0.054 Uiso 1 1 calc R
C26 C 0.9666(4) -0.1775(3) -0.1541(2) 0.0394(7) Uani 1 1 d .
H26 H 1.0187 -0.2061 -0.2078 0.047 Uiso 1 1 calc R
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'
Zn Zn 0.2839 1.4301 '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'
Cl Cl 0.1484 0.1585 '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
O3 Nd1 O2 76.82(5) . .
O3 Nd1 O11 86.42(6) . .
O2 Nd1 O11 136.50(6) . .
O3 Nd1 O7 73.87(5) . .
O2 Nd1 O7 73.16(6) . .
O11 Nd1 O7 139.70(6) . .
O3 Nd1 O8 143.60(5) . .
O2 Nd1 O8 78.02(5) . .
O11 Nd1 O8 129.66(6) . .
O7 Nd1 O8 73.92(5) . .
O3 Nd1 O4 114.66(5) . 2_756
O2 Nd1 O4 145.99(6) . 2_756
O11 Nd1 O4 77.43(6) . 2_756
O7 Nd1 O4 79.50(6) . 2_756
O8 Nd1 O4 75.23(5) . 2_756
O3 Nd1 O9 83.42(5) . 2_656
O2 Nd1 O9 69.66(6) . 2_656
O11 Nd1 O9 68.72(6) . 2_656
O7 Nd1 O9 139.88(6) . 2_656
O8 Nd1 O9 111.65(5) . 2_656
O4 Nd1 O9 140.58(6) 2_756 2_656
O3 Nd1 O8 134.19(5) . 2_656
O2 Nd1 O8 81.95(5) . 2_656
O11 Nd1 O8 81.80(5) . 2_656
O7 Nd1 O8 136.57(5) . 2_656
O8 Nd1 O8 66.34(6) . 2_656
O4 Nd1 O8 105.65(5) 2_756 2_656
O9 Nd1 O8 51.05(5) 2_656 2_656
O3 Nd1 O3 64.98(6) . 2_756
O2 Nd1 O3 134.53(5) . 2_756
O11 Nd1 O3 66.53(5) . 2_756
O7 Nd1 O3 73.27(5) . 2_756
O8 Nd1 O3 120.03(5) . 2_756
O4 Nd1 O3 50.39(5) 2_756 2_756
O9 Nd1 O3 125.78(5) 2_656 2_756
O8 Nd1 O3 142.87(5) 2_656 2_756
O3 Nd1 C21 108.13(6) . 2_656
O2 Nd1 C21 73.43(6) . 2_656
O11 Nd1 C21 74.30(6) . 2_656
O7 Nd1 C21 144.98(6) . 2_656
O8 Nd1 C21 89.19(6) . 2_656
O4 Nd1 C21 126.25(6) 2_756 2_656
O9 Nd1 C21 24.91(6) 2_656 2_656
O8 Nd1 C21 26.16(6) 2_656 2_656
O3 Nd1 C21 140.43(5) 2_756 2_656
O3 Nd1 C8 90.03(6) . 2_756
O2 Nd1 C8 146.55(6) . 2_756
O11 Nd1 C8 71.52(6) . 2_756
O7 Nd1 C8 73.66(6) . 2_756
O8 Nd1 C8 96.81(6) . 2_756
O4 Nd1 C8 24.79(6) 2_756 2_756
O9 Nd1 C8 140.00(6) 2_656 2_756
O8 Nd1 C8 126.64(6) 2_656 2_756
O3 Nd1 C8 25.67(5) 2_756 2_756
C21 Nd1 C8 139.95(6) 2_656 2_756
O1 Zn1 O6 120.25(7) . .
O1 Zn1 N1 107.91(8) . 2_666
O6 Zn1 N1 105.78(8) . 2_666
O1 Zn1 Cl1 105.82(6) . .
O6 Zn1 Cl1 111.16(6) . .
N1 Zn1 Cl1 104.90(7) 2_666 .
C7 O1 Zn1 116.70(16) . .
C7 O2 Nd1 119.36(14) . .
C8 O3 Nd1 150.54(14) . .
C8 O3 Nd1 91.43(13) . 2_756
Nd1 O3 Nd1 115.02(6) . 2_756
C8 O4 Nd1 97.19(14) . 2_756
C10 O5 C1 119.0(2) . .
C20 O6 Zn1 126.30(15) . .
C20 O7 Nd1 121.66(13) . .
C21 O8 Nd1 139.54(14) . .
C21 O8 Nd1 93.24(13) . 2_656
Nd1 O8 Nd1 113.66(6) . 2_656
C21 O9 Nd1 94.91(14) . 2_656
C14 O10 C23 116.8(2) . .
Nd1 O11 H1W 132.7 . .
Nd1 O11 H2W 115.3 . .
H1W O11 H2W 104.8 . .
C13 N1 C9 118.7(2) . .
C13 N1 Zn1 124.29(18) . 2_666
C9 N1 Zn1 116.93(18) . 2_666
C26 N2 C22 117.2(2) . .
C6 C1 C2 121.8(2) . .
C6 C1 O5 119.0(2) . .
C2 C1 O5 118.9(2) . .
C1 C2 C3 118.0(2) . .
C1 C2 C7 118.7(2) . .
C3 C2 C7 123.1(2) . .
C4 C3 C2 120.2(2) . .
C4 C3 C8 119.1(2) . .
C2 C3 C8 120.6(2) . .
C5 C4 C3 120.6(2) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 119.6(2) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C1 C6 C5 119.7(2) . .
C1 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
O2 C7 O1 124.2(2) . .
O2 C7 C2 120.8(2) . .
O1 C7 C2 115.0(2) . .
O4 C8 O3 120.7(2) . .
O4 C8 C3 121.2(2) . .
O3 C8 C3 118.1(2) . .
O4 C8 Nd1 58.02(12) . 2_756
O3 C8 Nd1 62.90(11) . 2_756
C3 C8 Nd1 173.42(16) . 2_756
N1 C9 C10 122.0(2) . .
N1 C9 H9 119.0 . .
C10 C9 H9 119.0 . .
C11 C10 O5 125.8(2) . .
C11 C10 C9 119.8(2) . .
O5 C10 C9 114.4(2) . .
C10 C11 C12 117.8(2) . .
C10 C11 H11 121.1 . .
C12 C11 H11 121.1 . .
C11 C12 C13 120.1(3) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
N1 C13 C12 121.6(3) . .
N1 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
O10 C14 C19 123.9(2) . .
O10 C14 C15 114.8(2) . .
C19 C14 C15 121.3(2) . .
C16 C15 C14 118.4(2) . .
C16 C15 C20 123.4(2) . .
C14 C15 C20 118.2(2) . .
C17 C16 C15 120.2(2) . .
C17 C16 C21 117.7(2) . .
C15 C16 C21 122.1(2) . .
C18 C17 C16 119.9(2) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C17 C18 C19 120.8(2) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C18 C19 C14 119.4(2) . .
C18 C19 H19 120.3 . .
C14 C19 H19 120.3 . .
O6 C20 O7 125.5(2) . .
O6 C20 C15 116.8(2) . .
O7 C20 C15 117.7(2) . .
O9 C21 O8 120.7(2) . .
O9 C21 C16 119.5(2) . .
O8 C21 C16 119.8(2) . .
O9 C21 Nd1 60.17(12) . 2_656
O8 C21 Nd1 60.60(11) . 2_656
C16 C21 Nd1 178.39(16) . 2_656
N2 C22 C23 122.3(3) . .
N2 C22 H22 118.8 . .
C23 C22 H22 118.8 . .
C22 C23 C24 120.7(2) . .
C22 C23 O10 118.3(2) . .
C24 C23 O10 121.0(2) . .
C25 C24 C23 117.0(3) . .
C25 C24 H24 121.5 . .
C23 C24 H24 121.5 . .
C24 C25 C26 119.5(3) . .
C24 C25 H25 120.2 . .
C26 C25 H25 120.2 . .
N2 C26 C25 123.2(3) . .
N2 C26 H26 118.4 . .
C25 C26 H26 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O3 2.4207(15) .
Nd1 O2 2.4527(17) .
Nd1 O11 2.4632(17) .
Nd1 O7 2.4675(16) .
Nd1 O8 2.4851(15) .
Nd1 O4 2.5305(17) 2_756
Nd1 O9 2.5543(17) 2_656
Nd1 O8 2.5597(15) 2_656
Nd1 O3 2.6357(15) 2_756
Nd1 C21 2.933(2) 2_656
Nd1 C8 2.960(2) 2_756
Zn1 O1 1.9765(17) .
Zn1 O6 1.9790(17) .
Zn1 N1 2.051(2) 2_666
Zn1 Cl1 2.2204(7) .
O1 C7 1.259(3) .
O2 C7 1.253(3) .
O3 C8 1.282(3) .
O3 Nd1 2.6357(15) 2_756
O4 C8 1.251(3) .
O4 Nd1 2.5305(17) 2_756
O5 C10 1.382(3) .
O5 C1 1.403(3) .
O6 C20 1.252(3) .
O7 C20 1.268(3) .
O8 C21 1.295(3) .
O8 Nd1 2.5597(15) 2_656
O9 C21 1.240(3) .
O9 Nd1 2.5543(17) 2_656
O10 C14 1.380(3) .
O10 C23 1.405(3) .
O11 H1W 0.8500 .
O11 H2W 0.8500 .
N1 C13 1.335(4) .
N1 C9 1.345(3) .
N1 Zn1 2.051(2) 2_666
N2 C26 1.338(4) .
N2 C22 1.335(3) .
C1 C6 1.377(4) .
C1 C2 1.395(3) .
C2 C3 1.404(3) .
C2 C7 1.519(3) .
C3 C4 1.387(3) .
C3 C8 1.494(3) .
C4 C5 1.387(4) .
C4 H4 0.9300 .
C5 C6 1.388(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 Nd1 2.960(2) 2_756
C9 C10 1.386(3) .
C9 H9 0.9300 .
C10 C11 1.377(4) .
C11 C12 1.380(4) .
C11 H11 0.9300 .
C12 C13 1.390(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C19 1.384(4) .
C14 C15 1.402(3) .
C15 C16 1.396(3) .
C15 C20 1.514(3) .
C16 C17 1.402(3) .
C16 C21 1.496(3) .
C17 C18 1.378(4) .
C17 H17 0.9300 .
C18 C19 1.384(4) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C21 Nd1 2.933(2) 2_656
C22 C23 1.374(4) .
C22 H22 0.9300 .
C23 C24 1.374(4) .
C24 C25 1.378(4) .
C24 H24 0.9300 .
C25 C26 1.376(4) .
C25 H25 0.9300 .
C26 H26 0.9300 .
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
O11 H1W N2 0.85 1.93 2.765(3) 168.2 1_556
O11 H2W O7 0.85 2.03 2.848(2) 160.4 2_756
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
O6 Zn1 O1 C7 -54.13(19) . .
N1 Zn1 O1 C7 67.16(18) 2_666 .
Cl1 Zn1 O1 C7 179.03(16) . .
O3 Nd1 O2 C7 1.45(16) . .
O11 Nd1 O2 C7 71.58(19) . .
O7 Nd1 O2 C7 -75.41(17) . .
O8 Nd1 O2 C7 -152.02(18) . .
O4 Nd1 O2 C7 -113.32(17) 2_756 .
O9 Nd1 O2 C7 89.24(17) 2_656 .
O8 Nd1 O2 C7 140.58(17) 2_656 .
O3 Nd1 O2 C7 -31.4(2) 2_756 .
C21 Nd1 O2 C7 115.23(18) 2_656 .
C8 Nd1 O2 C7 -67.8(2) 2_756 .
O2 Nd1 O3 C8 53.3(3) . .
O11 Nd1 O3 C8 -86.2(3) . .
O7 Nd1 O3 C8 129.3(3) . .
O8 Nd1 O3 C8 100.7(3) . .
O4 Nd1 O3 C8 -160.6(3) 2_756 .
O9 Nd1 O3 C8 -17.3(3) 2_656 .
O8 Nd1 O3 C8 -11.3(3) 2_656 .
O3 Nd1 O3 C8 -151.9(3) 2_756 .
C21 Nd1 O3 C8 -14.0(3) 2_656 .
C8 Nd1 O3 C8 -157.7(3) 2_756 .
O2 Nd1 O3 Nd1 -154.72(7) . 2_756
O11 Nd1 O3 Nd1 65.72(7) . 2_756
O7 Nd1 O3 Nd1 -78.72(7) . 2_756
O8 Nd1 O3 Nd1 -107.31(9) . 2_756
O4 Nd1 O3 Nd1 -8.69(9) 2_756 2_756
O9 Nd1 O3 Nd1 134.70(7) 2_656 2_756
O8 Nd1 O3 Nd1 140.65(6) 2_656 2_756
O3 Nd1 O3 Nd1 0.0 2_756 2_756
C21 Nd1 O3 Nd1 137.93(6) 2_656 2_756
C8 Nd1 O3 Nd1 -5.75(7) 2_756 2_756
O1 Zn1 O6 C20 -9.0(2) . .
N1 Zn1 O6 C20 -131.32(19) 2_666 .
Cl1 Zn1 O6 C20 115.35(18) . .
O3 Nd1 O7 C20 -158.34(18) . .
O2 Nd1 O7 C20 -77.58(17) . .
O11 Nd1 O7 C20 137.86(17) . .
O8 Nd1 O7 C20 4.47(17) . .
O4 Nd1 O7 C20 81.97(17) 2_756 .
O9 Nd1 O7 C20 -100.24(18) 2_656 .
O8 Nd1 O7 C20 -19.8(2) 2_656 .
O3 Nd1 O7 C20 133.55(18) 2_756 .
C21 Nd1 O7 C20 -59.6(2) 2_656 .
C8 Nd1 O7 C20 106.76(18) 2_756 .
O3 Nd1 O8 C21 99.0(2) . .
O2 Nd1 O8 C21 146.1(2) . .
O11 Nd1 O8 C21 -71.9(2) . .
O7 Nd1 O8 C21 70.4(2) . .
O4 Nd1 O8 C21 -12.7(2) 2_756 .
O9 Nd1 O8 C21 -151.7(2) 2_656 .
O8 Nd1 O8 C21 -127.5(3) 2_656 .
O3 Nd1 O8 C21 11.3(2) 2_756 .
C21 Nd1 O8 C21 -140.7(2) 2_656 .
C8 Nd1 O8 C21 -0.4(2) 2_756 .
O3 Nd1 O8 Nd1 -133.48(7) . 2_656
O2 Nd1 O8 Nd1 -86.37(7) . 2_656
O11 Nd1 O8 Nd1 55.56(10) . 2_656
O7 Nd1 O8 Nd1 -162.07(8) . 2_656
O4 Nd1 O8 Nd1 114.84(8) 2_756 2_656
O9 Nd1 O8 Nd1 -24.17(8) 2_656 2_656
O8 Nd1 O8 Nd1 0.0 2_656 2_656
O3 Nd1 O8 Nd1 138.77(6) 2_756 2_656
C21 Nd1 O8 Nd1 -13.14(7) 2_656 2_656
C8 Nd1 O8 Nd1 127.15(7) 2_756 2_656
C10 O5 C1 C6 92.6(3) . .
C10 O5 C1 C2 -93.1(3) . .
C6 C1 C2 C3 -2.6(4) . .
O5 C1 C2 C3 -176.7(2) . .
C6 C1 C2 C7 -177.9(2) . .
O5 C1 C2 C7 8.0(3) . .
C1 C2 C3 C4 0.2(4) . .
C7 C2 C3 C4 175.3(2) . .
C1 C2 C3 C8 176.1(2) . .
C7 C2 C3 C8 -8.8(4) . .
C2 C3 C4 C5 2.4(4) . .
C8 C3 C4 C5 -173.5(2) . .
C3 C4 C5 C6 -2.7(4) . .
C2 C1 C6 C5 2.4(4) . .
O5 C1 C6 C5 176.4(2) . .
C4 C5 C6 C1 0.4(4) . .
Nd1 O2 C7 O1 107.1(2) . .
Nd1 O2 C7 C2 -74.8(2) . .
Zn1 O1 C7 O2 9.6(3) . .
Zn1 O1 C7 C2 -168.53(14) . .
C1 C2 C7 O2 -85.2(3) . .
C3 C2 C7 O2 99.7(3) . .
C1 C2 C7 O1 93.0(3) . .
C3 C2 C7 O1 -82.1(3) . .
Nd1 O4 C8 O3 -5.9(2) 2_756 .
Nd1 O4 C8 C3 172.33(18) 2_756 .
Nd1 O3 C8 O4 160.4(2) . .
Nd1 O3 C8 O4 5.6(2) 2_756 .
Nd1 O3 C8 C3 -17.9(4) . .
Nd1 O3 C8 C3 -172.66(18) 2_756 .
Nd1 O3 C8 Nd1 154.8(3) . 2_756
C4 C3 C8 O4 -35.8(3) . .
C2 C3 C8 O4 148.3(2) . .
C4 C3 C8 O3 142.5(2) . .
C2 C3 C8 O3 -33.4(3) . .
C4 C3 C8 Nd1 45.4(15) . 2_756
C2 C3 C8 Nd1 -130.6(13) . 2_756
C13 N1 C9 C10 1.0(4) . .
Zn1 N1 C9 C10 -175.6(2) 2_666 .
C1 O5 C10 C11 21.4(4) . .
C1 O5 C10 C9 -160.5(2) . .
N1 C9 C10 C11 0.3(4) . .
N1 C9 C10 O5 -177.9(2) . .
O5 C10 C11 C12 177.0(3) . .
C9 C10 C11 C12 -1.0(4) . .
C10 C11 C12 C13 0.4(4) . .
C9 N1 C13 C12 -1.5(4) . .
Zn1 N1 C13 C12 174.8(2) 2_666 .
C11 C12 C13 N1 0.8(5) . .
C23 O10 C14 C19 -15.8(4) . .
C23 O10 C14 C15 166.0(2) . .
O10 C14 C15 C16 178.5(2) . .
C19 C14 C15 C16 0.2(4) . .
O10 C14 C15 C20 -0.6(3) . .
C19 C14 C15 C20 -178.8(2) . .
C14 C15 C16 C17 1.3(3) . .
C20 C15 C16 C17 -179.7(2) . .
C14 C15 C16 C21 -176.5(2) . .
C20 C15 C16 C21 2.5(3) . .
C15 C16 C17 C18 -1.2(4) . .
C21 C16 C17 C18 176.7(2) . .
C16 C17 C18 C19 -0.3(4) . .
C17 C18 C19 C14 1.8(4) . .
O10 C14 C19 C18 -179.8(2) . .
C15 C14 C19 C18 -1.8(4) . .
Zn1 O6 C20 O7 -1.8(3) . .
Zn1 O6 C20 C15 179.08(15) . .
Nd1 O7 C20 O6 99.9(2) . .
Nd1 O7 C20 C15 -81.0(2) . .
C16 C15 C20 O6 -91.5(3) . .
C14 C15 C20 O6 87.5(3) . .
C16 C15 C20 O7 89.3(3) . .
C14 C15 C20 O7 -91.7(3) . .
Nd1 O9 C21 O8 -3.2(2) 2_656 .
Nd1 O9 C21 C16 178.17(18) 2_656 .
Nd1 O8 C21 O9 136.5(2) . .
Nd1 O8 C21 O9 3.2(2) 2_656 .
Nd1 O8 C21 C16 -44.9(3) . .
Nd1 O8 C21 C16 -178.19(18) 2_656 .
Nd1 O8 C21 Nd1 133.3(2) . 2_656
C17 C16 C21 O9 -26.4(3) . .
C15 C16 C21 O9 151.5(2) . .
C17 C16 C21 O8 155.0(2) . .
C15 C16 C21 O8 -27.1(3) . .
C17 C16 C21 Nd1 53(6) . 2_656
C15 C16 C21 Nd1 -129(6) . 2_656
C26 N2 C22 C23 0.1(4) . .
N2 C22 C23 C24 1.0(4) . .
N2 C22 C23 O10 178.1(2) . .
C14 O10 C23 C22 108.5(3) . .
C14 O10 C23 C24 -74.4(3) . .
C22 C23 C24 C25 -2.3(4) . .
O10 C23 C24 C25 -179.3(3) . .
C23 C24 C25 C26 2.5(5) . .
C22 N2 C26 C25 0.1(5) . .
C24 C25 C26 N2 -1.5(5) . .
