#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:42:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179932 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/27/7022782.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_7022782
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 O11 Pr Zn'
_chemical_formula_weight         774.14
_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                107.6690(10)
_cell_angle_beta                 104.5520(10)
_cell_angle_gamma                92.6520(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5153(8)
_cell_length_b                   12.8224(12)
_cell_length_c                   13.4358(13)
_cell_measurement_reflns_used    6836
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.58
_cell_volume                     1341.0(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 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0238
_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            9626
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.855
_exptl_absorpt_correction_T_max  0.7078
_exptl_absorpt_correction_T_min  0.5355
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4839
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0187
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0191P)²+0.8925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0436
_refine_ls_wR_factor_ref         0.0446
_reflns_number_gt                4548
_reflns_number_total             4839
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33002h.txt
_cod_data_source_block           Pr
_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               7022782
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
Pr1 Pr 0.246196(15) 0.489435(10) -0.010746(10) 0.01666(5) Uani 1 1 d .
Zn1 Zn 0.32330(4) 0.21975(2) 0.15973(2) 0.02546(7) Uani 1 1 d .
Cl1 Cl 0.22931(9) 0.12800(6) 0.25352(6) 0.03881(17) Uani 1 1 d .
O1 O 0.2658(2) 0.06118(15) -0.21223(17) 0.0364(5) Uani 1 1 d .
O2 O 0.1525(2) 0.18347(15) 0.01920(14) 0.0300(4) Uani 1 1 d .
O3 O 0.3000(2) 0.29852(14) -0.02777(14) 0.0266(4) Uani 1 1 d .
O4 O -0.02596(19) 0.38879(13) -0.05563(13) 0.0210(4) Uani 1 1 d .
O5 O -0.2836(2) 0.31269(14) -0.11648(15) 0.0284(4) Uani 1 1 d .
O6 O 0.2600(2) 0.54698(16) 0.41837(15) 0.0387(5) Uani 1 1 d .
O7 O 0.4056(2) 0.37559(14) 0.24945(14) 0.0297(4) Uani 1 1 d .
O8 O 0.2217(2) 0.45706(14) 0.15830(13) 0.0228(4) Uani 1 1 d .
O9 O 0.53043(19) 0.51863(14) 0.11071(13) 0.0225(4) Uani 1 1 d .
O10 O 0.7677(2) 0.61907(15) 0.20848(14) 0.0289(4) Uani 1 1 d .
O11 O 0.1185(2) 0.58885(16) -0.13561(14) 0.0328(4) Uani 1 1 d .
H1W H 0.1278 0.5785 -0.1993 0.049 Uiso 1 1 d R
H2W H 0.0149 0.5853 -0.1547 0.049 Uiso 1 1 d R
N1 N 0.4735(3) -0.14970(18) -0.13134(19) 0.0304(5) Uani 1 1 d .
N2 N 0.1385(3) 0.6075(2) 0.66796(18) 0.0377(6) Uani 1 1 d .
C1 C 0.1092(3) 0.0923(2) -0.2389(2) 0.0278(6) Uani 1 1 d .
C2 C 0.0662(3) 0.17827(19) -0.16244(19) 0.0220(5) Uani 1 1 d .
C3 C -0.0881(3) 0.21174(19) -0.1928(2) 0.0231(5) Uani 1 1 d .
C4 C -0.1927(3) 0.1607(2) -0.2960(2) 0.0298(6) Uani 1 1 d .
H4 H -0.2960 0.1820 -0.3148 0.036 Uiso 1 1 calc R
C5 C -0.1440(4) 0.0778(2) -0.3713(2) 0.0374(7) Uani 1 1 d .
H5 H -0.2133 0.0452 -0.4412 0.045 Uiso 1 1 calc R
C6 C 0.0076(4) 0.0436(2) -0.3426(2) 0.0368(7) Uani 1 1 d .
H6 H 0.0407 -0.0119 -0.3929 0.044 Uiso 1 1 calc R
C7 C 0.1826(3) 0.2258(2) -0.0488(2) 0.0232(5) Uani 1 1 d .
C8 C -0.1378(3) 0.30840(19) -0.11730(19) 0.0200(5) Uani 1 1 d .
C9 C 0.4299(3) -0.0697(2) -0.1742(2) 0.0297(6) Uani 1 1 d .
H9 H 0.4968 -0.0455 -0.2101 0.036 Uiso 1 1 calc R
C10 C 0.2890(3) -0.0221(2) -0.1669(2) 0.0282(6) Uani 1 1 d .
C11 C 0.1884(3) -0.0569(2) -0.1138(2) 0.0316(6) Uani 1 1 d .
H11 H 0.0920 -0.0270 -0.1090 0.038 Uiso 1 1 calc R
C12 C 0.2357(4) -0.1373(2) -0.0682(3) 0.0400(7) Uani 1 1 d .
H12 H 0.1716 -0.1615 -0.0306 0.048 Uiso 1 1 calc R
C13 C 0.3775(4) -0.1822(2) -0.0779(3) 0.0370(7) Uani 1 1 d .
H13 H 0.4075 -0.2364 -0.0465 0.044 Uiso 1 1 calc R
C14 C 0.3822(3) 0.6135(2) 0.4071(2) 0.0263(6) Uani 1 1 d .
C15 C 0.4312(3) 0.57042(19) 0.31226(19) 0.0205(5) Uani 1 1 d .
C16 C 0.5577(3) 0.6315(2) 0.29639(19) 0.0211(5) Uani 1 1 d .
C17 C 0.6300(3) 0.7342(2) 0.3725(2) 0.0282(6) Uani 1 1 d .
H17 H 0.7128 0.7751 0.3610 0.034 Uiso 1 1 calc R
C18 C 0.5779(3) 0.7751(2) 0.4651(2) 0.0335(6) Uani 1 1 d .
H18 H 0.6250 0.8440 0.5152 0.040 Uiso 1 1 calc R
C19 C 0.4566(3) 0.7142(2) 0.4835(2) 0.0334(6) Uani 1 1 d .
H19 H 0.4250 0.7409 0.5471 0.040 Uiso 1 1 calc R
C20 C 0.3468(3) 0.4587(2) 0.23352(19) 0.0204(5) Uani 1 1 d .
C21 C 0.6236(3) 0.58825(19) 0.20051(19) 0.0214(5) Uani 1 1 d .
C22 C 0.2113(3) 0.5672(2) 0.5898(2) 0.0329(6) Uani 1 1 d .
H22 H 0.2857 0.5175 0.5986 0.040 Uiso 1 1 calc R
C23 C 0.1812(3) 0.5960(2) 0.4972(2) 0.0291(6) Uani 1 1 d .
C24 C 0.0700(4) 0.6676(3) 0.4808(2) 0.0413(7) Uani 1 1 d .
H24 H 0.0454 0.6862 0.4174 0.050 Uiso 1 1 calc R
C25 C -0.0039(4) 0.7107(3) 0.5621(3) 0.0458(8) Uani 1 1 d .
H25 H -0.0776 0.7612 0.5555 0.055 Uiso 1 1 calc R
C26 C 0.0326(4) 0.6784(3) 0.6525(2) 0.0394(7) Uani 1 1 d .
H26 H -0.0193 0.7074 0.7061 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'
Cl Cl 0.1484 0.1585 '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'
Pr Pr -0.2180 2.8214 '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
O4 Pr1 O3 76.54(5) . .
O4 Pr1 O11 86.28(6) . .
O3 Pr1 O11 136.32(6) . .
O4 Pr1 O8 73.75(5) . .
O3 Pr1 O8 73.18(6) . .
O11 Pr1 O8 139.50(6) . .
O4 Pr1 O9 143.13(5) . .
O3 Pr1 O9 78.02(6) . .
O11 Pr1 O9 130.24(6) . .
O8 Pr1 O9 73.61(5) . .
O4 Pr1 O5 114.51(5) . 2_565
O3 Pr1 O5 146.10(6) . 2_565
O11 Pr1 O5 77.53(6) . 2_565
O8 Pr1 O5 79.37(6) . 2_565
O9 Pr1 O5 75.41(5) . 2_565
O4 Pr1 O10 83.99(5) . 2_665
O3 Pr1 O10 69.61(6) . 2_665
O11 Pr1 O10 68.86(6) . 2_665
O8 Pr1 O10 140.10(6) . 2_665
O9 Pr1 O10 111.33(5) . 2_665
O5 Pr1 O10 140.51(6) 2_565 2_665
O4 Pr1 O9 134.41(5) . 2_665
O3 Pr1 O9 81.78(5) . 2_665
O11 Pr1 O9 82.45(6) . 2_665
O8 Pr1 O9 136.15(5) . 2_665
O9 Pr1 O9 66.23(6) . 2_665
O5 Pr1 O9 105.87(5) 2_565 2_665
O10 Pr1 O9 50.76(5) 2_665 2_665
O4 Pr1 O4 65.11(6) . 2_565
O3 Pr1 O4 134.45(5) . 2_565
O11 Pr1 O4 66.41(5) . 2_565
O8 Pr1 O4 73.23(5) . 2_565
O9 Pr1 O4 119.86(5) . 2_565
O5 Pr1 O4 50.13(5) 2_565 2_565
O10 Pr1 O4 126.26(5) 2_665 2_565
O9 Pr1 O4 143.17(5) 2_665 2_565
O4 Pr1 C21 108.52(6) . 2_665
O3 Pr1 C21 73.45(6) . 2_665
O11 Pr1 C21 74.62(6) . 2_665
O8 Pr1 C21 144.88(6) . 2_665
O9 Pr1 C21 89.05(6) . 2_665
O5 Pr1 C21 126.24(6) 2_565 2_665
O10 Pr1 C21 24.74(6) 2_665 2_665
O9 Pr1 C21 26.03(6) 2_665 2_665
O4 Pr1 C21 140.70(6) 2_565 2_665
O4 Pr1 C8 90.08(6) . 2_565
O3 Pr1 C8 146.56(6) . 2_565
O11 Pr1 C8 71.46(6) . 2_565
O8 Pr1 C8 73.68(6) . 2_565
O9 Pr1 C8 96.80(6) . 2_565
O5 Pr1 C8 24.60(6) 2_565 2_565
O10 Pr1 C8 140.15(6) 2_665 2_565
O9 Pr1 C8 126.76(6) 2_665 2_565
O4 Pr1 C8 25.58(6) 2_565 2_565
C21 Pr1 C8 139.91(6) 2_665 2_565
O7 Zn1 O2 120.45(7) . .
O7 Zn1 N1 105.26(8) . 2_655
O2 Zn1 N1 108.49(8) . 2_655
O7 Zn1 Cl1 111.25(6) . .
O2 Zn1 Cl1 105.56(6) . .
N1 Zn1 Cl1 104.81(7) 2_655 .
C10 O1 C1 119.3(2) . .
C7 O2 Zn1 116.33(16) . .
C7 O3 Pr1 119.09(15) . .
C8 O4 Pr1 150.60(15) . .
C8 O4 Pr1 91.49(13) . 2_565
Pr1 O4 Pr1 114.89(6) . 2_565
C8 O5 Pr1 97.29(14) . 2_565
C14 O6 C23 116.9(2) . .
C20 O7 Zn1 126.14(16) . .
C20 O8 Pr1 121.53(14) . .
C21 O9 Pr1 139.81(15) . .
C21 O9 Pr1 93.20(13) . 2_665
Pr1 O9 Pr1 113.77(6) . 2_665
C21 O10 Pr1 95.19(14) . 2_665
Pr1 O11 H1W 125.9 . .
Pr1 O11 H2W 118.9 . .
H1W O11 H2W 94.5 . .
C13 N1 C9 118.2(2) . .
C13 N1 Zn1 124.41(18) . 2_655
C9 N1 Zn1 117.28(18) . 2_655
C26 N2 C22 116.9(2) . .
C6 C1 C2 121.9(2) . .
C6 C1 O1 119.1(2) . .
C2 C1 O1 118.8(2) . .
C1 C2 C3 117.8(2) . .
C1 C2 C7 118.8(2) . .
C3 C2 C7 123.2(2) . .
C4 C3 C2 120.4(2) . .
C4 C3 C8 118.8(2) . .
C2 C3 C8 120.6(2) . .
C3 C4 C5 120.3(3) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C6 C5 C4 120.0(3) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C1 C6 C5 119.5(2) . .
C1 C6 H6 120.3 . .
C5 C6 H6 120.3 . .
O3 C7 O2 124.4(2) . .
O3 C7 C2 121.1(2) . .
O2 C7 C2 114.5(2) . .
O5 C8 O4 120.8(2) . .
O5 C8 C3 121.4(2) . .
O4 C8 C3 117.8(2) . .
O5 C8 Pr1 58.11(12) . 2_565
O4 C8 Pr1 62.92(12) . 2_565
C3 C8 Pr1 173.24(16) . 2_565
N1 C9 C10 122.3(2) . .
N1 C9 H9 118.9 . .
C10 C9 H9 118.9 . .
C11 C10 O1 125.7(2) . .
C11 C10 C9 119.6(2) . .
O1 C10 C9 114.6(2) . .
C12 C11 C10 117.7(2) . .
C12 C11 H11 121.1 . .
C10 C11 H11 121.1 . .
C11 C12 C13 120.3(3) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
N1 C13 C12 121.8(3) . .
N1 C13 H13 119.1 . .
C12 C13 H13 119.1 . .
O6 C14 C19 123.9(2) . .
O6 C14 C15 115.1(2) . .
C19 C14 C15 121.0(2) . .
C16 C15 C14 118.5(2) . .
C16 C15 C20 123.4(2) . .
C14 C15 C20 118.0(2) . .
C17 C16 C15 120.4(2) . .
C17 C16 C21 117.9(2) . .
C15 C16 C21 121.7(2) . .
C18 C17 C16 119.8(2) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
C19 C18 C17 120.5(2) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C14 119.8(2) . .
C18 C19 H19 120.1 . .
C14 C19 H19 120.1 . .
O7 C20 O8 125.5(2) . .
O7 C20 C15 117.0(2) . .
O8 C20 C15 117.5(2) . .
O10 C21 O9 120.8(2) . .
O10 C21 C16 119.3(2) . .
O9 C21 C16 119.9(2) . .
O10 C21 Pr1 60.07(12) . 2_665
O9 C21 Pr1 60.78(12) . 2_665
C16 C21 Pr1 178.05(16) . 2_665
N2 C22 C23 122.7(3) . .
N2 C22 H22 118.6 . .
C23 C22 H22 118.6 . .
C22 C23 C24 120.2(2) . .
C22 C23 O6 118.6(2) . .
C24 C23 O6 121.2(2) . .
C23 C24 C25 117.3(3) . .
C23 C24 H24 121.3 . .
C25 C24 H24 121.3 . .
C26 C25 C24 119.2(3) . .
C26 C25 H25 120.4 . .
C24 C25 H25 120.4 . .
N2 C26 C25 123.6(3) . .
N2 C26 H26 118.2 . .
C25 C26 H26 118.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O4 2.4389(16) .
Pr1 O3 2.4641(17) .
Pr1 O11 2.4761(17) .
Pr1 O8 2.4852(16) .
Pr1 O9 2.4943(16) .
Pr1 O5 2.5456(17) 2_565
Pr1 O10 2.5673(17) 2_665
Pr1 O9 2.5788(16) 2_665
Pr1 O4 2.6489(15) 2_565
Pr1 C21 2.950(2) 2_665
Pr1 C8 2.974(2) 2_565
Zn1 O7 1.9801(17) .
Zn1 O2 1.9803(18) .
Zn1 N1 2.053(2) 2_655
Zn1 Cl1 2.2209(8) .
O1 C10 1.380(3) .
O1 C1 1.401(3) .
O2 C7 1.265(3) .
O3 C7 1.250(3) .
O4 C8 1.285(3) .
O4 Pr1 2.6489(15) 2_565
O5 C8 1.248(3) .
O5 Pr1 2.5456(17) 2_565
O6 C14 1.381(3) .
O6 C23 1.401(3) .
O7 C20 1.252(3) .
O8 C20 1.265(3) .
O9 C21 1.297(3) .
O9 Pr1 2.5788(16) 2_665
O10 C21 1.240(3) .
O10 Pr1 2.5673(17) 2_665
O11 H1W 0.8501 .
O11 H2W 0.8500 .
N1 C13 1.343(3) .
N1 C9 1.345(3) .
N1 Zn1 2.053(2) 2_655
N2 C26 1.334(4) .
N2 C22 1.335(3) .
C1 C6 1.376(4) .
C1 C2 1.394(3) .
C2 C3 1.402(3) .
C2 C7 1.518(3) .
C3 C4 1.385(3) .
C3 C8 1.499(3) .
C4 C5 1.387(4) .
C4 H4 0.9300 .
C5 C6 1.383(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C8 Pr1 2.974(2) 2_565
C9 C10 1.382(4) .
C9 H9 0.9300 .
C10 C11 1.380(4) .
C11 C12 1.379(4) .
C11 H11 0.9300 .
C12 C13 1.380(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C19 1.384(4) .
C14 C15 1.402(3) .
C15 C16 1.399(3) .
C15 C20 1.513(3) .
C16 C17 1.397(3) .
C16 C21 1.497(3) .
C17 C18 1.387(4) .
C17 H17 0.9300 .
C18 C19 1.382(4) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C21 Pr1 2.950(2) 2_665
C22 C23 1.369(4) .
C22 H22 0.9300 .
C23 C24 1.374(4) .
C24 C25 1.381(4) .
C24 H24 0.9300 .
C25 C26 1.368(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 H2W O8 0.85 2.05 2.850(2) 157.3 2_565
O11 H1W N2 0.85 1.95 2.767(3) 160.5 1_554
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
O7 Zn1 O2 C7 54.55(19) . .
N1 Zn1 O2 C7 -66.69(18) 2_655 .
Cl1 Zn1 O2 C7 -178.58(16) . .
O4 Pr1 O3 C7 -1.36(17) . .
O11 Pr1 O3 C7 -71.0(2) . .
O8 Pr1 O3 C7 75.44(17) . .
O9 Pr1 O3 C7 151.73(18) . .
O5 Pr1 O3 C7 112.75(18) 2_565 .
O10 Pr1 O3 C7 -89.88(18) 2_665 .
O9 Pr1 O3 C7 -140.96(18) 2_665 .
O4 Pr1 O3 C7 31.4(2) 2_565 .
C21 Pr1 O3 C7 -115.68(18) 2_665 .
C8 Pr1 O3 C7 67.6(2) 2_565 .
O3 Pr1 O4 C8 -53.3(3) . .
O11 Pr1 O4 C8 86.2(3) . .
O8 Pr1 O4 C8 -129.5(3) . .
O9 Pr1 O4 C8 -100.9(3) . .
O5 Pr1 O4 C8 160.7(3) 2_565 .
O10 Pr1 O4 C8 17.1(3) 2_665 .
O9 Pr1 O4 C8 10.5(3) 2_665 .
O4 Pr1 O4 C8 151.9(3) 2_565 .
C21 Pr1 O4 C8 13.8(3) 2_665 .
C8 Pr1 O4 C8 157.6(3) 2_565 .
O3 Pr1 O4 Pr1 154.80(8) . 2_565
O11 Pr1 O4 Pr1 -65.67(7) . 2_565
O8 Pr1 O4 Pr1 78.69(7) . 2_565
O9 Pr1 O4 Pr1 107.23(9) . 2_565
O5 Pr1 O4 Pr1 8.82(9) 2_565 2_565
O10 Pr1 O4 Pr1 -134.78(7) 2_665 2_565
O9 Pr1 O4 Pr1 -141.32(6) 2_665 2_565
O4 Pr1 O4 Pr1 0.0 2_565 2_565
C21 Pr1 O4 Pr1 -138.09(7) 2_665 2_565
C8 Pr1 O4 Pr1 5.74(7) 2_565 2_565
O2 Zn1 O7 C20 9.2(2) . .
N1 Zn1 O7 C20 132.0(2) 2_655 .
Cl1 Zn1 O7 C20 -115.02(19) . .
O4 Pr1 O8 C20 158.00(18) . .
O3 Pr1 O8 C20 77.50(17) . .
O11 Pr1 O8 C20 -138.46(17) . .
O9 Pr1 O8 C20 -4.62(17) . .
O5 Pr1 O8 C20 -82.38(17) 2_565 .
O10 Pr1 O8 C20 99.24(18) 2_665 .
O9 Pr1 O8 C20 19.5(2) 2_665 .
O4 Pr1 O8 C20 -133.72(18) 2_565 .
C21 Pr1 O8 C20 58.8(2) 2_665 .
C8 Pr1 O8 C20 -107.02(18) 2_565 .
O4 Pr1 O9 C21 -98.6(2) . .
O3 Pr1 O9 C21 -145.8(2) . .
O11 Pr1 O9 C21 72.1(2) . .
O8 Pr1 O9 C21 -70.0(2) . .
O5 Pr1 O9 C21 12.9(2) 2_565 .
O10 Pr1 O9 C21 151.9(2) 2_665 .
O9 Pr1 O9 C21 128.0(3) 2_665 .
O4 Pr1 O9 C21 -11.1(2) 2_565 .
C21 Pr1 O9 C21 140.9(2) 2_665 .
C8 Pr1 O9 C21 0.7(2) 2_565 .
O4 Pr1 O9 Pr1 133.40(7) . 2_665
O3 Pr1 O9 Pr1 86.20(7) . 2_665
O11 Pr1 O9 Pr1 -55.89(10) . 2_665
O8 Pr1 O9 Pr1 161.96(8) . 2_665
O5 Pr1 O9 Pr1 -115.05(8) 2_565 2_665
O10 Pr1 O9 Pr1 23.92(8) 2_665 2_665
O9 Pr1 O9 Pr1 0.0 2_665 2_665
O4 Pr1 O9 Pr1 -139.08(6) 2_565 2_665
C21 Pr1 O9 Pr1 12.92(7) 2_665 2_665
C8 Pr1 O9 Pr1 -127.31(7) 2_565 2_665
C10 O1 C1 C6 -92.9(3) . .
C10 O1 C1 C2 92.5(3) . .
C6 C1 C2 C3 2.4(4) . .
O1 C1 C2 C3 176.9(2) . .
C6 C1 C2 C7 178.4(2) . .
O1 C1 C2 C7 -7.2(3) . .
C1 C2 C3 C4 -0.3(4) . .
C7 C2 C3 C4 -176.1(2) . .
C1 C2 C3 C8 -176.0(2) . .
C7 C2 C3 C8 8.2(4) . .
C2 C3 C4 C5 -1.8(4) . .
C8 C3 C4 C5 173.9(2) . .
C3 C4 C5 C6 1.9(4) . .
C2 C1 C6 C5 -2.2(4) . .
O1 C1 C6 C5 -176.7(2) . .
C4 C5 C6 C1 0.0(4) . .
Pr1 O3 C7 O2 -106.8(2) . .
Pr1 O3 C7 C2 75.3(2) . .
Zn1 O2 C7 O3 -9.8(3) . .
Zn1 O2 C7 C2 168.26(15) . .
C1 C2 C7 O3 84.1(3) . .
C3 C2 C7 O3 -100.2(3) . .
C1 C2 C7 O2 -94.1(3) . .
C3 C2 C7 O2 81.7(3) . .
Pr1 O5 C8 O4 5.6(2) 2_565 .
Pr1 O5 C8 C3 -172.08(19) 2_565 .
Pr1 O4 C8 O5 -160.0(2) . .
Pr1 O4 C8 O5 -5.3(2) 2_565 .
Pr1 O4 C8 C3 17.8(4) . .
Pr1 O4 C8 C3 172.42(18) 2_565 .
Pr1 O4 C8 Pr1 -154.7(3) . 2_565
C4 C3 C8 O5 35.8(3) . .
C2 C3 C8 O5 -148.5(2) . .
C4 C3 C8 O4 -141.9(2) . .
C2 C3 C8 O4 33.8(3) . .
C4 C3 C8 Pr1 -47.7(15) . 2_565
C2 C3 C8 Pr1 128.0(13) . 2_565
C13 N1 C9 C10 -1.3(4) . .
Zn1 N1 C9 C10 175.4(2) 2_655 .
C1 O1 C10 C11 -21.2(4) . .
C1 O1 C10 C9 161.0(2) . .
N1 C9 C10 C11 0.1(4) . .
N1 C9 C10 O1 178.0(2) . .
O1 C10 C11 C12 -176.5(3) . .
C9 C10 C11 C12 1.2(4) . .
C10 C11 C12 C13 -1.3(4) . .
C9 N1 C13 C12 1.3(4) . .
Zn1 N1 C13 C12 -175.2(2) 2_655 .
C11 C12 C13 N1 0.0(5) . .
C23 O6 C14 C19 16.1(4) . .
C23 O6 C14 C15 -165.7(2) . .
O6 C14 C15 C16 -178.2(2) . .
C19 C14 C15 C16 0.1(4) . .
O6 C14 C15 C20 0.4(3) . .
C19 C14 C15 C20 178.7(2) . .
C14 C15 C16 C17 -1.5(4) . .
C20 C15 C16 C17 179.9(2) . .
C14 C15 C16 C21 176.4(2) . .
C20 C15 C16 C21 -2.2(4) . .
C15 C16 C17 C18 1.0(4) . .
C21 C16 C17 C18 -177.0(2) . .
C16 C17 C18 C19 0.9(4) . .
C17 C18 C19 C14 -2.4(4) . .
O6 C14 C19 C18 180.0(3) . .
C15 C14 C19 C18 1.9(4) . .
Zn1 O7 C20 O8 1.7(3) . .
Zn1 O7 C20 C15 -179.37(15) . .
Pr1 O8 C20 O7 -99.7(2) . .
Pr1 O8 C20 C15 81.3(2) . .
C16 C15 C20 O7 90.8(3) . .
C14 C15 C20 O7 -87.7(3) . .
C16 C15 C20 O8 -90.1(3) . .
C14 C15 C20 O8 91.3(3) . .
Pr1 O10 C21 O9 2.7(2) 2_665 .
Pr1 O10 C21 C16 -177.88(19) 2_665 .
Pr1 O9 C21 O10 -136.4(2) . .
Pr1 O9 C21 O10 -2.7(2) 2_665 .
Pr1 O9 C21 C16 44.2(3) . .
Pr1 O9 C21 C16 177.91(19) 2_665 .
Pr1 O9 C21 Pr1 -133.8(2) . 2_665
C17 C16 C21 O10 26.1(3) . .
C15 C16 C21 O10 -151.9(2) . .
C17 C16 C21 O9 -154.4(2) . .
C15 C16 C21 O9 27.6(3) . .
C17 C16 C21 Pr1 -44(5) . 2_665
C15 C16 C21 Pr1 138(5) . 2_665
C26 N2 C22 C23 0.0(4) . .
N2 C22 C23 C24 -1.2(5) . .
N2 C22 C23 O6 -178.2(3) . .
C14 O6 C23 C22 -108.6(3) . .
C14 O6 C23 C24 74.4(4) . .
C22 C23 C24 C25 2.1(5) . .
O6 C23 C24 C25 179.0(3) . .
C23 C24 C25 C26 -1.9(5) . .
C22 N2 C26 C25 0.1(5) . .
C24 C25 C26 N2 0.9(5) . .
