#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318700.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_4318700
loop_
_publ_author_name
'Raquel Rodríguez-Cortiñas'
'Fernando Avecilla'
'Carlos Platas-Iglesias'
'Daniel Imbert'
'Jean-Claude G. Bünzli'
'Andrés de Blas'
'Teresa Rodríguez-Blas'
_publ_section_title
;
 Structural and Photophysical Properties of Heterobimetallic 4f-Zn
 Iminophenolate Cryptates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5336
_journal_page_last               5349
_journal_paper_doi               10.1021/ic025587s
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C40 H54 N10 O12.5 Pr Zn'
_chemical_formula_weight         1081.21
_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                 105.213(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.435(11)
_cell_length_b                   10.974(4)
_cell_length_c                   25.842(8)
_cell_measurement_temperature    150(2)
_cell_volume                     9150(5)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_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  0.0868
_diffrn_reflns_av_sigmaI/netI    0.1639
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            27167
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    1.649
_exptl_absorpt_correction_T_max  0.9076
_exptl_absorpt_correction_T_min  0.6290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            Pale_Yellow
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4424
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.021
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     580
_refine_ls_number_reflns         11051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.1282
_refine_ls_R_factor_gt           0.0577
_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)+(0.0836P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1774
_reflns_number_gt                5914
_reflns_number_total             11051
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025587s_s1_1.cif
_cod_data_source_block           for_compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C40 H54 N10 O12.50 Pr Zn'
_cod_database_code               4318700
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.140214(12) 0.16665(4) 0.440080(15) 0.01703(12) Uani 1 1 d . . .
Zn1 Zn 0.14835(3) 0.06102(8) 0.56301(3) 0.0203(2) Uani 1 1 d . . .
N1 N 0.14483(19) -0.0258(6) 0.6752(2) 0.0250(15) Uani 1 1 d . . .
O1 O 0.00282(17) 0.1527(7) 0.3869(3) 0.0528(19) Uani 1 1 d . . .
C1 C 0.1610(2) -0.1489(7) 0.6738(3) 0.0257(18) Uani 1 1 d . . .
H1A H 0.1460 -0.2054 0.6920 0.031 Uiso 1 1 calc R . .
H1B H 0.1907 -0.1504 0.6934 0.031 Uiso 1 1 calc R . .
O2 O 0.0552(2) 0.2016(6) 0.4535(2) 0.0463(17) Uani 1 1 d . . .
N2 N 0.08759(19) 0.0330(6) 0.5731(2) 0.0237(15) Uani 1 1 d . . .
C2 C 0.1561(2) -0.1918(7) 0.6159(3) 0.0260(18) Uani 1 1 d . . .
H2A H 0.1679 -0.2746 0.6163 0.031 Uiso 1 1 calc R . .
H2B H 0.1262 -0.1963 0.5971 0.031 Uiso 1 1 calc R . .
N3 N 0.17349(18) 0.1790(6) 0.6278(2) 0.0216(14) Uani 1 1 d . . .
O3 O 0.06519(15) 0.1529(5) 0.3777(2) 0.0306(13) Uani 1 1 d . . .
C3 C 0.2107(2) -0.1474(7) 0.5785(3) 0.0201(16) Uani 1 1 d . . .
H3 H 0.2200 -0.2238 0.5945 0.024 Uiso 1 1 calc R . .
O4 O 0.13981(15) 0.2524(5) 0.52210(18) 0.0207(11) Uani 1 1 d . . .
N4 N 0.17700(19) -0.1084(6) 0.5867(2) 0.0226(14) Uani 1 1 d . . .
C4 C 0.2368(2) -0.0928(7) 0.5486(3) 0.0214(17) Uani 1 1 d . . .
O5 O 0.19348(14) 0.0803(4) 0.51532(18) 0.0192(11) Uani 1 1 d . . .
N5 N 0.21278(18) 0.2067(6) 0.4293(2) 0.0191(14) Uani 1 1 d . . .
C5 C 0.2728(2) -0.1560(7) 0.5503(3) 0.0231(17) Uani 1 1 d . . .
H5 H 0.2785 -0.2270 0.5720 0.028 Uiso 1 1 calc R . .
O6 O 0.11772(14) 0.0008(4) 0.48181(18) 0.0184(11) Uani 1 1 d . . .
N6 N 0.11846(19) 0.3909(6) 0.4214(2) 0.0214(14) Uani 1 1 d . . .
C6 C 0.3013(2) -0.1219(7) 0.5220(3) 0.0221(17) Uani 1 1 d . . .
N7 N 0.12913(19) -0.0166(6) 0.3765(2) 0.0244(15) Uani 1 1 d . . .
C7 C 0.2910(2) -0.0196(7) 0.4893(3) 0.0227(17) Uani 1 1 d . . .
H7 H 0.3096 0.0067 0.4694 0.027 Uiso 1 1 calc R . .
N8 N 0.14129(18) 0.2347(6) 0.3409(2) 0.0213(14) Uani 1 1 d . . .
C8 C 0.2542(2) 0.0463(7) 0.4847(3) 0.0186(16) Uani 1 1 d . . .
N9 N 0.0405(2) 0.1695(6) 0.4064(3) 0.0292(15) Uani 1 1 d . . .
C9 C 0.2267(2) 0.0146(7) 0.5167(3) 0.0180(16) Uani 1 1 d . . .
C10 C 0.3405(2) -0.1932(7) 0.5268(3) 0.031(2) Uani 1 1 d . . .
H10A H 0.3513 -0.1762 0.4957 0.047 Uiso 1 1 calc R . .
H10B H 0.3347 -0.2805 0.5281 0.047 Uiso 1 1 calc R . .
H10C H 0.3612 -0.1693 0.5597 0.047 Uiso 1 1 calc R . .
C11 C 0.2475(2) 0.1481(7) 0.4481(3) 0.0209(17) Uani 1 1 d . . .
H11 H 0.2707 0.1752 0.4365 0.025 Uiso 1 1 calc R . .
C12 C 0.2121(2) 0.3056(7) 0.3910(3) 0.0230(17) Uani 1 1 d . . .
H12A H 0.2404 0.3199 0.3873 0.028 Uiso 1 1 calc R . .
H12B H 0.2023 0.3816 0.4042 0.028 Uiso 1 1 calc R . .
C13 C 0.1833(2) 0.2710(8) 0.3367(3) 0.0244(18) Uani 1 1 d . . .
H13A H 0.1806 0.3412 0.3120 0.029 Uiso 1 1 calc R . .
H13B H 0.1957 0.2026 0.3213 0.029 Uiso 1 1 calc R . .
C14 C 0.1720(2) 0.0642(8) 0.7082(3) 0.0277(19) Uani 1 1 d . . .
H14A H 0.1894 0.0244 0.7407 0.033 Uiso 1 1 calc R . .
H14B H 0.1550 0.1277 0.7196 0.033 Uiso 1 1 calc R . .
C15 C 0.1995(2) 0.1230(7) 0.6768(3) 0.0270(18) Uani 1 1 d . . .
H15A H 0.2172 0.1859 0.6992 0.032 Uiso 1 1 calc R . .
H15B H 0.2178 0.0606 0.6673 0.032 Uiso 1 1 calc R . .
C16 C 0.1604(2) 0.2870(8) 0.6354(3) 0.0236(18) Uani 1 1 d . . .
H16 H 0.1704 0.3198 0.6704 0.028 Uiso 1 1 calc R . .
C17 C 0.1320(2) 0.3645(7) 0.5961(3) 0.0224(17) Uani 1 1 d . . .
C18 C 0.1135(2) 0.4624(7) 0.6164(3) 0.0247(18) Uani 1 1 d . . .
H18 H 0.1196 0.4740 0.6540 0.030 Uiso 1 1 calc R . .
C19 C 0.0866(2) 0.5427(7) 0.5825(3) 0.0255(18) Uani 1 1 d . . .
C20 C 0.0824(2) 0.5312(7) 0.5288(3) 0.0260(18) Uani 1 1 d . . .
H20 H 0.0658 0.5891 0.5054 0.031 Uiso 1 1 calc R . .
C21 C 0.1011(2) 0.4389(7) 0.5068(3) 0.0187(16) Uani 1 1 d . . .
C22 C 0.1243(2) 0.3474(6) 0.5403(3) 0.0167(15) Uani 1 1 d . . .
C23 C 0.0631(3) 0.6381(7) 0.6063(4) 0.038(2) Uani 1 1 d . . .
H23A H 0.0590 0.7116 0.5839 0.057 Uiso 1 1 calc R . .
H23B H 0.0792 0.6588 0.6427 0.057 Uiso 1 1 calc R . .
H23C H 0.0361 0.6051 0.6075 0.057 Uiso 1 1 calc R . .
C24 C 0.0990(2) 0.4520(7) 0.4494(3) 0.0227(17) Uani 1 1 d . . .
H24 H 0.0808 0.5135 0.4308 0.027 Uiso 1 1 calc R . .
C25 C 0.1169(2) 0.4358(7) 0.3672(3) 0.0276(18) Uani 1 1 d . . .
H25A H 0.1431 0.4791 0.3683 0.033 Uiso 1 1 calc R . .
H25B H 0.0940 0.4953 0.3563 0.033 Uiso 1 1 calc R . .
C26 C 0.1107(2) 0.3359(7) 0.3254(3) 0.0247(17) Uani 1 1 d . . .
H26A H 0.0823 0.3023 0.3196 0.030 Uiso 1 1 calc R . .
H26B H 0.1129 0.3715 0.2911 0.030 Uiso 1 1 calc R . .
C27 C 0.1009(2) -0.0140(7) 0.6694(3) 0.0260(18) Uani 1 1 d . . .
H27A H 0.0964 0.0161 0.7035 0.031 Uiso 1 1 calc R . .
H27B H 0.0878 -0.0954 0.6622 0.031 Uiso 1 1 calc R . .
C28 C 0.0799(2) 0.0720(7) 0.6245(3) 0.0243(17) Uani 1 1 d . . .
H28A H 0.0497 0.0730 0.6210 0.029 Uiso 1 1 calc R . .
H28B H 0.0906 0.1556 0.6333 0.029 Uiso 1 1 calc R . .
C29 C 0.0585(2) -0.0338(7) 0.5443(3) 0.0227(17) Uani 1 1 d . . .
H29 H 0.0348 -0.0442 0.5577 0.027 Uiso 1 1 calc R . .
C30 C 0.0570(2) -0.0957(7) 0.4939(3) 0.0215(17) Uani 1 1 d . . .
C31 C 0.0246(2) -0.1776(7) 0.4745(3) 0.0235(17) Uani 1 1 d . . .
H31 H 0.0050 -0.1899 0.4947 0.028 Uiso 1 1 calc R . .
C32 C 0.0199(2) -0.2409(7) 0.4276(3) 0.0273(18) Uani 1 1 d . . .
C33 C 0.0471(2) -0.2146(7) 0.3968(3) 0.0268(18) Uani 1 1 d . . .
H33 H 0.0437 -0.2555 0.3635 0.032 Uiso 1 1 calc R . .
C34 C 0.0794(2) -0.1305(7) 0.4127(3) 0.0201(16) Uani 1 1 d . . .
C35 C 0.0861(2) -0.0727(7) 0.4634(3) 0.0196(16) Uani 1 1 d . . .
C36 C -0.0136(3) -0.3353(9) 0.4108(4) 0.044(2) Uani 1 1 d . . .
H36A H -0.0023 -0.4157 0.4232 0.066 Uiso 1 1 calc R . .
H36B H -0.0237 -0.3359 0.3716 0.066 Uiso 1 1 calc R . .
H36C H -0.0364 -0.3159 0.4265 0.066 Uiso 1 1 calc R . .
C37 C 0.1036(2) -0.1038(7) 0.3742(3) 0.0234(17) Uani 1 1 d . . .
H37 H 0.0998 -0.1573 0.3444 0.028 Uiso 1 1 calc R . .
C38 C 0.1447(3) 0.0066(8) 0.3290(3) 0.0300(19) Uani 1 1 d . . .
H38A H 0.1358 -0.0597 0.3025 0.036 Uiso 1 1 calc R . .
H38B H 0.1753 0.0099 0.3396 0.036 Uiso 1 1 calc R . .
C39 C 0.1268(2) 0.1290(7) 0.3044(3) 0.0252(18) Uani 1 1 d . . .
H39A H 0.1349 0.1421 0.2706 0.030 Uiso 1 1 calc R . .
H39B H 0.0962 0.1252 0.2954 0.030 Uiso 1 1 calc R . .
O7 O 0.2538(2) 0.0741(7) 0.3056(3) 0.065(2) Uani 1 1 d . . .
O8 O 0.2890(4) 0.0872(12) 0.7965(5) 0.149(5) Uani 1 1 d . . .
O9 O 0.2486(5) 0.0888(17) 0.8456(7) 0.205(8) Uani 1 1 d . . .
N10 N 0.2652(3) 0.0322(11) 0.8191(4) 0.067(3) Uani 1 1 d . . .
O1W O -0.0887(7) -0.306(2) 0.2537(9) 0.125(8) Uiso 0.50 1 d P . .
O2W O 0.0000 0.439(3) 0.2500 0.262(13) Uiso 1 2 d S . .
O3W O -0.0245(8) 0.205(3) 0.2828(10) 0.158(10) Uiso 0.50 1 d P . .
O4W O 0.0077(16) 0.005(3) 0.238(2) 0.240(17) Uiso 0.50 1 d P . .
O5W O 0.2736(7) -0.147(2) 0.7115(9) 0.110(7) Uiso 0.50 1 d P . .
O1M O 0.1711(3) 0.4368(8) 0.7614(3) 0.088(3) Uani 1 1 d . . .
C1M C 0.1935(6) 0.3572(17) 0.8025(6) 0.149(10) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
O4 Pr1 O6 79.33(17) . . ?
O4 Pr1 O5 67.08(16) . . ?
O6 Pr1 O5 65.70(16) . . ?
O4 Pr1 N5 105.27(18) . . ?
O6 Pr1 N5 127.92(18) . . ?
O5 Pr1 N5 68.93(17) . . ?
O4 Pr1 N7 150.33(19) . . ?
O6 Pr1 N7 71.01(18) . . ?
O5 Pr1 N7 99.05(18) . . ?
N5 Pr1 N7 92.70(19) . . ?
O4 Pr1 N6 73.44(18) . . ?
O6 Pr1 N6 136.14(18) . . ?
O5 Pr1 N6 128.88(18) . . ?
N5 Pr1 N6 92.56(19) . . ?
N7 Pr1 N6 130.1(2) . . ?
O4 Pr1 O3 110.67(16) . . ?
O6 Pr1 O3 82.32(16) . . ?
O5 Pr1 O3 147.94(16) . . ?
N5 Pr1 O3 136.95(17) . . ?
N7 Pr1 O3 66.67(18) . . ?
N6 Pr1 O3 76.16(18) . . ?
O4 Pr1 N8 139.91(18) . . ?
O6 Pr1 N8 138.15(17) . . ?
O5 Pr1 N8 132.53(17) . . ?
N5 Pr1 N8 66.15(18) . . ?
N7 Pr1 N8 68.98(19) . . ?
N6 Pr1 N8 68.18(19) . . ?
O3 Pr1 N8 71.13(17) . . ?
O4 Pr1 O2 66.88(17) . . ?
O6 Pr1 O2 67.30(17) . . ?
O5 Pr1 O2 118.27(16) . . ?
N5 Pr1 O2 162.68(19) . . ?
N7 Pr1 O2 101.17(18) . . ?
N6 Pr1 O2 70.58(18) . . ?
O3 Pr1 O2 44.44(16) . . ?
N8 Pr1 O2 109.16(17) . . ?
O4 Pr1 Zn1 44.59(12) . . ?
O6 Pr1 Zn1 40.84(11) . . ?
O5 Pr1 Zn1 41.29(10) . . ?
N5 Pr1 Zn1 108.82(13) . . ?
N7 Pr1 Zn1 107.49(14) . . ?
N6 Pr1 Zn1 117.42(13) . . ?
O3 Pr1 Zn1 113.27(12) . . ?
N8 Pr1 Zn1 173.21(13) . . ?
O2 Pr1 Zn1 77.00(12) . . ?
N4 Zn1 N3 104.8(2) . . ?
N4 Zn1 N2 102.2(2) . . ?
N3 Zn1 N2 100.7(2) . . ?
N4 Zn1 O6 94.3(2) . . ?
N3 Zn1 O6 159.7(2) . . ?
N2 Zn1 O6 81.5(2) . . ?
N4 Zn1 O5 85.5(2) . . ?
N3 Zn1 O5 101.4(2) . . ?
N2 Zn1 O5 153.9(2) . . ?
O6 Zn1 O5 72.98(17) . . ?
N4 Zn1 O4 156.5(2) . . ?
N3 Zn1 O4 77.5(2) . . ?
N2 Zn1 O4 100.2(2) . . ?
O6 Zn1 O4 82.31(17) . . ?
O5 Zn1 O4 71.31(17) . . ?
N4 Zn1 Pr1 120.12(16) . . ?
N3 Zn1 Pr1 117.37(17) . . ?
N2 Zn1 Pr1 108.96(16) . . ?
O6 Zn1 Pr1 44.49(13) . . ?
O5 Zn1 Pr1 47.61(12) . . ?
O4 Zn1 Pr1 44.29(11) . . ?
C27 N1 C14 117.4(6) . . ?
C27 N1 C1 117.1(6) . . ?
C14 N1 C1 117.7(6) . . ?
N1 C1 C2 111.3(6) . . ?
N9 O2 Pr1 89.6(4) . . ?
C29 N2 C28 113.5(6) . . ?
C29 N2 Zn1 127.6(5) . . ?
C28 N2 Zn1 117.6(5) . . ?
N4 C2 C1 111.4(6) . . ?
C16 N3 C15 113.5(6) . . ?
C16 N3 Zn1 127.0(5) . . ?
C15 N3 Zn1 116.7(5) . . ?
N9 O3 Pr1 107.5(4) . . ?
N4 C3 C4 129.5(7) . . ?
C22 O4 Pr1 138.6(4) . . ?
C22 O4 Zn1 124.6(4) . . ?
Pr1 O4 Zn1 91.12(17) . . ?
C3 N4 C2 115.9(6) . . ?
C3 N4 Zn1 127.0(5) . . ?
C2 N4 Zn1 117.1(5) . . ?
C5 C4 C9 120.3(6) . . ?
C5 C4 C3 114.8(7) . . ?
C9 C4 C3 124.8(7) . . ?
C9 O5 Zn1 129.2(4) . . ?
C9 O5 Pr1 131.6(4) . . ?
Zn1 O5 Pr1 91.10(17) . . ?
C11 N5 C12 118.2(6) . . ?
C11 N5 Pr1 130.7(5) . . ?
C12 N5 Pr1 110.8(4) . . ?
C4 C5 C6 124.0(7) . . ?
C35 O6 Zn1 131.5(4) . . ?
C35 O6 Pr1 129.5(4) . . ?
Zn1 O6 Pr1 94.67(18) . . ?
C24 N6 C25 117.7(6) . . ?
C24 N6 Pr1 123.6(5) . . ?
C25 N6 Pr1 115.8(5) . . ?
C7 C6 C5 116.1(7) . . ?
C7 C6 C10 122.7(7) . . ?
C5 C6 C10 121.2(7) . . ?
C37 N7 C38 117.9(6) . . ?
C37 N7 Pr1 127.1(5) . . ?
C38 N7 Pr1 112.0(5) . . ?
C6 C7 C8 122.5(7) . . ?
C13 N8 C26 112.0(6) . . ?
C13 N8 C39 108.5(6) . . ?
C26 N8 C39 108.9(6) . . ?
C13 N8 Pr1 113.1(4) . . ?
C26 N8 Pr1 106.4(4) . . ?
C39 N8 Pr1 107.7(4) . . ?
C7 C8 C9 120.5(7) . . ?
C7 C8 C11 115.8(6) . . ?
C9 C8 C11 123.7(6) . . ?
O2 N9 O1 122.7(7) . . ?
O2 N9 O3 117.9(7) . . ?
O1 N9 O3 119.4(7) . . ?
O5 C9 C4 122.5(6) . . ?
O5 C9 C8 121.1(6) . . ?
C4 C9 C8 116.4(6) . . ?
N5 C11 C8 126.6(6) . . ?
N5 C12 C13 109.3(6) . . ?
N8 C13 C12 112.3(5) . . ?
N1 C14 C15 110.3(6) . . ?
N3 C15 C14 109.4(6) . . ?
N3 C16 C17 127.5(7) . . ?
C18 C17 C22 120.1(7) . . ?
C18 C17 C16 117.0(7) . . ?
C22 C17 C16 122.8(7) . . ?
C19 C18 C17 121.7(7) . . ?
C20 C19 C18 117.2(7) . . ?
C20 C19 C23 123.0(8) . . ?
C18 C19 C23 119.8(7) . . ?
C19 C20 C21 123.2(8) . . ?
C20 C21 C22 120.0(7) . . ?
C20 C21 C24 115.7(7) . . ?
C22 C21 C24 123.9(6) . . ?
O4 C22 C17 119.4(6) . . ?
O4 C22 C21 123.5(6) . . ?
C17 C22 C21 117.1(6) . . ?
N6 C24 C21 128.3(7) . . ?
N6 C25 C26 113.6(6) . . ?
N8 C26 C25 113.0(6) . . ?
N1 C27 C28 113.0(6) . . ?
N2 C28 C27 110.5(6) . . ?
N2 C29 C30 128.6(7) . . ?
C31 C30 C35 119.5(7) . . ?
C31 C30 C29 117.5(6) . . ?
C35 C30 C29 123.0(7) . . ?
C32 C31 C30 122.9(7) . . ?
C31 C32 C33 117.4(7) . . ?
C31 C32 C36 120.7(7) . . ?
C33 C32 C36 121.9(8) . . ?
C32 C33 C34 122.7(7) . . ?
C33 C34 C35 119.3(7) . . ?
C33 C34 C37 116.9(7) . . ?
C35 C34 C37 123.8(7) . . ?
O6 C35 C34 121.6(6) . . ?
O6 C35 C30 120.6(6) . . ?
C34 C35 C30 117.8(7) . . ?
N7 C37 C34 126.9(7) . . ?
N7 C38 C39 108.2(6) . . ?
N8 C39 C38 113.0(6) . . ?
O9 N10 O7 120.2(13) . 6_556 ?
O9 N10 O8 118.3(16) . . ?
O7 N10 O8 120.2(12) 6_556 . ?
O5W C1M O1M 98(2) 4_556 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O4 2.322(4) . ?
Pr1 O6 2.338(5) . ?
Pr1 O5 2.456(5) . ?
Pr1 N5 2.552(6) . ?
Pr1 N7 2.561(6) . ?
Pr1 N6 2.575(6) . ?
Pr1 O3 2.606(5) . ?
Pr1 N8 2.680(6) . ?
Pr1 O2 2.979(7) . ?
Pr1 Zn1 3.3252(13) . ?
Zn1 N4 2.108(7) . ?
Zn1 N3 2.108(6) . ?
Zn1 N2 2.137(6) . ?
Zn1 O6 2.182(5) . ?
Zn1 O5 2.194(5) . ?
Zn1 O4 2.335(5) . ?
N1 C27 1.443(9) . ?
N1 C14 1.457(10) . ?
N1 C1 1.458(9) . ?
O1 N9 1.242(8) . ?
C1 C2 1.534(10) . ?
O2 N9 1.238(8) . ?
N2 C29 1.289(10) . ?
N2 C28 1.481(9) . ?
C2 N4 1.475(9) . ?
N3 C16 1.296(10) . ?
N3 C15 1.472(9) . ?
O3 N9 1.260(8) . ?
C3 N4 1.274(9) . ?
C3 C4 1.439(10) . ?
O4 C22 1.306(8) . ?
C4 C5 1.381(10) . ?
C4 C9 1.427(10) . ?
O5 C9 1.317(8) . ?
N5 C11 1.303(9) . ?
N5 C12 1.464(9) . ?
C5 C6 1.394(10) . ?
O6 C35 1.317(8) . ?
N6 C24 1.283(9) . ?
N6 C25 1.472(9) . ?
C6 C7 1.393(10) . ?
C6 C10 1.504(10) . ?
N7 C37 1.273(9) . ?
N7 C38 1.475(9) . ?
C7 C8 1.406(10) . ?
N8 C13 1.490(9) . ?
N8 C26 1.492(9) . ?
N8 C39 1.492(9) . ?
C8 C9 1.429(9) . ?
C8 C11 1.444(10) . ?
C12 C13 1.527(10) . ?
C14 C15 1.520(10) . ?
C16 C17 1.466(11) . ?
C17 C18 1.406(10) . ?
C17 C22 1.410(10) . ?
C18 C19 1.392(11) . ?
C19 C20 1.363(11) . ?
C19 C23 1.532(10) . ?
C20 C21 1.389(10) . ?
C21 C22 1.416(10) . ?
C21 C24 1.473(10) . ?
C25 C26 1.514(11) . ?
C27 C28 1.516(10) . ?
C29 C30 1.458(10) . ?
C30 C31 1.396(10) . ?
C30 C35 1.424(9) . ?
C31 C32 1.370(10) . ?
C32 C33 1.388(10) . ?
C32 C36 1.503(11) . ?
C33 C34 1.397(10) . ?
C34 C35 1.420(10) . ?
C34 C37 1.467(10) . ?
C38 C39 1.538(11) . ?
O7 N10 1.248(13) 6 ?
O8 N10 1.258(14) . ?
O9 N10 1.166(15) . ?
N10 O7 1.248(13) 6_556 ?
O4W O4W 0.91(8) 2 ?
O5W C1M 1.24(3) 4_546 ?
O1M C1M 1.427(16) . ?
C1M O5W 1.24(3) 4_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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 Pr1 Zn1 N4 -157.5(3) . . . . ?
O6 Pr1 Zn1 N4 62.1(3) . . . . ?
O5 Pr1 Zn1 N4 -49.2(3) . . . . ?
N5 Pr1 Zn1 N4 -64.6(2) . . . . ?
N7 Pr1 Zn1 N4 34.6(2) . . . . ?
N6 Pr1 Zn1 N4 -167.9(2) . . . . ?
O3 Pr1 Zn1 N4 106.1(2) . . . . ?
N8 Pr1 Zn1 N4 -23.2(11) . . . . ?
O2 Pr1 Zn1 N4 132.4(2) . . . . ?
O4 Pr1 Zn1 N3 -28.2(2) . . . . ?
O6 Pr1 Zn1 N3 -168.6(3) . . . . ?
O5 Pr1 Zn1 N3 80.1(3) . . . . ?
N5 Pr1 Zn1 N3 64.6(2) . . . . ?
N7 Pr1 Zn1 N3 163.8(2) . . . . ?
N6 Pr1 Zn1 N3 -38.7(2) . . . . ?
O3 Pr1 Zn1 N3 -124.6(2) . . . . ?
N8 Pr1 Zn1 N3 106.1(11) . . . . ?
O2 Pr1 Zn1 N3 -98.4(2) . . . . ?
O4 Pr1 Zn1 N2 85.2(3) . . . . ?
O6 Pr1 Zn1 N2 -55.1(3) . . . . ?
O5 Pr1 Zn1 N2 -166.5(3) . . . . ?
N5 Pr1 Zn1 N2 178.1(2) . . . . ?
N7 Pr1 Zn1 N2 -82.7(2) . . . . ?
N6 Pr1 Zn1 N2 74.8(2) . . . . ?
O3 Pr1 Zn1 N2 -11.2(2) . . . . ?
N8 Pr1 Zn1 N2 -140.5(11) . . . . ?
O2 Pr1 Zn1 N2 15.1(2) . . . . ?
O4 Pr1 Zn1 O6 140.3(2) . . . . ?
O5 Pr1 Zn1 O6 -111.3(3) . . . . ?
N5 Pr1 Zn1 O6 -126.8(2) . . . . ?
N7 Pr1 Zn1 O6 -27.6(2) . . . . ?
N6 Pr1 Zn1 O6 129.9(2) . . . . ?
O3 Pr1 Zn1 O6 44.0(2) . . . . ?
N8 Pr1 Zn1 O6 -85.4(11) . . . . ?
O2 Pr1 Zn1 O6 70.2(2) . . . . ?
O4 Pr1 Zn1 O5 -108.3(2) . . . . ?
O6 Pr1 Zn1 O5 111.3(3) . . . . ?
N5 Pr1 Zn1 O5 -15.4(2) . . . . ?
N7 Pr1 Zn1 O5 83.7(2) . . . . ?
N6 Pr1 Zn1 O5 -118.7(2) . . . . ?
O3 Pr1 Zn1 O5 155.3(2) . . . . ?
N8 Pr1 Zn1 O5 26.0(11) . . . . ?
O2 Pr1 Zn1 O5 -178.5(2) . . . . ?
O6 Pr1 Zn1 O4 -140.3(2) . . . . ?
O5 Pr1 Zn1 O4 108.3(2) . . . . ?
N5 Pr1 Zn1 O4 92.9(2) . . . . ?
N7 Pr1 Zn1 O4 -167.9(2) . . . . ?
N6 Pr1 Zn1 O4 -10.4(2) . . . . ?
O3 Pr1 Zn1 O4 -96.4(2) . . . . ?
N8 Pr1 Zn1 O4 134.3(11) . . . . ?
O2 Pr1 Zn1 O4 -70.1(2) . . . . ?
C27 N1 C1 C2 84.2(8) . . . . ?
C14 N1 C1 C2 -127.4(7) . . . . ?
O4 Pr1 O2 N9 173.7(5) . . . . ?
O6 Pr1 O2 N9 -98.5(5) . . . . ?
O5 Pr1 O2 N9 -141.5(4) . . . . ?
N5 Pr1 O2 N9 107.8(7) . . . . ?
N7 Pr1 O2 N9 -34.8(5) . . . . ?
N6 Pr1 O2 N9 94.0(5) . . . . ?
O3 Pr1 O2 N9 4.1(4) . . . . ?
N8 Pr1 O2 N9 36.6(5) . . . . ?
Zn1 Pr1 O2 N9 -140.4(5) . . . . ?
N4 Zn1 N2 C29 -71.4(6) . . . . ?
N3 Zn1 N2 C29 -179.3(6) . . . . ?
O6 Zn1 N2 C29 21.2(6) . . . . ?
O5 Zn1 N2 C29 33.6(9) . . . . ?
O4 Zn1 N2 C29 101.7(6) . . . . ?
Pr1 Zn1 N2 C29 56.7(6) . . . . ?
N4 Zn1 N2 C28 94.6(5) . . . . ?
N3 Zn1 N2 C28 -13.3(5) . . . . ?
O6 Zn1 N2 C28 -172.8(5) . . . . ?
O5 Zn1 N2 C28 -160.4(5) . . . . ?
O4 Zn1 N2 C28 -92.3(5) . . . . ?
Pr1 Zn1 N2 C28 -137.3(5) . . . . ?
N1 C1 C2 N4 57.6(8) . . . . ?
N4 Zn1 N3 C16 -167.9(6) . . . . ?
N2 Zn1 N3 C16 -62.1(6) . . . . ?
O6 Zn1 N3 C16 32.4(10) . . . . ?
O5 Zn1 N3 C16 103.9(6) . . . . ?
O4 Zn1 N3 C16 36.2(6) . . . . ?
Pr1 Zn1 N3 C16 56.0(6) . . . . ?
N4 Zn1 N3 C15 -8.1(5) . . . . ?
N2 Zn1 N3 C15 97.7(5) . . . . ?
O6 Zn1 N3 C15 -167.9(5) . . . . ?
O5 Zn1 N3 C15 -96.4(5) . . . . ?
O4 Zn1 N3 C15 -164.1(5) . . . . ?
Pr1 Zn1 N3 C15 -144.3(4) . . . . ?
O4 Pr1 O3 N9 -14.5(5) . . . . ?
O6 Pr1 O3 N9 61.0(5) . . . . ?
O5 Pr1 O3 N9 65.0(6) . . . . ?
N5 Pr1 O3 N9 -159.2(4) . . . . ?
N7 Pr1 O3 N9 133.6(5) . . . . ?
N6 Pr1 O3 N9 -80.5(5) . . . . ?
N8 Pr1 O3 N9 -151.8(5) . . . . ?
O2 Pr1 O3 N9 -4.3(4) . . . . ?
Zn1 Pr1 O3 N9 33.7(5) . . . . ?
O6 Pr1 O4 C22 -126.6(7) . . . . ?
O5 Pr1 O4 C22 165.4(7) . . . . ?
N5 Pr1 O4 C22 106.7(7) . . . . ?
N7 Pr1 O4 C22 -128.0(7) . . . . ?
N6 Pr1 O4 C22 18.6(6) . . . . ?
O3 Pr1 O4 C22 -49.1(7) . . . . ?
N8 Pr1 O4 C22 35.8(8) . . . . ?
O2 Pr1 O4 C22 -56.9(6) . . . . ?
Zn1 Pr1 O4 C22 -151.7(7) . . . . ?
O6 Pr1 O4 Zn1 25.13(16) . . . . ?
O5 Pr1 O4 Zn1 -42.85(15) . . . . ?
N5 Pr1 O4 Zn1 -101.51(19) . . . . ?
N7 Pr1 O4 Zn1 23.8(4) . . . . ?
N6 Pr1 O4 Zn1 170.4(2) . . . . ?
O3 Pr1 O4 Zn1 102.63(18) . . . . ?
N8 Pr1 O4 Zn1 -172.4(2) . . . . ?
O2 Pr1 O4 Zn1 94.86(19) . . . . ?
N4 Zn1 O4 C22 -146.2(6) . . . . ?
N3 Zn1 O4 C22 -47.9(5) . . . . ?
N2 Zn1 O4 C22 50.9(5) . . . . ?
O6 Zn1 O4 C22 130.8(5) . . . . ?
O5 Zn1 O4 C22 -154.6(5) . . . . ?
Pr1 Zn1 O4 C22 157.6(6) . . . . ?
N4 Zn1 O4 Pr1 56.2(5) . . . . ?
N3 Zn1 O4 Pr1 154.5(2) . . . . ?
N2 Zn1 O4 Pr1 -106.7(2) . . . . ?
O6 Zn1 O4 Pr1 -26.82(16) . . . . ?
O5 Zn1 O4 Pr1 47.75(16) . . . . ?
C4 C3 N4 C2 175.4(7) . . . . ?
C4 C3 N4 Zn1 -4.6(11) . . . . ?
C1 C2 N4 C3 106.1(7) . . . . ?
C1 C2 N4 Zn1 -73.9(7) . . . . ?
N3 Zn1 N4 C3 -89.9(6) . . . . ?
N2 Zn1 N4 C3 165.5(6) . . . . ?
O6 Zn1 N4 C3 83.2(6) . . . . ?
O5 Zn1 N4 C3 10.7(6) . . . . ?
O4 Zn1 N4 C3 2.7(10) . . . . ?
Pr1 Zn1 N4 C3 44.8(7) . . . . ?
N3 Zn1 N4 C2 90.1(5) . . . . ?
N2 Zn1 N4 C2 -14.5(5) . . . . ?
O6 Zn1 N4 C2 -96.8(5) . . . . ?
O5 Zn1 N4 C2 -169.3(5) . . . . ?
O4 Zn1 N4 C2 -177.3(4) . . . . ?
Pr1 Zn1 N4 C2 -135.2(4) . . . . ?
N4 C3 C4 C5 176.2(7) . . . . ?
N4 C3 C4 C9 -7.0(13) . . . . ?
N4 Zn1 O5 C9 -11.8(6) . . . . ?
N3 Zn1 O5 C9 92.4(6) . . . . ?
N2 Zn1 O5 C9 -120.5(6) . . . . ?
O6 Zn1 O5 C9 -107.7(6) . . . . ?
O4 Zn1 O5 C9 164.9(6) . . . . ?
Pr1 Zn1 O5 C9 -150.7(6) . . . . ?
N4 Zn1 O5 Pr1 139.0(2) . . . . ?
N3 Zn1 O5 Pr1 -116.8(2) . . . . ?
N2 Zn1 O5 Pr1 30.2(5) . . . . ?
O6 Zn1 O5 Pr1 43.05(17) . . . . ?
O4 Zn1 O5 Pr1 -44.41(15) . . . . ?
O4 Pr1 O5 C9 -164.1(6) . . . . ?
O6 Pr1 O5 C9 107.6(6) . . . . ?
N5 Pr1 O5 C9 -46.1(6) . . . . ?
N7 Pr1 O5 C9 43.3(6) . . . . ?
N6 Pr1 O5 C9 -121.7(6) . . . . ?
O3 Pr1 O5 C9 103.2(6) . . . . ?
N8 Pr1 O5 C9 -26.4(7) . . . . ?
O2 Pr1 O5 C9 151.3(6) . . . . ?
Zn1 Pr1 O5 C9 149.6(7) . . . . ?
O4 Pr1 O5 Zn1 46.35(17) . . . . ?
O6 Pr1 O5 Zn1 -41.94(16) . . . . ?
N5 Pr1 O5 Zn1 164.3(2) . . . . ?
N7 Pr1 O5 Zn1 -106.25(19) . . . . ?
N6 Pr1 O5 Zn1 88.8(2) . . . . ?
O3 Pr1 O5 Zn1 -46.3(3) . . . . ?
N8 Pr1 O5 Zn1 -175.97(18) . . . . ?
O2 Pr1 O5 Zn1 1.7(2) . . . . ?
O4 Pr1 N5 C11 82.5(6) . . . . ?
O6 Pr1 N5 C11 -5.7(7) . . . . ?
O5 Pr1 N5 C11 25.1(6) . . . . ?
N7 Pr1 N5 C11 -73.6(6) . . . . ?
N6 Pr1 N5 C11 156.1(6) . . . . ?
O3 Pr1 N5 C11 -131.6(6) . . . . ?
N8 Pr1 N5 C11 -139.2(7) . . . . ?
O2 Pr1 N5 C11 143.1(6) . . . . ?
Zn1 Pr1 N5 C11 35.9(6) . . . . ?
O4 Pr1 N5 C12 -104.1(4) . . . . ?
O6 Pr1 N5 C12 167.6(4) . . . . ?
O5 Pr1 N5 C12 -161.6(5) . . . . ?
N7 Pr1 N5 C12 99.7(4) . . . . ?
N6 Pr1 N5 C12 -30.6(4) . . . . ?
O3 Pr1 N5 C12 41.8(6) . . . . ?
N8 Pr1 N5 C12 34.2(4) . . . . ?
O2 Pr1 N5 C12 -43.6(8) . . . . ?
Zn1 Pr1 N5 C12 -150.7(4) . . . . ?
C9 C4 C5 C6 -0.1(12) . . . . ?
C3 C4 C5 C6 176.8(7) . . . . ?
N4 Zn1 O6 C35 72.5(6) . . . . ?
N3 Zn1 O6 C35 -127.1(7) . . . . ?
N2 Zn1 O6 C35 -29.2(6) . . . . ?
O5 Zn1 O6 C35 156.4(6) . . . . ?
O4 Zn1 O6 C35 -130.8(6) . . . . ?
Pr1 Zn1 O6 C35 -157.6(7) . . . . ?
N4 Zn1 O6 Pr1 -129.9(2) . . . . ?
N3 Zn1 O6 Pr1 30.5(6) . . . . ?
N2 Zn1 O6 Pr1 128.3(2) . . . . ?
O5 Zn1 O6 Pr1 -46.01(17) . . . . ?
O4 Zn1 O6 Pr1 26.72(16) . . . . ?
O4 Pr1 O6 C35 131.1(6) . . . . ?
O5 Pr1 O6 C35 -159.3(6) . . . . ?
N5 Pr1 O6 C35 -127.7(6) . . . . ?
N7 Pr1 O6 C35 -49.6(6) . . . . ?
N6 Pr1 O6 C35 79.1(6) . . . . ?
O3 Pr1 O6 C35 18.3(6) . . . . ?
N8 Pr1 O6 C35 -31.9(7) . . . . ?
O2 Pr1 O6 C35 61.9(6) . . . . ?
Zn1 Pr1 O6 C35 158.3(7) . . . . ?
O4 Pr1 O6 Zn1 -27.12(17) . . . . ?
O5 Pr1 O6 Zn1 42.41(16) . . . . ?
N5 Pr1 O6 Zn1 74.0(2) . . . . ?
N7 Pr1 O6 Zn1 152.2(2) . . . . ?
N6 Pr1 O6 Zn1 -79.2(3) . . . . ?
O3 Pr1 O6 Zn1 -139.94(19) . . . . ?
N8 Pr1 O6 Zn1 169.8(2) . . . . ?
O2 Pr1 O6 Zn1 -96.4(2) . . . . ?
O4 Pr1 N6 C24 -29.5(6) . . . . ?
O6 Pr1 N6 C24 24.4(7) . . . . ?
O5 Pr1 N6 C24 -69.9(6) . . . . ?
N5 Pr1 N6 C24 -134.7(6) . . . . ?
N7 Pr1 N6 C24 129.6(6) . . . . ?
O3 Pr1 N6 C24 87.4(6) . . . . ?
N8 Pr1 N6 C24 162.3(6) . . . . ?
O2 Pr1 N6 C24 41.2(6) . . . . ?
Zn1 Pr1 N6 C24 -21.9(6) . . . . ?
O4 Pr1 N6 C25 169.9(5) . . . . ?
O6 Pr1 N6 C25 -136.1(5) . . . . ?
O5 Pr1 N6 C25 129.5(5) . . . . ?
N5 Pr1 N6 C25 64.8(5) . . . . ?
N7 Pr1 N6 C25 -30.9(6) . . . . ?
O3 Pr1 N6 C25 -73.2(5) . . . . ?
N8 Pr1 N6 C25 1.8(5) . . . . ?
O2 Pr1 N6 C25 -119.3(5) . . . . ?
Zn1 Pr1 N6 C25 177.5(4) . . . . ?
C4 C5 C6 C7 -2.0(11) . . . . ?
C4 C5 C6 C10 178.4(7) . . . . ?
O4 Pr1 N7 C37 30.4(9) . . . . ?
O6 Pr1 N7 C37 29.0(6) . . . . ?
O5 Pr1 N7 C37 89.3(7) . . . . ?
N5 Pr1 N7 C37 158.4(7) . . . . ?
N6 Pr1 N7 C37 -106.0(7) . . . . ?
O3 Pr1 N7 C37 -60.7(6) . . . . ?
N8 Pr1 N7 C37 -138.5(7) . . . . ?
O2 Pr1 N7 C37 -32.1(7) . . . . ?
Zn1 Pr1 N7 C37 47.7(7) . . . . ?
O4 Pr1 N7 C38 -169.7(4) . . . . ?
O6 Pr1 N7 C38 -171.2(5) . . . . ?
O5 Pr1 N7 C38 -110.9(5) . . . . ?
N5 Pr1 N7 C38 -41.8(5) . . . . ?
N6 Pr1 N7 C38 53.9(6) . . . . ?
O3 Pr1 N7 C38 99.1(5) . . . . ?
N8 Pr1 N7 C38 21.4(5) . . . . ?
O2 Pr1 N7 C38 127.8(5) . . . . ?
Zn1 Pr1 N7 C38 -152.5(5) . . . . ?
C5 C6 C7 C8 0.0(11) . . . . ?
C10 C6 C7 C8 179.6(7) . . . . ?
O4 Pr1 N8 C13 79.1(5) . . . . ?
O6 Pr1 N8 C13 -127.3(5) . . . . ?
O5 Pr1 N8 C13 -26.5(6) . . . . ?
N5 Pr1 N8 C13 -6.4(5) . . . . ?
N7 Pr1 N8 C13 -109.4(5) . . . . ?
N6 Pr1 N8 C13 96.9(5) . . . . ?
O3 Pr1 N8 C13 179.1(5) . . . . ?
O2 Pr1 N8 C13 155.6(5) . . . . ?
Zn1 Pr1 N8 C13 -49.6(14) . . . . ?
O4 Pr1 N8 C26 -44.4(5) . . . . ?
O6 Pr1 N8 C26 109.2(4) . . . . ?
O5 Pr1 N8 C26 -150.0(4) . . . . ?
N5 Pr1 N8 C26 -129.9(5) . . . . ?
N7 Pr1 N8 C26 127.1(5) . . . . ?
N6 Pr1 N8 C26 -26.6(4) . . . . ?
O3 Pr1 N8 C26 55.6(4) . . . . ?
O2 Pr1 N8 C26 32.2(5) . . . . ?
Zn1 Pr1 N8 C26 -173.1(9) . . . . ?
O4 Pr1 N8 C39 -161.0(4) . . . . ?
O6 Pr1 N8 C39 -7.4(6) . . . . ?
O5 Pr1 N8 C39 93.4(5) . . . . ?
N5 Pr1 N8 C39 113.5(5) . . . . ?
N7 Pr1 N8 C39 10.5(4) . . . . ?
N6 Pr1 N8 C39 -143.2(5) . . . . ?
O3 Pr1 N8 C39 -61.0(4) . . . . ?
O2 Pr1 N8 C39 -84.4(4) . . . . ?
Zn1 Pr1 N8 C39 70.3(13) . . . . ?
C6 C7 C8 C9 4.1(11) . . . . ?
C6 C7 C8 C11 -178.4(7) . . . . ?
Pr1 O2 N9 O1 172.7(7) . . . . ?
Pr1 O2 N9 O3 -6.8(7) . . . . ?
Pr1 O3 N9 O2 8.2(8) . . . . ?
Pr1 O3 N9 O1 -171.4(6) . . . . ?
Zn1 O5 C9 C4 6.0(10) . . . . ?
Pr1 O5 C9 C4 -133.2(6) . . . . ?
Zn1 O5 C9 C8 -175.7(5) . . . . ?
Pr1 O5 C9 C8 45.1(9) . . . . ?
C5 C4 C9 O5 -177.5(7) . . . . ?
C3 C4 C9 O5 5.9(11) . . . . ?
C5 C4 C9 C8 4.1(10) . . . . ?
C3 C4 C9 C8 -172.5(7) . . . . ?
C7 C8 C9 O5 175.6(6) . . . . ?
C11 C8 C9 O5 -1.7(11) . . . . ?
C7 C8 C9 C4 -6.0(10) . . . . ?
C11 C8 C9 C4 176.7(7) . . . . ?
C12 N5 C11 C8 -178.1(7) . . . . ?
Pr1 N5 C11 C8 -5.1(11) . . . . ?
C7 C8 C11 N5 165.5(7) . . . . ?
C9 C8 C11 N5 -17.1(11) . . . . ?
C11 N5 C12 C13 114.9(7) . . . . ?
Pr1 N5 C12 C13 -59.4(6) . . . . ?
C26 N8 C13 C12 99.5(7) . . . . ?
C39 N8 C13 C12 -140.2(6) . . . . ?
Pr1 N8 C13 C12 -20.8(8) . . . . ?
N5 C12 C13 N8 53.0(8) . . . . ?
C27 N1 C14 C15 -126.0(7) . . . . ?
C1 N1 C14 C15 85.7(8) . . . . ?
C16 N3 C15 C14 83.3(8) . . . . ?
Zn1 N3 C15 C14 -79.2(7) . . . . ?
N1 C14 C15 N3 57.7(8) . . . . ?
C15 N3 C16 C17 -175.8(7) . . . . ?
Zn1 N3 C16 C17 -15.5(11) . . . . ?
N3 C16 C17 C18 163.3(7) . . . . ?
N3 C16 C17 C22 -19.5(12) . . . . ?
C22 C17 C18 C19 1.6(11) . . . . ?
C16 C17 C18 C19 178.9(7) . . . . ?
C17 C18 C19 C20 -7.2(11) . . . . ?
C17 C18 C19 C23 172.4(7) . . . . ?
C18 C19 C20 C21 4.7(11) . . . . ?
C23 C19 C20 C21 -174.8(7) . . . . ?
C19 C20 C21 C22 3.3(11) . . . . ?
C19 C20 C21 C24 -170.2(7) . . . . ?
Pr1 O4 C22 C17 179.5(5) . . . . ?
Zn1 O4 C22 C17 34.6(8) . . . . ?
Pr1 O4 C22 C21 -3.3(11) . . . . ?
Zn1 O4 C22 C21 -148.2(5) . . . . ?
C18 C17 C22 O4 -176.3(6) . . . . ?
C16 C17 C22 O4 6.5(11) . . . . ?
C18 C17 C22 C21 6.3(10) . . . . ?
C16 C17 C22 C21 -170.8(7) . . . . ?
C20 C21 C22 O4 174.1(7) . . . . ?
C24 C21 C22 O4 -13.1(11) . . . . ?
C20 C21 C22 C17 -8.7(10) . . . . ?
C24 C21 C22 C17 164.2(7) . . . . ?
C25 N6 C24 C21 -169.1(7) . . . . ?
Pr1 N6 C24 C21 30.7(11) . . . . ?
C20 C21 C24 N6 168.9(8) . . . . ?
C22 C21 C24 N6 -4.2(12) . . . . ?
C24 N6 C25 C26 -137.6(7) . . . . ?
Pr1 N6 C25 C26 24.1(8) . . . . ?
C13 N8 C26 C25 -73.3(7) . . . . ?
C39 N8 C26 C25 166.6(6) . . . . ?
Pr1 N8 C26 C25 50.8(6) . . . . ?
N6 C25 C26 N8 -52.7(8) . . . . ?
C14 N1 C27 C28 85.6(8) . . . . ?
C1 N1 C27 C28 -125.8(7) . . . . ?
C29 N2 C28 C27 95.0(8) . . . . ?
Zn1 N2 C28 C27 -72.9(7) . . . . ?
N1 C27 C28 N2 56.0(9) . . . . ?
C28 N2 C29 C30 -174.8(7) . . . . ?
Zn1 N2 C29 C30 -8.3(11) . . . . ?
N2 C29 C30 C31 170.7(7) . . . . ?
N2 C29 C30 C35 -11.7(12) . . . . ?
C35 C30 C31 C32 2.1(11) . . . . ?
C29 C30 C31 C32 179.8(7) . . . . ?
C30 C31 C32 C33 -4.8(11) . . . . ?
C30 C31 C32 C36 175.1(7) . . . . ?
C31 C32 C33 C34 2.2(11) . . . . ?
C36 C32 C33 C34 -177.6(8) . . . . ?
C32 C33 C34 C35 2.9(12) . . . . ?
C32 C33 C34 C37 -174.9(7) . . . . ?
Zn1 O6 C35 C34 -159.2(5) . . . . ?
Pr1 O6 C35 C34 50.3(9) . . . . ?
Zn1 O6 C35 C30 21.5(10) . . . . ?
Pr1 O6 C35 C30 -129.0(6) . . . . ?
C33 C34 C35 O6 175.2(7) . . . . ?
C37 C34 C35 O6 -7.2(11) . . . . ?
C33 C34 C35 C30 -5.4(10) . . . . ?
C37 C34 C35 C30 172.2(7) . . . . ?
C31 C30 C35 O6 -177.6(7) . . . . ?
C29 C30 C35 O6 4.8(11) . . . . ?
C31 C30 C35 C34 3.1(10) . . . . ?
C29 C30 C35 C34 -174.5(7) . . . . ?
C38 N7 C37 C34 -169.4(7) . . . . ?
Pr1 N7 C37 C34 -10.6(11) . . . . ?
C33 C34 C37 N7 167.1(8) . . . . ?
C35 C34 C37 N7 -10.6(12) . . . . ?
C37 N7 C38 C39 111.5(8) . . . . ?
Pr1 N7 C38 C39 -50.3(7) . . . . ?
C13 N8 C39 C38 81.3(7) . . . . ?
C26 N8 C39 C38 -156.5(6) . . . . ?
Pr1 N8 C39 C38 -41.5(7) . . . . ?
N7 C38 C39 N8 63.8(8) . . . . ?
