#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/86/4318675.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_4318675
loop_
_publ_author_name
'Ruxandra Gheorghe'
'Marius Andruh'
'Achim Müller'
'Marc Schmidtmann'
_publ_contact_author_address
;     Fakultät f. Chemie
       Universität Bielefeld
       33501 Bielefeld
       Germany
;
_publ_contact_author_email       a.mueller@uni-bielefeld.de
_publ_contact_author_fax         '49 521 106 6003'
_publ_contact_author_name        'Prof. Dr. A. Müller'
_publ_contact_author_phone       '49 521 106 6153'
_publ_section_title
;
 Heterobinuclear Complexes as Building Blocks in Designing Extended
 Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5314
_journal_page_last               5316
_journal_paper_doi               10.1021/ic020293s
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C25 H24 Cu N5 O12 Pr'
_chemical_formula_weight         790.94
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.4270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2837(3)
_cell_length_b                   14.7785(4)
_cell_length_c                   16.9745(4)
_cell_measurement_reflns_used    7341
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      30.01
_cell_measurement_theta_min      2.29
_cell_volume                     2783.86(12)
_computing_cell_refinement       'Bruker AXS SAINT'
_computing_data_collection       'Bruker AXS SMART'
_computing_data_reduction        'Bruker AXS SAINT'
_computing_molecular_graphics    'Crystal Impact: DIAMOND; Bruker AXS: SHELXTL'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker AXS SMART'
_diffrn_measurement_method       omega-scan
_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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            21607
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.568
_exptl_absorpt_correction_T_max  0.8209
_exptl_absorpt_correction_T_min  0.5130
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.264
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         7968
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0258
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+1.2000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0586
_reflns_number_gt                7046
_reflns_number_total             7968
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020293s.cif
_cod_data_source_block           andru2
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               4318675
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.333246(8) 0.861516(6) 0.488151(5) 0.01810(3) Uani 1 1 d . . .
Cu1 Cu 0.45526(2) 0.872051(15) 0.305818(13) 0.02067(5) Uani 1 1 d . . .
C1 C 0.56172(16) 0.74075(12) 0.43060(11) 0.0227(3) Uani 1 1 d . . .
C2 C 0.55222(17) 0.68676(13) 0.49800(11) 0.0256(4) Uani 1 1 d . . .
C3 C 0.6368(2) 0.62084(15) 0.52556(14) 0.0348(5) Uani 1 1 d . . .
H3A H 0.6273 0.5843 0.5700 0.042 Uiso 1 1 calc R . .
C4 C 0.7362(2) 0.60786(17) 0.48812(15) 0.0416(5) Uani 1 1 d . . .
H4A H 0.7942 0.5626 0.5070 0.050 Uiso 1 1 calc R . .
C5 C 0.7490(2) 0.66081(16) 0.42422(14) 0.0368(5) Uani 1 1 d . . .
H5A H 0.8174 0.6528 0.3995 0.044 Uiso 1 1 calc R . .
C6 C 0.66260(16) 0.72725(14) 0.39409(11) 0.0269(4) Uani 1 1 d . . .
C7 C 0.68577(17) 0.77966(14) 0.32704(12) 0.0285(4) Uani 1 1 d . . .
H7A H 0.7600 0.7675 0.3102 0.034 Uiso 1 1 calc R . .
C8 C 0.6759(2) 0.8833(2) 0.22290(18) 0.0527(7) Uani 1 1 d . . .
H8A H 0.7158 0.8353 0.1964 0.063 Uiso 1 1 calc R . .
H8B H 0.7393 0.9256 0.2485 0.063 Uiso 1 1 calc R . .
C9 C 0.5910(2) 0.93396(19) 0.15956(15) 0.0468(6) Uani 1 1 d . . .
H9A H 0.6372 0.9587 0.1201 0.056 Uiso 1 1 calc R . .
H9B H 0.5309 0.8909 0.1310 0.056 Uiso 1 1 calc R . .
C10 C 0.5263(2) 1.00924(17) 0.19106(14) 0.0398(5) Uani 1 1 d . . .
H10A H 0.5838 1.0442 0.2306 0.048 Uiso 1 1 calc R . .
H10B H 0.4928 1.0504 0.1466 0.048 Uiso 1 1 calc R . .
C11 C 0.32475(19) 1.01341(13) 0.20657(11) 0.0284(4) Uani 1 1 d . . .
H11A H 0.3201 1.0568 0.1648 0.034 Uiso 1 1 calc R . .
C12 C 0.21543(17) 0.99754(12) 0.23699(10) 0.0240(4) Uani 1 1 d . . .
C13 C 0.1104(2) 1.04217(13) 0.19803(11) 0.0307(4) Uani 1 1 d . . .
H13A H 0.1130 1.0772 0.1514 0.037 Uiso 1 1 calc R . .
C14 C 0.0050(2) 1.03553(14) 0.22668(12) 0.0335(4) Uani 1 1 d . . .
H14A H -0.0659 1.0642 0.1991 0.040 Uiso 1 1 calc R . .
C15 C 0.00173(18) 0.98636(14) 0.29670(12) 0.0296(4) Uani 1 1 d . . .
H15A H -0.0712 0.9824 0.3171 0.036 Uiso 1 1 calc R . .
C16 C 0.10383(16) 0.94379(12) 0.33609(11) 0.0228(3) Uani 1 1 d . . .
C17 C 0.21336(16) 0.94740(11) 0.30685(10) 0.0205(3) Uani 1 1 d . . .
C18 C 0.4325(2) 0.64467(14) 0.59469(14) 0.0372(5) Uani 1 1 d . . .
H18A H 0.4224 0.5833 0.5727 0.056 Uiso 1 1 calc R . .
H18B H 0.3592 0.6628 0.6140 0.056 Uiso 1 1 calc R . .
H18C H 0.5011 0.6460 0.6393 0.056 Uiso 1 1 calc R . .
C19 C -0.0001(2) 0.8837(2) 0.43603(16) 0.0441(6) Uani 1 1 d . . .
H19A H -0.0557 0.8481 0.3970 0.066 Uiso 1 1 calc R . .
H19B H -0.0362 0.9427 0.4433 0.066 Uiso 1 1 calc R . .
H19C H 0.0159 0.8515 0.4873 0.066 Uiso 1 1 calc R . .
C20 C 0.36130(15) 1.08312(11) 0.44516(10) 0.0198(3) Uani 1 1 d . . .
C21 C 0.28624(16) 1.14918(11) 0.38900(10) 0.0196(3) Uani 1 1 d . . .
C22 C 0.33508(16) 1.19222(12) 0.32996(11) 0.0218(3) Uani 1 1 d . . .
H22A H 0.4171 1.1830 0.3259 0.026 Uiso 1 1 calc R . .
C23 C 0.26250(16) 1.24897(12) 0.27683(11) 0.0230(3) Uani 1 1 d . . .
H23A H 0.2962 1.2770 0.2356 0.028 Uiso 1 1 calc R . .
C24 C 0.10085(17) 1.22418(14) 0.33832(12) 0.0284(4) Uani 1 1 d . . .
H24A H 0.0191 1.2353 0.3419 0.034 Uiso 1 1 calc R . .
C25 C 0.16661(17) 1.16517(13) 0.39289(11) 0.0255(4) Uani 1 1 d . . .
H25A H 0.1301 1.1361 0.4324 0.031 Uiso 1 1 calc R . .
N1 N 0.61979(15) 0.84062(13) 0.28686(10) 0.0294(3) Uani 1 1 d . . .
N2 N 0.42811(15) 0.97556(11) 0.22938(9) 0.0279(3) Uani 1 1 d . . .
N3 N 0.25807(16) 0.87570(11) 0.65103(10) 0.0264(3) Uani 1 1 d . . .
N4 N 0.17826(18) 0.68991(13) 0.46878(11) 0.0362(4) Uani 1 1 d . . .
N5 N 0.14693(14) 1.26635(11) 0.28079(9) 0.0244(3) Uani 1 1 d . . .
O1 O 0.30908(11) 0.90513(9) 0.34750(7) 0.0202(2) Uani 1 1 d . . .
O2 O 0.47746(11) 0.80139(9) 0.40579(8) 0.0248(3) Uani 1 1 d . . .
O3 O 0.11105(11) 0.89657(10) 0.40735(8) 0.0259(3) Uani 1 1 d . . .
O4 O 0.45415(13) 0.70637(9) 0.53311(8) 0.0286(3) Uani 1 1 d . . .
O5 O 0.20367(14) 0.91937(10) 0.59121(9) 0.0341(3) Uani 1 1 d . . .
O6 O 0.35422(13) 0.83579(11) 0.64275(9) 0.0321(3) Uani 1 1 d . . .
O7 O 0.22070(17) 0.87292(12) 0.71434(10) 0.0449(4) Uani 1 1 d . . .
O8 O 0.22981(15) 0.71343(10) 0.41217(9) 0.0362(3) Uani 1 1 d . . .
O9 O 0.18691(13) 0.74325(10) 0.52825(8) 0.0312(3) Uani 1 1 d . . .
O10 O 0.1246(3) 0.61808(15) 0.46810(13) 0.0744(8) Uani 1 1 d . . .
O11 O 0.30663(12) 1.02585(9) 0.48005(8) 0.0237(3) Uani 1 1 d . . .
O12 O 0.47336(12) 1.08888(10) 0.45091(9) 0.0294(3) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8214 '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'
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
O12 Pr1 O1 106.14(4) 3_676 . ?
O12 Pr1 O11 79.07(5) 3_676 . ?
O1 Pr1 O11 72.07(4) . . ?
O12 Pr1 O2 73.17(5) 3_676 . ?
O1 Pr1 O2 60.93(4) . . ?
O11 Pr1 O2 114.08(4) . . ?
O12 Pr1 O9 132.94(5) 3_676 . ?
O1 Pr1 O9 118.28(4) . . ?
O11 Pr1 O9 127.54(5) . . ?
O2 Pr1 O9 114.86(4) . . ?
O12 Pr1 O5 100.94(5) 3_676 . ?
O1 Pr1 O5 126.19(4) . . ?
O11 Pr1 O5 68.64(4) . . ?
O2 Pr1 O5 172.38(4) . . ?
O9 Pr1 O5 65.38(5) . . ?
O12 Pr1 O6 72.35(5) 3_676 . ?
O1 Pr1 O6 172.90(5) . . ?
O11 Pr1 O6 100.85(5) . . ?
O2 Pr1 O6 124.07(4) . . ?
O9 Pr1 O6 65.38(5) . . ?
O5 Pr1 O6 48.56(4) . . ?
O12 Pr1 O3 150.49(5) 3_676 . ?
O1 Pr1 O3 61.31(4) . . ?
O11 Pr1 O3 71.69(4) . . ?
O2 Pr1 O3 115.26(4) . . ?
O9 Pr1 O3 71.45(5) . . ?
O5 Pr1 O3 72.25(4) . . ?
O6 Pr1 O3 116.55(4) . . ?
O12 Pr1 O8 138.49(5) 3_676 . ?
O1 Pr1 O8 77.55(4) . . ?
O11 Pr1 O8 137.76(5) . . ?
O2 Pr1 O8 73.29(5) . . ?
O9 Pr1 O8 48.22(4) . . ?
O5 Pr1 O8 109.81(5) . . ?
O6 Pr1 O8 108.31(5) . . ?
O3 Pr1 O8 68.19(5) . . ?
O12 Pr1 O4 76.13(5) 3_676 . ?
O1 Pr1 O4 117.46(4) . . ?
O11 Pr1 O4 155.07(5) . . ?
O2 Pr1 O4 60.61(4) . . ?
O9 Pr1 O4 70.46(5) . . ?
O5 Pr1 O4 113.72(4) . . ?
O6 Pr1 O4 69.20(4) . . ?
O3 Pr1 O4 133.22(4) . . ?
O8 Pr1 O4 66.40(5) . . ?
O2 Cu1 O1 78.84(5) . . ?
O2 Cu1 N2 161.50(6) . . ?
O1 Cu1 N2 90.19(6) . . ?
O2 Cu1 N1 92.21(6) . . ?
O1 Cu1 N1 168.33(6) . . ?
N2 Cu1 N1 96.40(7) . . ?
O2 Cu1 N5 99.27(6) . 2_545 ?
O1 Cu1 N5 92.43(5) . 2_545 ?
N2 Cu1 N5 96.01(6) . 2_545 ?
N1 Cu1 N5 96.43(6) . 2_545 ?
O2 C1 C6 123.38(17) . . ?
O2 C1 C2 119.05(16) . . ?
C6 C1 C2 117.56(17) . . ?
O4 C2 C3 124.04(18) . . ?
O4 C2 C1 114.53(16) . . ?
C3 C2 C1 121.43(19) . . ?
C2 C3 C4 120.2(2) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C5 C4 C3 119.4(2) . . ?
C5 C4 H4A 120.3 . . ?
C3 C4 H4A 120.3 . . ?
C4 C5 C6 121.4(2) . . ?
C4 C5 H5A 119.3 . . ?
C6 C5 H5A 119.3 . . ?
C1 C6 C5 119.99(19) . . ?
C1 C6 C7 123.36(18) . . ?
C5 C6 C7 116.63(18) . . ?
N1 C7 C6 128.84(18) . . ?
N1 C7 H7A 115.6 . . ?
C6 C7 H7A 115.6 . . ?
N1 C8 C9 115.5(2) . . ?
N1 C8 H8A 108.4 . . ?
C9 C8 H8A 108.4 . . ?
N1 C8 H8B 108.4 . . ?
C9 C8 H8B 108.4 . . ?
H8A C8 H8B 107.5 . . ?
C10 C9 C8 114.1(2) . . ?
C10 C9 H9A 108.7 . . ?
C8 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
C8 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
N2 C10 C9 111.42(19) . . ?
N2 C10 H10A 109.3 . . ?
C9 C10 H10A 109.3 . . ?
N2 C10 H10B 109.3 . . ?
C9 C10 H10B 109.3 . . ?
H10A C10 H10B 108.0 . . ?
N2 C11 C12 127.53(17) . . ?
N2 C11 H11A 116.2 . . ?
C12 C11 H11A 116.2 . . ?
C17 C12 C13 120.14(18) . . ?
C17 C12 C11 122.40(17) . . ?
C13 C12 C11 117.18(17) . . ?
C14 C13 C12 120.68(19) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C13 C14 C15 119.84(18) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C16 C15 C14 120.14(19) . . ?
C16 C15 H15A 119.9 . . ?
C14 C15 H15A 119.9 . . ?
C15 C16 O3 124.50(17) . . ?
C15 C16 C17 121.38(17) . . ?
O3 C16 C17 114.10(15) . . ?
O1 C17 C12 123.47(16) . . ?
O1 C17 C16 118.72(15) . . ?
C12 C17 C16 117.79(16) . . ?
O4 C18 H18A 109.5 . . ?
O4 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O4 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O3 C19 H19A 109.5 . . ?
O3 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O3 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O12 C20 O11 125.69(16) . . ?
O12 C20 C21 116.56(16) . . ?
O11 C20 C21 117.72(15) . . ?
C22 C21 C25 118.43(16) . . ?
C22 C21 C20 120.17(16) . . ?
C25 C21 C20 121.33(16) . . ?
C21 C22 C23 118.95(16) . . ?
C21 C22 H22A 120.5 . . ?
C23 C22 H22A 120.5 . . ?
N5 C23 C22 123.24(17) . . ?
N5 C23 H23A 118.4 . . ?
C22 C23 H23A 118.4 . . ?
N5 C24 C25 123.25(17) . . ?
N5 C24 H24A 118.4 . . ?
C25 C24 H24A 118.4 . . ?
C21 C25 C24 118.98(17) . . ?
C21 C25 H25A 120.5 . . ?
C24 C25 H25A 120.5 . . ?
C7 N1 C8 113.66(18) . . ?
C7 N1 Cu1 123.01(14) . . ?
C8 N1 Cu1 123.30(15) . . ?
C11 N2 C10 115.73(17) . . ?
C11 N2 Cu1 123.57(14) . . ?
C10 N2 Cu1 120.58(14) . . ?
O7 N3 O5 121.85(18) . . ?
O7 N3 O6 121.37(17) . . ?
O5 N3 O6 116.77(16) . . ?
O10 N4 O8 121.99(19) . . ?
O10 N4 O9 120.89(19) . . ?
O8 N4 O9 117.09(17) . . ?
C24 N5 C23 117.12(15) . . ?
C24 N5 Cu1 124.36(12) . 2 ?
C23 N5 Cu1 118.42(12) . 2 ?
C17 O1 Cu1 125.82(11) . . ?
C17 O1 Pr1 124.68(10) . . ?
Cu1 O1 Pr1 109.46(5) . . ?
C1 O2 Cu1 127.39(11) . . ?
C1 O2 Pr1 124.69(11) . . ?
Cu1 O2 Pr1 107.46(5) . . ?
C16 O3 C19 116.43(16) . . ?
C16 O3 Pr1 116.45(10) . . ?
C19 O3 Pr1 126.39(13) . . ?
C2 O4 C18 115.81(15) . . ?
C2 O4 Pr1 117.32(11) . . ?
C18 O4 Pr1 126.70(12) . . ?
N3 O5 Pr1 96.96(11) . . ?
N3 O6 Pr1 96.88(11) . . ?
N4 O8 Pr1 94.52(11) . . ?
N4 O9 Pr1 99.88(11) . . ?
C20 O11 Pr1 128.96(11) . . ?
C20 O12 Pr1 153.68(13) . 3_676 ?
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 O12 2.3564(13) 3_676 ?
Pr1 O1 2.4402(12) . ?
Pr1 O11 2.4478(13) . ?
Pr1 O2 2.4931(13) . ?
Pr1 O9 2.5790(14) . ?
Pr1 O5 2.6182(14) . ?
Pr1 O6 2.6196(14) . ?
Pr1 O3 2.6816(13) . ?
Pr1 O8 2.6963(15) . ?
Pr1 O4 2.7062(13) . ?
Cu1 O2 1.9696(13) . ?
Cu1 O1 1.9704(12) . ?
Cu1 N2 1.9934(16) . ?
Cu1 N1 1.9955(17) . ?
Cu1 N5 2.3059(15) 2_545 ?
C1 O2 1.319(2) . ?
C1 C6 1.405(3) . ?
C1 C2 1.415(3) . ?
C2 O4 1.379(2) . ?
C2 C3 1.385(3) . ?
C3 C4 1.398(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.366(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.413(3) . ?
C5 H5A 0.9500 . ?
C6 C7 1.439(3) . ?
C7 N1 1.284(3) . ?
C7 H7A 0.9500 . ?
C8 N1 1.492(3) . ?
C8 C9 1.504(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.482(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 N2 1.470(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 N2 1.288(3) . ?
C11 C12 1.440(3) . ?
C11 H11A 0.9500 . ?
C12 C17 1.402(2) . ?
C12 C13 1.412(3) . ?
C13 C14 1.368(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.399(3) . ?
C14 H14A 0.9500 . ?
C15 C16 1.375(3) . ?
C15 H15A 0.9500 . ?
C16 O3 1.386(2) . ?
C16 C17 1.414(3) . ?
C17 O1 1.328(2) . ?
C18 O4 1.441(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 O3 1.438(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 O12 1.253(2) . ?
C20 O11 1.257(2) . ?
C20 C21 1.512(2) . ?
C21 C22 1.383(2) . ?
C21 C25 1.384(2) . ?
C22 C23 1.386(2) . ?
C22 H22A 0.9500 . ?
C23 N5 1.343(2) . ?
C23 H23A 0.9500 . ?
C24 N5 1.340(2) . ?
C24 C25 1.386(3) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
N3 O7 1.224(2) . ?
N3 O5 1.264(2) . ?
N3 O6 1.265(2) . ?
N4 O10 1.221(2) . ?
N4 O8 1.259(2) . ?
N4 O9 1.271(2) . ?
N5 Cu1 2.3059(15) 2 ?
O12 Pr1 2.3564(13) 3_676 ?
