#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:27:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179845 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/41/7014113.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_7014113
loop_
_publ_author_name
'Ouellette, Wayne'
'Koo, Bon-Kweon'
'Burkholder, Eric'
'Golub, Vladimir'
'O'Connor, C J'
'Zubieta, Jon'
_publ_section_title
;
 Solid state coordination chemistry: structural consequences of
 variations in tether length in the
 oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy
 = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1527
_journal_page_last               1538
_journal_paper_doi               10.1039/b401669f
_journal_year                    2004
_chemical_formula_sum            'C18 H20 Cu N3 O12 P2 V2'
_chemical_formula_weight         697.73
_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                80.291(1)
_cell_angle_beta                 82.879(1)
_cell_angle_gamma                73.855(1)
_cell_formula_units_Z            2
_cell_length_a                   9.4256(5)
_cell_length_b                   11.3275(6)
_cell_length_c                   11.4321(6)
_cell_measurement_reflns_used    15182
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.68
_cell_measurement_theta_min      1.89
_cell_volume                     1151.82(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL and CrystalMaker 5.x'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'APEX CCD area detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0671
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15182
_diffrn_reflns_theta_full        31.68
_diffrn_reflns_theta_max         31.68
_diffrn_reflns_theta_min         1.89
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0.001
_exptl_absorpt_coefficient_mu    1.922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS SHELXL-97 (SHELDRICK, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.012
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.148
_refine_diff_density_min         -1.076
_refine_diff_density_rms         0.147
_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     343
_refine_ls_number_reflns         7583
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0486
_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)+(0.0506P)²+1.2742P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1193
_reflns_number_gt                5843
_reflns_number_total             7583
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401669f.txt
_cod_data_source_block           Compound_3
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014113
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.56978(4) 0.30988(3) 0.11295(3) 0.00803(9) Uani 1 1 d . . .
V1 V 0.94178(6) -0.08899(5) 0.25524(4) 0.00944(11) Uani 1 1 d . . .
V2 V 0.60438(5) 0.16018(5) 0.40453(4) 0.00759(10) Uani 1 1 d . . .
P1 P 0.88077(8) 0.16414(7) 0.20721(7) 0.00826(14) Uani 1 1 d . . .
P2 P 0.70441(8) -0.13853(7) 0.47460(7) 0.00813(14) Uani 1 1 d . . .
O1 O 0.6629(2) -0.00342(19) 0.49695(18) 0.0093(4) Uani 1 1 d . . .
O2 O 0.7894(2) -0.1551(2) 0.35232(19) 0.0113(4) Uani 1 1 d . . .
O3 O 0.5691(2) -0.18902(19) 0.48071(18) 0.0089(4) Uani 1 1 d . . .
O4 O 0.5171(2) 0.1961(2) 0.28165(19) 0.0109(4) Uani 1 1 d . . .
O5 O 0.7789(2) 0.2623(2) 0.12695(18) 0.0105(4) Uani 1 1 d . . .
O6 O 0.9843(2) 0.0567(2) 0.14601(19) 0.0123(4) Uani 1 1 d . . .
O7 O 0.8006(2) 0.08672(19) 0.30593(19) 0.0099(4) Uani 1 1 d . . .
O9 O 1.0822(2) -0.1368(2) 0.3340(2) 0.0138(4) Uani 1 1 d . . .
O10 O 0.9675(3) -0.1812(2) 0.1550(2) 0.0147(4) Uani 1 1 d . . .
O11 O 0.6648(2) 0.2751(2) 0.42444(19) 0.0123(4) Uani 1 1 d . . .
O90 O 0.8338(5) 0.4343(4) 0.4900(4) 0.0629(11) Uani 1 1 d . . .
O91 O 0.9659(5) 0.5857(4) 0.3325(4) 0.0611(11) Uani 1 1 d . . .
N1 N 0.5147(3) 0.4670(2) 0.1903(2) 0.0095(5) Uani 1 1 d . . .
N2 N 0.3693(3) 0.3791(2) 0.0687(2) 0.0091(5) Uani 1 1 d . . .
N3 N 0.5637(3) 0.1973(2) -0.0054(2) 0.0108(5) Uani 1 1 d . . .
C1 C 0.5988(3) 0.5031(3) 0.2566(3) 0.0116(6) Uani 1 1 d . . .
H1 H 0.6977 0.4591 0.2610 0.014 Uiso 1 1 calc R . .
C2 C 0.5442(4) 0.6027(3) 0.3183(3) 0.0150(6) Uani 1 1 d . . .
H2 H 0.6048 0.6245 0.3645 0.018 Uiso 1 1 calc R . .
C3 C 0.3980(4) 0.6701(3) 0.3105(3) 0.0177(7) Uani 1 1 d . . .
H3 H 0.3595 0.7387 0.3504 0.021 Uiso 1 1 calc R . .
C4 C 0.3092(4) 0.6338(3) 0.2423(3) 0.0155(6) Uani 1 1 d . . .
H4 H 0.2105 0.6776 0.2359 0.019 Uiso 1 1 calc R . .
C5 C 0.3704(3) 0.5319(3) 0.1848(3) 0.0107(5) Uani 1 1 d . . .
C6 C 0.2870(3) 0.4826(3) 0.1111(3) 0.0097(5) Uani 1 1 d . . .
C7 C 0.1413(3) 0.5341(3) 0.0846(3) 0.0104(5) Uani 1 1 d . . .
H7 H 0.0856 0.6066 0.1132 0.012 Uiso 1 1 calc R . .
C8 C 0.0790(3) 0.4747(3) 0.0138(3) 0.0090(5) Uani 1 1 d . . .
C9 C 0.1685(3) 0.3667(3) -0.0302(3) 0.0103(5) Uani 1 1 d . . .
H9 H 0.1300 0.3254 -0.0772 0.012 Uiso 1 1 calc R . .
C10 C 0.3150(3) 0.3230(3) -0.0022(3) 0.0103(5) Uani 1 1 d . . .
C11 C 0.4288(3) 0.2175(3) -0.0469(3) 0.0103(5) Uani 1 1 d . . .
C12 C 0.4050(3) 0.1487(3) -0.1280(3) 0.0135(6) Uani 1 1 d . . .
H12 H 0.3114 0.1634 -0.1545 0.016 Uiso 1 1 calc R . .
C13 C 0.5234(4) 0.0572(3) -0.1693(3) 0.0149(6) Uani 1 1 d . . .
H13 H 0.5102 0.0100 -0.2242 0.018 Uiso 1 1 calc R . .
C14 C 0.6609(4) 0.0373(3) -0.1279(3) 0.0145(6) Uani 1 1 d . . .
H14 H 0.7412 -0.0237 -0.1545 0.017 Uiso 1 1 calc R . .
C15 C 0.6780(3) 0.1089(3) -0.0465(3) 0.0121(6) Uani 1 1 d . . .
H15 H 0.7709 0.0957 -0.0194 0.015 Uiso 1 1 calc R . .
C16 C 0.8179(3) -0.2272(3) 0.5903(3) 0.0120(6) Uani 1 1 d . . .
H16A H 0.7542 -0.2461 0.6603 0.014 Uiso 1 1 calc R . .
H16B H 0.8746 -0.3053 0.5645 0.014 Uiso 1 1 calc R . .
C17 C 1.0748(3) 0.1616(3) 0.3752(3) 0.0111(5) Uani 1 1 d . . .
H17A H 1.1299 0.0816 0.3528 0.013 Uiso 1 1 calc R . .
H17B H 1.0059 0.1476 0.4431 0.013 Uiso 1 1 calc R . .
C18 C 0.9890(3) 0.2401(3) 0.2712(3) 0.0122(6) Uani 1 1 d . . .
H18A H 1.0590 0.2658 0.2094 0.015 Uiso 1 1 calc R . .
H18B H 0.9236 0.3145 0.2986 0.015 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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'
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
O5 Cu1 N2 167.99(10) . . ?
O5 Cu1 N3 98.54(10) . . ?
N2 Cu1 N3 79.67(10) . . ?
O5 Cu1 N1 99.11(10) . . ?
N2 Cu1 N1 80.13(10) . . ?
N3 Cu1 N1 157.40(10) . . ?
O5 Cu1 O4 94.81(8) . . ?
N2 Cu1 O4 97.19(9) . . ?
N3 Cu1 O4 100.16(9) . . ?
N1 Cu1 O4 92.30(9) . . ?
O9 V1 O10 107.30(12) . . ?
O9 V1 O2 103.85(11) . . ?
O10 V1 O2 95.17(10) . . ?
O9 V1 O6 103.27(11) . . ?
O10 V1 O6 96.95(10) . . ?
O2 V1 O6 145.36(9) . . ?
O9 V1 O7 109.73(10) . . ?
O10 V1 O7 142.37(10) . . ?
O2 V1 O7 82.45(9) . . ?
O6 V1 O7 68.32(8) . . ?
O11 V2 O4 109.86(11) . . ?
O11 V2 O1 122.79(10) . . ?
O4 V2 O1 126.33(10) . . ?
O11 V2 O3 97.30(10) . 2_656 ?
O4 V2 O3 98.23(10) . 2_656 ?
O1 V2 O3 85.53(9) . 2_656 ?
O11 V2 O7 90.93(10) . . ?
O4 V2 O7 89.40(9) . . ?
O1 V2 O7 80.61(9) . . ?
O3 V2 O7 166.11(9) 2_656 . ?
O5 P1 O6 115.20(12) . . ?
O5 P1 O7 114.74(12) . . ?
O6 P1 O7 98.77(12) . . ?
O5 P1 C18 107.37(13) . . ?
O6 P1 C18 109.64(14) . . ?
O7 P1 C18 110.96(13) . . ?
O3 P2 O1 112.41(12) . . ?
O3 P2 O2 107.69(12) . . ?
O1 P2 O2 111.82(12) . . ?
O3 P2 C16 108.13(13) . . ?
O1 P2 C16 106.68(13) . . ?
O2 P2 C16 110.05(14) . . ?
P2 O1 V2 137.48(13) . . ?
P2 O2 V1 136.16(13) . . ?
P2 O3 V2 126.90(12) . 2_656 ?
V2 O4 Cu1 128.20(12) . . ?
P1 O5 Cu1 134.22(14) . . ?
P1 O6 V1 100.40(11) . . ?
P1 O7 V2 124.58(12) . . ?
P1 O7 V1 92.14(10) . . ?
V2 O7 V1 141.81(11) . . ?
C1 N1 C5 118.2(3) . . ?
C1 N1 Cu1 127.1(2) . . ?
C5 N1 Cu1 114.12(19) . . ?
C10 N2 C6 121.5(3) . . ?
C10 N2 Cu1 119.6(2) . . ?
C6 N2 Cu1 119.0(2) . . ?
C15 N3 C11 118.8(3) . . ?
C15 N3 Cu1 126.8(2) . . ?
C11 N3 Cu1 114.4(2) . . ?
N1 C1 C2 122.5(3) . . ?
C1 C2 C3 119.1(3) . . ?
C2 C3 C4 119.1(3) . . ?
C5 C4 C3 118.6(3) . . ?
N1 C5 C4 122.4(3) . . ?
N1 C5 C6 113.7(3) . . ?
C4 C5 C6 123.9(3) . . ?
N2 C6 C7 121.2(3) . . ?
N2 C6 C5 112.6(3) . . ?
C7 C6 C5 126.2(3) . . ?
C6 C7 C8 118.8(3) . . ?
C7 C8 C9 118.8(3) . . ?
C7 C8 C8 120.4(3) . 2_565 ?
C9 C8 C8 120.9(3) . 2_565 ?
C10 C9 C8 118.9(3) . . ?
N2 C10 C9 120.9(3) . . ?
N2 C10 C11 112.2(3) . . ?
C9 C10 C11 126.9(3) . . ?
N3 C11 C12 122.0(3) . . ?
N3 C11 C10 113.8(3) . . ?
C12 C11 C10 124.2(3) . . ?
C11 C12 C13 118.8(3) . . ?
C14 C13 C12 119.3(3) . . ?
C13 C14 C15 119.3(3) . . ?
N3 C15 C14 121.9(3) . . ?
C17 C16 P2 113.9(2) 2_756 . ?
C18 C17 C16 110.5(2) . 2_756 ?
C17 C18 P1 115.0(2) . . ?
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
Cu1 O5 1.913(2) . ?
Cu1 N2 1.929(2) . ?
Cu1 N3 2.026(3) . ?
Cu1 N1 2.030(3) . ?
Cu1 O4 2.215(2) . ?
V1 O9 1.609(2) . ?
V1 O10 1.630(2) . ?
V1 O2 1.944(2) . ?
V1 O6 1.998(2) . ?
V1 O7 2.189(2) . ?
V2 O11 1.617(2) . ?
V2 O4 1.650(2) . ?
V2 O1 1.942(2) . ?
V2 O3 1.954(2) 2_656 ?
V2 O7 2.081(2) . ?
P1 O5 1.510(2) . ?
P1 O6 1.543(2) . ?
P1 O7 1.561(2) . ?
P1 C18 1.789(3) . ?
P2 O3 1.526(2) . ?
P2 O1 1.528(2) . ?
P2 O2 1.536(2) . ?
P2 C16 1.791(3) . ?
O3 V2 1.954(2) 2_656 ?
N1 C1 1.343(4) . ?
N1 C5 1.358(4) . ?
N2 C10 1.334(4) . ?
N2 C6 1.343(4) . ?
N3 C15 1.348(4) . ?
N3 C11 1.358(4) . ?
C1 C2 1.375(4) . ?
C2 C3 1.383(5) . ?
C3 C4 1.392(4) . ?
C4 C5 1.374(4) . ?
C5 C6 1.486(4) . ?
C6 C7 1.384(4) . ?
C7 C8 1.404(4) . ?
C8 C9 1.411(4) . ?
C8 C8 1.492(6) 2_565 ?
C9 C10 1.390(4) . ?
C10 C11 1.482(4) . ?
C11 C12 1.382(4) . ?
C12 C13 1.391(4) . ?
C13 C14 1.381(4) . ?
C14 C15 1.384(4) . ?
C16 C17 1.531(4) 2_756 ?
C17 C18 1.530(4) . ?
C17 C16 1.531(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 P2 O1 V2 -86.3(2) . . . . ?
O2 P2 O1 V2 34.9(2) . . . . ?
C16 P2 O1 V2 155.29(19) . . . . ?
O11 V2 O1 P2 -139.22(19) . . . . ?
O4 V2 O1 P2 28.0(2) . . . . ?
O3 V2 O1 P2 125.0(2) 2_656 . . . ?
O7 V2 O1 P2 -54.22(19) . . . . ?
O3 P2 O2 V1 163.62(18) . . . . ?
O1 P2 O2 V1 39.7(2) . . . . ?
C16 P2 O2 V1 -78.7(2) . . . . ?
O9 V1 O2 P2 63.0(2) . . . . ?
O10 V1 O2 P2 172.3(2) . . . . ?
O6 V1 O2 P2 -77.6(3) . . . . ?
O7 V1 O2 P2 -45.55(19) . . . . ?
O1 P2 O3 V2 -41.03(19) . . . 2_656 ?
O2 P2 O3 V2 -164.64(14) . . . 2_656 ?
C16 P2 O3 V2 76.47(19) . . . 2_656 ?
O11 V2 O4 Cu1 35.29(18) . . . . ?
O1 V2 O4 Cu1 -133.35(13) . . . . ?
O3 V2 O4 Cu1 136.16(14) 2_656 . . . ?
O7 V2 O4 Cu1 -55.48(14) . . . . ?
O5 Cu1 O4 V2 31.69(16) . . . . ?
N2 Cu1 O4 V2 -147.98(15) . . . . ?
N3 Cu1 O4 V2 131.28(15) . . . . ?
N1 Cu1 O4 V2 -67.65(16) . . . . ?
O6 P1 O5 Cu1 110.05(19) . . . . ?
O7 P1 O5 Cu1 -3.7(2) . . . . ?
C18 P1 O5 Cu1 -127.51(19) . . . . ?
N2 Cu1 O5 P1 -170.4(4) . . . . ?
N3 Cu1 O5 P1 -89.9(2) . . . . ?
N1 Cu1 O5 P1 104.31(19) . . . . ?
O4 Cu1 O5 P1 11.19(19) . . . . ?
O5 P1 O6 V1 -128.23(12) . . . . ?
O7 P1 O6 V1 -5.51(13) . . . . ?
C18 P1 O6 V1 110.56(13) . . . . ?
O9 V1 O6 P1 -102.06(13) . . . . ?
O10 V1 O6 P1 148.28(12) . . . . ?
O2 V1 O6 P1 38.6(2) . . . . ?
O7 V1 O6 P1 4.17(10) . . . . ?
O5 P1 O7 V2 -40.83(19) . . . . ?
O6 P1 O7 V2 -163.88(14) . . . . ?
C18 P1 O7 V2 81.07(17) . . . . ?
O5 P1 O7 V1 128.00(11) . . . . ?
O6 P1 O7 V1 4.94(11) . . . . ?
C18 P1 O7 V1 -110.10(12) . . . . ?
O11 V2 O7 P1 -44.66(16) . . . . ?
O4 V2 O7 P1 65.19(16) . . . . ?
O1 V2 O7 P1 -167.78(16) . . . . ?
O3 V2 O7 P1 -171.2(3) 2_656 . . . ?
O11 V2 O7 V1 153.59(18) . . . . ?
O4 V2 O7 V1 -96.56(18) . . . . ?
O1 V2 O7 V1 30.47(17) . . . . ?
O3 V2 O7 V1 27.1(5) 2_656 . . . ?
O9 V1 O7 P1 92.82(12) . . . . ?
O10 V1 O7 P1 -76.45(18) . . . . ?
O2 V1 O7 P1 -165.12(11) . . . . ?
O6 V1 O7 P1 -4.06(9) . . . . ?
O9 V1 O7 V2 -102.14(18) . . . . ?
O10 V1 O7 V2 88.6(2) . . . . ?
O2 V1 O7 V2 -0.07(17) . . . . ?
O6 V1 O7 V2 161.0(2) . . . . ?
O5 Cu1 N1 C1 -14.6(3) . . . . ?
N2 Cu1 N1 C1 177.6(3) . . . . ?
N3 Cu1 N1 C1 -155.5(3) . . . . ?
O4 Cu1 N1 C1 80.7(3) . . . . ?
O5 Cu1 N1 C5 174.1(2) . . . . ?
N2 Cu1 N1 C5 6.3(2) . . . . ?
N3 Cu1 N1 C5 33.2(4) . . . . ?
O4 Cu1 N1 C5 -90.6(2) . . . . ?
O5 Cu1 N2 C10 88.4(5) . . . . ?
N3 Cu1 N2 C10 5.9(2) . . . . ?
N1 Cu1 N2 C10 175.8(2) . . . . ?
O4 Cu1 N2 C10 -93.1(2) . . . . ?
O5 Cu1 N2 C6 -92.1(5) . . . . ?
N3 Cu1 N2 C6 -174.6(2) . . . . ?
N1 Cu1 N2 C6 -4.8(2) . . . . ?
O4 Cu1 N2 C6 86.3(2) . . . . ?
O5 Cu1 N3 C15 6.0(3) . . . . ?
N2 Cu1 N3 C15 174.0(3) . . . . ?
N1 Cu1 N3 C15 147.0(3) . . . . ?
O4 Cu1 N3 C15 -90.5(3) . . . . ?
O5 Cu1 N3 C11 -172.8(2) . . . . ?
N2 Cu1 N3 C11 -4.8(2) . . . . ?
N1 Cu1 N3 C11 -31.8(4) . . . . ?
O4 Cu1 N3 C11 90.7(2) . . . . ?
C5 N1 C1 C2 -0.1(5) . . . . ?
Cu1 N1 C1 C2 -171.0(2) . . . . ?
N1 C1 C2 C3 -1.2(5) . . . . ?
C1 C2 C3 C4 1.2(5) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C1 N1 C5 C4 1.3(5) . . . . ?
Cu1 N1 C5 C4 173.4(3) . . . . ?
C1 N1 C5 C6 -178.8(3) . . . . ?
Cu1 N1 C5 C6 -6.7(3) . . . . ?
C3 C4 C5 N1 -1.2(5) . . . . ?
C3 C4 C5 C6 178.9(3) . . . . ?
C10 N2 C6 C7 1.2(4) . . . . ?
Cu1 N2 C6 C7 -178.3(2) . . . . ?
C10 N2 C6 C5 -178.1(3) . . . . ?
Cu1 N2 C6 C5 2.5(3) . . . . ?
N1 C5 C6 N2 3.0(4) . . . . ?
C4 C5 C6 N2 -177.1(3) . . . . ?
N1 C5 C6 C7 -176.2(3) . . . . ?
C4 C5 C6 C7 3.7(5) . . . . ?
N2 C6 C7 C8 1.2(4) . . . . ?
C5 C6 C7 C8 -179.7(3) . . . . ?
C6 C7 C8 C9 -1.6(4) . . . . ?
C6 C7 C8 C8 178.2(3) . . . 2_565 ?
C7 C8 C9 C10 -0.1(4) . . . . ?
C8 C8 C9 C10 -180.0(3) 2_565 . . . ?
C6 N2 C10 C9 -3.0(4) . . . . ?
Cu1 N2 C10 C9 176.4(2) . . . . ?
C6 N2 C10 C11 174.9(3) . . . . ?
Cu1 N2 C10 C11 -5.7(3) . . . . ?
C8 C9 C10 N2 2.5(4) . . . . ?
C8 C9 C10 C11 -175.1(3) . . . . ?
C15 N3 C11 C12 1.3(5) . . . . ?
Cu1 N3 C11 C12 -179.9(2) . . . . ?
C15 N3 C11 C10 -175.6(3) . . . . ?
Cu1 N3 C11 C10 3.3(3) . . . . ?
N2 C10 C11 N3 1.3(4) . . . . ?
C9 C10 C11 N3 179.0(3) . . . . ?
N2 C10 C11 C12 -175.5(3) . . . . ?
C9 C10 C11 C12 2.2(5) . . . . ?
N3 C11 C12 C13 -0.9(5) . . . . ?
C10 C11 C12 C13 175.7(3) . . . . ?
C11 C12 C13 C14 0.3(5) . . . . ?
C12 C13 C14 C15 -0.2(5) . . . . ?
C11 N3 C15 C14 -1.1(5) . . . . ?
Cu1 N3 C15 C14 -179.9(2) . . . . ?
C13 C14 C15 N3 0.6(5) . . . . ?
O3 P2 C16 C17 -159.3(2) . . . 2_756 ?
O1 P2 C16 C17 -38.2(3) . . . 2_756 ?
O2 P2 C16 C17 83.3(2) . . . 2_756 ?
C16 C17 C18 P1 170.9(2) 2_756 . . . ?
O5 P1 C18 C17 167.4(2) . . . . ?
O6 P1 C18 C17 -66.8(3) . . . . ?
O7 P1 C18 C17 41.3(3) . . . . ?
