#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:40:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179418 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/15/4331518.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331518
loop_
_publ_author_name
'Halper, Sara R.'
'Cohen, Seth M.'
_publ_section_title
;
 Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes
 Directed by Fluorine−Fluorine Interactions
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4139
_journal_page_last               4141
_journal_paper_doi               10.1021/ic0504442
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C23 H19 Cu N3 O2'
_chemical_formula_weight         432.95
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.7450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.4016(5)
_cell_length_b                   28.5805(18)
_cell_length_c                   16.3187(10)
_cell_measurement_reflns_used    2965
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.48
_cell_volume                     3898.8(4)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0779
_diffrn_reflns_av_sigmaI/netI    0.0816
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            32963
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    1.145
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.831026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.672
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         8749
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0667
_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)+(0.0473P)²+2.8300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1288
_reflns_number_gt                6398
_reflns_number_total             8749
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0504442sup1.cif
_cod_data_source_block           '[Cu(3-quindpm)(acac)]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P2(1)/c
_cod_database_code               4331518
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.3630(5) 0.74538(13) 0.4557(3) 0.0186(9) Uani 1 1 d .
H1 H 0.2811 0.7575 0.4858 0.022 Uiso 1 1 calc R
C2 C 0.4935(5) 0.77193(14) 0.4334(3) 0.0221(9) Uani 1 1 d .
H2 H 0.5138 0.8041 0.4447 0.027 Uiso 1 1 calc R
C3 C 0.5848(5) 0.74218(14) 0.3925(3) 0.0197(9) Uani 1 1 d .
H3 H 0.6820 0.7496 0.3703 0.024 Uiso 1 1 calc R
C4 C 0.5073(4) 0.69784(13) 0.3895(2) 0.0147(8) Uani 1 1 d .
C5 C 0.5542(4) 0.65690(13) 0.3520(2) 0.0142(8) Uani 1 1 d .
C6 C 0.4708(4) 0.61460(13) 0.3469(2) 0.0127(8) Uani 1 1 d .
C7 C 0.5130(4) 0.57285(13) 0.3071(2) 0.0150(8) Uani 1 1 d .
H7 H 0.6069 0.5678 0.2804 0.018 Uiso 1 1 calc R
C8 C 0.3929(5) 0.54126(13) 0.3144(2) 0.0172(9) Uani 1 1 d .
H8 H 0.3872 0.5102 0.2937 0.021 Uiso 1 1 calc R
C9 C 0.2793(5) 0.56386(13) 0.3588(2) 0.0169(8) Uani 1 1 d .
H9 H 0.1826 0.5500 0.3724 0.020 Uiso 1 1 calc R
C10 C -0.2915(4) 0.65885(13) 0.3129(2) 0.0158(8) Uani 1 1 d .
C11 C -0.1454(4) 0.66273(13) 0.3641(2) 0.0170(8) Uani 1 1 d .
H11 H -0.1507 0.6640 0.4220 0.020 Uiso 1 1 calc R
C12 C 0.0035(5) 0.66251(12) 0.2534(2) 0.0160(8) Uani 1 1 d .
C13 C 0.1551(5) 0.66602(13) 0.2221(3) 0.0185(9) Uani 1 1 d .
H13 H 0.2487 0.6710 0.2588 0.022 Uiso 1 1 calc R
C14 C 0.1666(5) 0.66235(13) 0.1401(3) 0.0211(9) Uani 1 1 d .
H14 H 0.2682 0.6648 0.1196 0.025 Uiso 1 1 calc R
C15 C 0.0283(5) 0.65487(14) 0.0848(3) 0.0240(9) Uani 1 1 d .
H15 H 0.0381 0.6511 0.0277 0.029 Uiso 1 1 calc R
C16 C -0.1185(5) 0.65304(14) 0.1127(3) 0.0224(9) Uani 1 1 d .
H16 H -0.2109 0.6491 0.0748 0.027 Uiso 1 1 calc R
C17 C -0.1346(5) 0.65694(13) 0.1976(2) 0.0172(8) Uani 1 1 d .
C18 C -0.2855(5) 0.65509(13) 0.2300(3) 0.0182(9) Uani 1 1 d .
H18 H -0.3810 0.6513 0.1942 0.022 Uiso 1 1 calc R
C19 C -0.0333(5) 0.72058(14) 0.6263(3) 0.0246(10) Uani 1 1 d .
H19A H 0.0590 0.7384 0.6510 0.037 Uiso 1 1 calc R
H19B H -0.0937 0.7082 0.6698 0.037 Uiso 1 1 calc R
H19C H -0.1025 0.7412 0.5902 0.037 Uiso 1 1 calc R
C20 C 0.0234(4) 0.68089(14) 0.5768(2) 0.0167(8) Uani 1 1 d .
C21 C -0.0234(4) 0.63530(13) 0.5931(2) 0.0170(8) Uani 1 1 d .
H21 H -0.0861 0.6306 0.6377 0.020 Uiso 1 1 calc R
C22 C 0.0156(4) 0.59630(14) 0.5483(2) 0.0166(8) Uani 1 1 d .
C23 C -0.0451(5) 0.54857(14) 0.5700(3) 0.0225(9) Uani 1 1 d .
H23A H -0.1192 0.5369 0.5244 0.034 Uiso 1 1 calc R
H23B H -0.1008 0.5509 0.6198 0.034 Uiso 1 1 calc R
H23C H 0.0453 0.5270 0.5799 0.034 Uiso 1 1 calc R
C24 C 0.1343(4) 0.69623(13) 0.8209(2) 0.0177(9) Uani 1 1 d .
H24 H 0.2213 0.7148 0.8070 0.021 Uiso 1 1 calc R
C25 C 0.0063(5) 0.71343(14) 0.8621(3) 0.0202(9) Uani 1 1 d .
H25 H -0.0075 0.7446 0.8806 0.024 Uiso 1 1 calc R
C26 C -0.0935(4) 0.67635(13) 0.8701(2) 0.0171(8) Uani 1 1 d .
H26 H -0.1909 0.6768 0.8950 0.021 Uiso 1 1 calc R
C27 C -0.0240(4) 0.63676(13) 0.8338(2) 0.0124(8) Uani 1 1 d .
C28 C -0.0776(4) 0.59079(13) 0.8329(2) 0.0134(8) Uani 1 1 d .
C29 C 0.0005(4) 0.55213(13) 0.8032(2) 0.0135(8) Uani 1 1 d .
C30 C -0.0454(5) 0.50447(13) 0.8043(2) 0.0177(9) Uani 1 1 d .
H30 H -0.1383 0.4923 0.8253 0.021 Uiso 1 1 calc R
C31 C 0.0687(5) 0.47927(13) 0.7695(3) 0.0190(9) Uani 1 1 d .
H31 H 0.0709 0.4463 0.7617 0.023 Uiso 1 1 calc R
C32 C 0.1823(5) 0.51196(14) 0.7477(3) 0.0198(9) Uani 1 1 d .
H32 H 0.2758 0.5039 0.7226 0.024 Uiso 1 1 calc R
C33 C -0.2324(4) 0.58315(13) 0.8692(2) 0.0145(8) Uani 1 1 d .
C34 C 0.6233(4) 0.59732(13) 0.8233(2) 0.0154(8) Uani 1 1 d .
H34 H 0.6295 0.6088 0.7690 0.019 Uiso 1 1 calc R
C35 C 0.4724(5) 0.57993(13) 0.9296(2) 0.0157(8) Uani 1 1 d .
C36 C 0.3227(5) 0.57921(14) 0.9623(3) 0.0204(9) Uani 1 1 d .
H36 H 0.2296 0.5900 0.9300 0.024 Uiso 1 1 calc R
C37 C 0.3119(5) 0.56308(14) 1.0404(3) 0.0212(9) Uani 1 1 d .
H37 H 0.2109 0.5627 1.0618 0.025 Uiso 1 1 calc R
C38 C 0.4469(5) 0.54712(15) 1.0890(3) 0.0243(10) Uani 1 1 d .
H38 H 0.4368 0.5358 1.1430 0.029 Uiso 1 1 calc R
C39 C 0.5928(5) 0.54759(14) 1.0597(3) 0.0207(9) Uani 1 1 d .
H39 H 0.6840 0.5367 1.0935 0.025 Uiso 1 1 calc R
C40 C 0.6097(4) 0.56409(13) 0.9800(2) 0.0158(8) Uani 1 1 d .
C41 C -0.2410(4) 0.56623(13) 0.9463(2) 0.0169(8) Uani 1 1 d .
H41 H -0.1466 0.5558 0.9779 0.020 Uiso 1 1 calc R
C42 C 0.5224(5) 0.72457(16) 0.6520(3) 0.0312(11) Uani 1 1 d .
H42A H 0.4322 0.7465 0.6473 0.047 Uiso 1 1 calc R
H42B H 0.5807 0.7271 0.6031 0.047 Uiso 1 1 calc R
H42C H 0.5944 0.7321 0.7012 0.047 Uiso 1 1 calc R
C43 C 0.4608(5) 0.67540(15) 0.6588(3) 0.0221(9) Uani 1 1 d .
C44 C 0.5041(5) 0.64071(16) 0.6058(3) 0.0243(10) Uani 1 1 d .
H44 H 0.5702 0.6493 0.5643 0.029 Uiso 1 1 calc R
C45 C 0.4565(5) 0.59402(15) 0.6098(2) 0.0208(9) Uani 1 1 d .
C46 C 0.5081(6) 0.55901(17) 0.5484(3) 0.0327(12) Uani 1 1 d .
H46A H 0.5750 0.5349 0.5774 0.049 Uiso 1 1 calc R
H46B H 0.5693 0.5750 0.5087 0.049 Uiso 1 1 calc R
H46C H 0.4133 0.5443 0.5192 0.049 Uiso 1 1 calc R
Cu1 Cu 0.21438(5) 0.650904(16) 0.44779(3) 0.01417(12) Uani 1 1 d .
Cu2 Cu 0.26302(5) 0.612387(16) 0.74400(3) 0.01415(12) Uani 1 1 d .
N1 N 0.3683(3) 0.70154(11) 0.42968(19) 0.0139(7) Uani 1 1 d .
N2 N 0.3258(4) 0.60735(11) 0.37922(19) 0.0145(7) Uani 1 1 d .
N3 N -0.0031(4) 0.66472(11) 0.3372(2) 0.0180(7) Uani 1 1 d .
N4 N 0.1186(3) 0.65120(10) 0.80404(19) 0.0129(7) Uani 1 1 d .
N5 N 0.1435(4) 0.55545(11) 0.76638(19) 0.0140(7) Uani 1 1 d .
N6 N 0.4809(4) 0.59561(11) 0.8509(2) 0.0173(7) Uani 1 1 d .
O1 O 0.1109(3) 0.69263(9) 0.52024(16) 0.0171(6) Uani 1 1 d .
O2 O 0.1013(3) 0.59700(9) 0.48796(16) 0.0163(6) Uani 1 1 d .
O3 O 0.3706(3) 0.66951(9) 0.71598(17) 0.0195(6) Uani 1 1 d .
O4 O 0.3701(3) 0.57734(10) 0.66267(16) 0.0189(6) 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'
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
N1 C1 C2 112.0(4) . .
C3 C2 C1 106.3(3) . .
C2 C3 C4 107.1(3) . .
C5 C4 N1 123.7(3) . .
C5 C4 C3 127.9(3) . .
N1 C4 C3 108.5(3) . .
C4 C5 C6 126.2(3) . .
C4 C5 C10 116.7(3) . 1_655
C6 C5 C10 117.1(3) . 1_655
N2 C6 C5 124.0(3) . .
N2 C6 C7 108.4(3) . .
C5 C6 C7 127.5(3) . .
C8 C7 C6 107.2(3) . .
C7 C8 C9 106.6(3) . .
N2 C9 C8 111.0(3) . .
C18 C10 C11 118.4(4) . .
C18 C10 C5 122.5(4) . 1_455
C11 C10 C5 119.0(4) . 1_455
N3 C11 C10 124.6(4) . .
N3 C12 C17 122.3(4) . .
N3 C12 C13 118.7(4) . .
C17 C12 C13 119.0(4) . .
C14 C13 C12 120.3(4) . .
C13 C14 C15 120.4(4) . .
C16 C15 C14 120.5(4) . .
C15 C16 C17 120.5(4) . .
C16 C17 C12 119.3(4) . .
C16 C17 C18 122.6(4) . .
C12 C17 C18 118.0(4) . .
C10 C18 C17 119.3(4) . .
O1 C20 C21 125.1(4) . .
O1 C20 C19 115.3(3) . .
C21 C20 C19 119.6(4) . .
C22 C21 C20 124.3(4) . .
O2 C22 C21 125.0(4) . .
O2 C22 C23 115.1(3) . .
C21 C22 C23 119.9(3) . .
N4 C24 C25 112.0(3) . .
C26 C25 C24 106.2(3) . .
C25 C26 C27 107.2(3) . .
C28 C27 N4 124.3(3) . .
C28 C27 C26 127.5(3) . .
N4 C27 C26 108.0(3) . .
C27 C28 C29 126.1(3) . .
C27 C28 C33 115.3(3) . .
C29 C28 C33 118.6(3) . .
C28 C29 N5 123.3(3) . .
C28 C29 C30 128.2(3) . .
N5 C29 C30 108.5(3) . .
C31 C30 C29 107.4(3) . .
C30 C31 C32 106.1(3) . .
N5 C32 C31 112.1(3) . .
C41 C33 C34 118.0(3) . 1_455
C41 C33 C28 123.2(3) . .
C34 C33 C28 118.6(3) 1_455 .
N6 C34 C33 124.3(4) . 1_655
N6 C35 C36 119.4(4) . .
N6 C35 C40 122.1(3) . .
C36 C35 C40 118.5(4) . .
C37 C36 C35 120.1(4) . .
C36 C37 C38 121.0(4) . .
C39 C38 C37 120.5(4) . .
C38 C39 C40 120.4(4) . .
C39 C40 C41 123.2(4) . 1_655
C39 C40 C35 119.5(3) . .
C41 C40 C35 117.3(4) 1_655 .
C33 C41 C40 120.4(4) . 1_455
O3 C43 C44 125.1(4) . .
O3 C43 C42 114.4(4) . .
C44 C43 C42 120.5(4) . .
C43 C44 C45 124.0(4) . .
O4 C45 C44 125.0(4) . .
O4 C45 C46 115.0(4) . .
C44 C45 C46 120.0(4) . .
O1 Cu1 O2 91.00(11) . .
O1 Cu1 N2 177.14(12) . .
O2 Cu1 N2 88.11(12) . .
O1 Cu1 N1 88.92(12) . .
O2 Cu1 N1 166.00(12) . .
N2 Cu1 N1 91.29(13) . .
O1 Cu1 N3 90.18(11) . .
O2 Cu1 N3 91.27(11) . .
N2 Cu1 N3 92.56(12) . .
N1 Cu1 N3 102.73(12) . .
O3 Cu2 O4 90.82(11) . .
O3 Cu2 N5 176.28(12) . .
O4 Cu2 N5 88.87(12) . .
O3 Cu2 N4 88.17(12) . .
O4 Cu2 N4 166.66(12) . .
N5 Cu2 N4 91.28(13) . .
O3 Cu2 N6 90.00(11) . .
O4 Cu2 N6 91.23(11) . .
N5 Cu2 N6 93.72(12) . .
N4 Cu2 N6 102.07(12) . .
C1 N1 C4 106.1(3) . .
C1 N1 Cu1 126.8(3) . .
C4 N1 Cu1 127.0(2) . .
C9 N2 C6 106.8(3) . .
C9 N2 Cu1 125.8(3) . .
C6 N2 Cu1 127.2(2) . .
C11 N3 C12 117.3(3) . .
C11 N3 Cu1 112.3(3) . .
C12 N3 Cu1 128.3(2) . .
C24 N4 C27 106.6(3) . .
C24 N4 Cu2 126.7(3) . .
C27 N4 Cu2 126.6(2) . .
C32 N5 C29 106.0(3) . .
C32 N5 Cu2 126.2(3) . .
C29 N5 Cu2 127.8(2) . .
C34 N6 C35 117.8(3) . .
C34 N6 Cu2 112.8(3) . .
C35 N6 Cu2 128.9(2) . .
C20 O1 Cu1 127.0(3) . .
C22 O2 Cu1 126.9(2) . .
C43 O3 Cu2 127.6(3) . .
C45 O4 Cu2 126.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.325(5) .
C1 C2 1.410(5) .
C2 C3 1.364(5) .
C3 C4 1.423(5) .
C4 C5 1.395(5) .
C4 N1 1.400(5) .
C5 C6 1.395(5) .
C5 C10 1.503(5) 1_655
C6 N2 1.391(5) .
C6 C7 1.420(5) .
C7 C8 1.368(5) .
C8 C9 1.412(5) .
C9 N2 1.335(5) .
C10 C18 1.363(6) .
C10 C11 1.419(5) .
C10 C5 1.503(5) 1_455
C11 N3 1.316(5) .
C12 N3 1.375(5) .
C12 C17 1.411(5) .
C12 C13 1.422(5) .
C13 C14 1.356(6) .
C14 C15 1.414(6) .
C15 C16 1.358(6) .
C16 C17 1.409(6) .
C17 C18 1.423(5) .
C19 C20 1.497(5) .
C20 O1 1.281(4) .
C20 C21 1.394(5) .
C21 C22 1.390(5) .
C22 O2 1.277(4) .
C22 C23 1.511(5) .
C24 N4 1.320(5) .
C24 C25 1.412(5) .
C25 C26 1.366(5) .
C26 C27 1.428(5) .
C27 C28 1.388(5) .
C27 N4 1.400(4) .
C28 C29 1.397(5) .
C28 C33 1.498(5) .
C29 N5 1.399(5) .
C29 C30 1.416(5) .
C30 C31 1.367(5) .
C31 C32 1.406(5) .
C32 N5 1.328(5) .
C33 C41 1.356(5) .
C33 C34 1.419(5) 1_455
C34 N6 1.321(5) .
C34 C33 1.419(5) 1_655
C35 N6 1.368(5) .
C35 C36 1.415(5) .
C35 C40 1.422(5) .
C36 C37 1.366(6) .
C37 C38 1.394(6) .
C38 C39 1.360(6) .
C39 C40 1.404(5) .
C40 C41 1.421(5) 1_655
C41 C40 1.421(5) 1_455
C42 C43 1.506(6) .
C43 O3 1.271(5) .
C43 C44 1.388(6) .
C44 C45 1.396(6) .
C45 O4 1.275(5) .
C45 C46 1.509(6) .
Cu1 O1 1.945(3) .
Cu1 O2 1.957(3) .
Cu1 N2 1.972(3) .
Cu1 N1 1.983(3) .
Cu1 N3 2.468(3) .
Cu2 O3 1.943(3) .
Cu2 O4 1.953(3) .
Cu2 N5 1.965(3) .
Cu2 N4 1.975(3) .
Cu2 N6 2.447(3) .
