#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:22:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180036 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/30/7033087.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_7033087
loop_
_publ_author_name
'Davenport, T. C.'
'Tilley, T. D.'
_publ_section_title
;
 Dinuclear first-row transition metal complexes with a naphthyridine-based
 dinucleating ligand.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12244
_journal_page_last               12255
_journal_paper_doi               10.1039/c4dt02727b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C30 H25 Cu2 F2 N7 O6 2+, 2(N O3), 2(H2 O)'
_chemical_formula_sum            'C30 H29 Cu2 F2 N9 O14'
_chemical_formula_weight         904.70
_chemical_name_common            '[Cu2(u-OH)(u-OH2)(DPFN)(NO3)][NO3]2'
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    Hygroscopic
_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                 106.1750(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.1143(19)
_cell_length_b                   14.7530(13)
_cell_length_c                   23.299(2)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.69
_cell_volume                     6970.3(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'φ and ω 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  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0124
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            42495
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.71
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.315
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3680
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: water'
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         6390
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0222
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0251P)²+11.9978P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0549
_refine_ls_wR_factor_ref         0.0558
_reflns_number_gt                6036
_reflns_number_total             6390
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4dt02727b1.cif
_cod_data_source_block           '[Cu2(u-OH)(u-OH2)(DPFN)(NO3)][NO3]2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7033083--7033087.cif.
;
_cod_original_cell_volume        6970.2(11)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7033087
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
N10 N 0.0000 0.61153(14) 0.2500 0.0224(5) Uani 1 2 d S
O12 O 0.00644(7) 0.56718(10) 0.20567(6) 0.0314(3) Uani 1 1 d .
O13 O 0.0000 0.69389(16) 0.2500 0.0741(10) Uani 1 2 d S
O14 O 0.13368(7) 0.63834(9) -0.05686(6) 0.0222(3) Uani 1 1 d .
O15 O -0.04740(7) 0.39848(12) 0.16308(6) 0.0292(3) Uani 1 1 d .
C1 C -0.00351(8) 0.84891(11) 0.12746(7) 0.0131(3) Uani 1 1 d .
C2 C 0.00410(8) 0.92364(11) 0.16688(7) 0.0157(3) Uani 1 1 d .
H2 H -0.0293 0.9685 0.1616 0.019 Uiso 1 1 calc R
C3 C 0.06048(8) 0.92954(11) 0.21251(7) 0.0165(3) Uani 1 1 d .
H3 H 0.0674 0.9796 0.2392 0.020 Uiso 1 1 calc R
C4 C 0.16627(8) 0.85824(11) 0.26821(7) 0.0169(3) Uani 1 1 d .
H4 H 0.1752 0.9054 0.2971 0.020 Uiso 1 1 calc R
C5 C 0.20929(8) 0.78792(11) 0.27316(7) 0.0159(3) Uani 1 1 d .
H5 H 0.2479 0.7841 0.3059 0.019 Uiso 1 1 calc R
C6 C 0.19465(8) 0.72078(11) 0.22813(7) 0.0133(3) Uani 1 1 d .
C7 C 0.09728(8) 0.78965(10) 0.17748(7) 0.0126(3) Uani 1 1 d .
C8 C 0.10853(8) 0.86079(11) 0.22000(7) 0.0146(3) Uani 1 1 d .
C9 C -0.06739(8) 0.84107(11) 0.07620(7) 0.0138(3) Uani 1 1 d .
C10 C 0.24166(8) 0.63982(11) 0.23252(7) 0.0140(3) Uani 1 1 d .
C11 C -0.05504(8) 0.85417(11) 0.01524(7) 0.0142(3) Uani 1 1 d .
C12 C -0.08055(9) 0.92825(12) -0.01971(8) 0.0187(3) Uani 1 1 d .
H12 H -0.1044 0.9736 -0.0055 0.022 Uiso 1 1 calc R
C13 C -0.07068(9) 0.93517(12) -0.07588(8) 0.0216(4) Uani 1 1 d .
H13 H -0.0880 0.9852 -0.1010 0.026 Uiso 1 1 calc R
C14 C -0.03521(9) 0.86829(12) -0.09491(8) 0.0200(4) Uani 1 1 d .
H14 H -0.0280 0.8716 -0.1333 0.024 Uiso 1 1 calc R
C15 C -0.01046(8) 0.79654(11) -0.05710(7) 0.0161(3) Uani 1 1 d .
H15 H 0.0141 0.7509 -0.0701 0.019 Uiso 1 1 calc R
C16 C -0.10562(8) 0.75365(11) 0.07753(7) 0.0140(3) Uani 1 1 d .
C17 C -0.16790(8) 0.75500(12) 0.08605(8) 0.0190(4) Uani 1 1 d .
H17 H -0.1877 0.8104 0.0925 0.023 Uiso 1 1 calc R
C18 C -0.20056(9) 0.67312(13) 0.08489(8) 0.0233(4) Uani 1 1 d .
H18 H -0.2436 0.6720 0.0900 0.028 Uiso 1 1 calc R
C19 C -0.17031(9) 0.59338(12) 0.07630(8) 0.0206(4) Uani 1 1 d .
H19 H -0.1918 0.5367 0.0759 0.025 Uiso 1 1 calc R
C20 C -0.10789(8) 0.59780(11) 0.06825(7) 0.0158(3) Uani 1 1 d .
H20 H -0.0867 0.5430 0.0627 0.019 Uiso 1 1 calc R
C21 C 0.27302(8) 0.63720(10) 0.18085(7) 0.0135(3) Uani 1 1 d .
C22 C 0.34023(8) 0.64957(11) 0.19066(8) 0.0173(3) Uani 1 1 d .
H22 H 0.3680 0.6613 0.2297 0.021 Uiso 1 1 calc R
C23 C 0.36603(8) 0.64434(12) 0.14204(8) 0.0204(4) Uani 1 1 d .
H23 H 0.4118 0.6537 0.1473 0.024 Uiso 1 1 calc R
C24 C 0.32483(8) 0.62545(12) 0.08609(8) 0.0183(3) Uani 1 1 d .
H24 H 0.3418 0.6208 0.0525 0.022 Uiso 1 1 calc R
C25 C 0.25830(8) 0.61343(11) 0.07994(7) 0.0155(3) Uani 1 1 d .
H25 H 0.2298 0.6000 0.0415 0.019 Uiso 1 1 calc R
C26 C 0.20755(8) 0.55054(11) 0.23906(7) 0.0132(3) Uani 1 1 d .
C27 C 0.22346(8) 0.50312(12) 0.29264(7) 0.0173(3) Uani 1 1 d .
H27 H 0.2565 0.5248 0.3264 0.021 Uiso 1 1 calc R
C28 C 0.18992(9) 0.42321(12) 0.29564(8) 0.0199(4) Uani 1 1 d .
H28 H 0.1995 0.3895 0.3318 0.024 Uiso 1 1 calc R
C29 C 0.14227(8) 0.39295(11) 0.24548(8) 0.0181(3) Uani 1 1 d .
H29 H 0.1193 0.3379 0.2466 0.022 Uiso 1 1 calc R
C30 C 0.12890(8) 0.44426(11) 0.19398(7) 0.0153(3) Uani 1 1 d .
H30 H 0.0959 0.4241 0.1597 0.018 Uiso 1 1 calc R
N1 N 0.04133(7) 0.78551(9) 0.13085(6) 0.0125(3) Uani 1 1 d .
N2 N 0.14176(6) 0.72113(9) 0.18159(6) 0.0129(3) Uani 1 1 d .
N3 N -0.01994(6) 0.78897(9) -0.00252(6) 0.0128(3) Uani 1 1 d .
N4 N -0.07621(7) 0.67659(9) 0.06807(6) 0.0127(3) Uani 1 1 d .
N5 N 0.23260(7) 0.62002(9) 0.12634(6) 0.0129(3) Uani 1 1 d .
N6 N 0.16104(6) 0.52177(9) 0.19075(6) 0.0130(3) Uani 1 1 d .
N7 N 0.18655(7) 0.40166(10) 0.08311(6) 0.0184(3) Uani 1 1 d .
N8 N 0.19667(7) 0.87422(9) 0.06508(6) 0.0145(3) Uani 1 1 d .
O1 O 0.10707(6) 0.68172(8) 0.04107(5) 0.0120(2) Uani 1 1 d .
O2 O 0.04473(5) 0.57691(7) 0.09864(5) 0.0122(2) Uani 1 1 d .
O3 O 0.14683(6) 0.46560(8) 0.05967(5) 0.0195(3) Uani 1 1 d .
O4 O 0.16603(8) 0.32261(9) 0.07930(7) 0.0363(3) Uani 1 1 d .
O5 O 0.24449(6) 0.42021(9) 0.10973(6) 0.0259(3) Uani 1 1 d .
O6 O -0.01903(7) 0.59508(9) -0.03711(6) 0.0190(3) Uani 1 1 d .
O7 O 0.13663(6) 0.85349(8) 0.05754(6) 0.0213(3) Uani 1 1 d .
O8 O 0.21307(6) 0.95488(8) 0.06965(6) 0.0240(3) Uani 1 1 d .
O9 O 0.23790(6) 0.81261(8) 0.06717(6) 0.0232(3) Uani 1 1 d .
F1 F -0.10792(5) 0.91218(6) 0.08347(4) 0.0171(2) Uani 1 1 d .
F2 F 0.29283(5) 0.65119(6) 0.28458(4) 0.0166(2) Uani 1 1 d .
Cu1 Cu 0.010916(9) 0.679841(12) 0.049120(8) 0.01079(6) Uani 1 1 d .
Cu2 Cu 0.137612(9) 0.597292(13) 0.115398(8) 0.01112(6) Uani 1 1 d .
H1A H 0.1132(12) 0.6650(16) 0.0090(11) 0.035(6) Uiso 1 1 d .
H1B H 0.1229(11) 0.7337(17) 0.0476(10) 0.031(6) Uiso 1 1 d .
H2A H 0.0355(10) 0.5823(14) 0.1264(10) 0.019(6) Uiso 1 1 d .
H6A H -0.0572(15) 0.5944(18) -0.0435(12) 0.048(8) Uiso 1 1 d .
H6B H -0.0133(13) 0.547(2) -0.0470(12) 0.050(9) Uiso 1 1 d .
H14A H 0.1084(13) 0.6293(16) -0.0867(12) 0.034(7) Uiso 1 1 d .
H14B H 0.1681(13) 0.6509(16) -0.0626(11) 0.036(7) Uiso 1 1 d .
H15A H -0.0261(12) 0.3587(18) 0.1809(11) 0.036(7) Uiso 1 1 d .
H15B H -0.0342(12) 0.4437(18) 0.1790(11) 0.037(7) Uiso 1 1 d .
N9 N 0.0000 0.19637(13) 0.2500 0.0163(4) Uani 1 2 d S
O10 O 0.02012(6) 0.23885(9) 0.21183(6) 0.0235(3) Uani 1 1 d .
O11 O 0.0000 0.11173(11) 0.2500 0.0242(4) Uani 1 2 d S
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'
F F 0.0171 0.0103 '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_3
O13 N10 O12 121.25(11) .
O13 N10 O12 121.25(11) 2
O12 N10 O12 117.5(2) 2
H14A O14 H14B 109(2) .
H15A O15 H15B 108(3) .
N1 C1 C2 124.36(15) .
N1 C1 C9 116.97(14) .
C2 C1 C9 118.65(14) .
C3 C2 C1 118.28(15) .
C3 C2 H2 120.9 .
C1 C2 H2 120.9 .
C2 C3 C8 119.56(15) .
C2 C3 H3 120.2 .
C8 C3 H3 120.2 .
C5 C4 C8 119.74(15) .
C5 C4 H4 120.1 .
C8 C4 H4 120.1 .
C4 C5 C6 117.91(15) .
C4 C5 H5 121.0 .
C6 C5 H5 121.0 .
N2 C6 C5 124.49(15) .
N2 C6 C10 116.08(14) .
C5 C6 C10 119.42(14) .
N2 C7 N1 116.65(14) .
N2 C7 C8 121.43(14) .
N1 C7 C8 121.92(15) .
C4 C8 C3 123.39(15) .
C4 C8 C7 118.47(15) .
C3 C8 C7 118.12(15) .
F1 C9 C11 106.72(12) .
F1 C9 C16 106.70(12) .
C11 C9 C16 110.75(13) .
F1 C9 C1 106.53(12) .
C11 C9 C1 111.92(13) .
C16 C9 C1 113.73(13) .
F2 C10 C21 106.76(13) .
F2 C10 C26 106.85(12) .
C21 C10 C26 112.11(13) .
F2 C10 C6 107.11(12) .
C21 C10 C6 112.37(13) .
C26 C10 C6 111.25(13) .
N3 C11 C12 122.80(15) .
N3 C11 C9 116.53(14) .
C12 C11 C9 120.65(14) .
C11 C12 C13 118.64(16) .
C11 C12 H12 120.7 .
C13 C12 H12 120.7 .
C14 C13 C12 119.16(16) .
C14 C13 H13 120.4 .
C12 C13 H13 120.4 .
C15 C14 C13 118.94(16) .
C15 C14 H14 120.5 .
C13 C14 H14 120.5 .
N3 C15 C14 122.41(15) .
N3 C15 H15 118.8 .
C14 C15 H15 118.8 .
N4 C16 C17 122.50(15) .
N4 C16 C9 116.14(14) .
C17 C16 C9 121.32(15) .
C16 C17 C18 118.14(16) .
C16 C17 H17 120.9 .
C18 C17 H17 120.9 .
C19 C18 C17 119.85(16) .
C19 C18 H18 120.1 .
C17 C18 H18 120.1 .
C18 C19 C20 118.45(16) .
C18 C19 H19 120.8 .
C20 C19 H19 120.8 .
N4 C20 C19 122.40(15) .
N4 C20 H20 118.8 .
C19 C20 H20 118.8 .
N5 C21 C22 122.22(15) .
N5 C21 C10 116.71(14) .
C22 C21 C10 121.05(14) .
C21 C22 C23 118.33(15) .
C21 C22 H22 120.8 .
C23 C22 H22 120.8 .
C24 C23 C22 119.64(16) .
C24 C23 H23 120.2 .
C22 C23 H23 120.2 .
C23 C24 C25 118.62(16) .
C23 C24 H24 120.7 .
C25 C24 H24 120.7 .
N5 C25 C24 122.30(15) .
N5 C25 H25 118.9 .
C24 C25 H25 118.9 .
N6 C26 C27 122.20(15) .
N6 C26 C10 116.39(13) .
C27 C26 C10 121.41(14) .
C28 C27 C26 118.33(15) .
C28 C27 H27 120.8 .
C26 C27 H27 120.8 .
C29 C28 C27 119.48(16) .
C29 C28 H28 120.3 .
C27 C28 H28 120.3 .
C30 C29 C28 118.75(16) .
C30 C29 H29 120.6 .
C28 C29 H29 120.6 .
N6 C30 C29 122.13(15) .
N6 C30 H30 118.9 .
C29 C30 H30 118.9 .
C1 N1 C7 117.64(14) .
C1 N1 Cu1 112.57(10) .
C7 N1 Cu1 129.78(10) .
C6 N2 C7 117.90(13) .
C6 N2 Cu2 113.52(10) .
C7 N2 Cu2 128.58(10) .
C15 N3 C11 118.05(14) .
C15 N3 Cu1 121.61(11) .
C11 N3 Cu1 120.19(11) .
C20 N4 C16 118.64(14) .
C20 N4 Cu1 120.62(11) .
C16 N4 Cu1 120.65(11) .
C25 N5 C21 118.87(14) .
C25 N5 Cu2 120.46(11) .
C21 N5 Cu2 120.56(11) .
C26 N6 C30 119.10(14) .
C26 N6 Cu2 119.99(11) .
C30 N6 Cu2 120.86(11) .
O4 N7 O5 121.40(15) .
O4 N7 O3 119.28(15) .
O5 N7 O3 119.31(14) .
O8 N8 O9 121.43(14) .
O8 N8 O7 119.31(14) .
O9 N8 O7 119.26(13) .
Cu2 O1 Cu1 90.05(4) .
Cu2 O1 H1A 118.7(16) .
Cu1 O1 H1A 118.4(16) .
Cu2 O1 H1B 112.6(15) .
Cu1 O1 H1B 110.3(15) .
H1A O1 H1B 106(2) .
Cu2 O2 Cu1 100.76(5) .
Cu2 O2 H2A 108.2(17) .
Cu1 O2 H2A 107.4(17) .
N7 O3 Cu2 120.91(9) .
Cu1 O6 H6A 101(2) .
Cu1 O6 H6B 138(2) .
H6A O6 H6B 100(3) .
O2 Cu1 N3 177.23(5) .
O2 Cu1 N4 93.39(5) .
N3 Cu1 N4 89.24(5) .
O2 Cu1 O1 81.75(5) .
N3 Cu1 O1 95.55(5) .
N4 Cu1 O1 172.73(5) .
O2 Cu1 O6 93.47(5) .
N3 Cu1 O6 87.03(5) .
N4 Cu1 O6 97.66(5) .
O1 Cu1 O6 88.08(5) .
O2 Cu1 N1 93.68(5) .
N3 Cu1 N1 85.71(5) .
N4 Cu1 N1 84.28(5) .
O1 Cu1 N1 90.61(5) .
O6 Cu1 N1 172.46(5) .
O2 Cu1 Cu2 39.54(3) .
N3 Cu1 Cu2 137.71(4) .
N4 Cu1 Cu2 128.82(4) .
O1 Cu1 Cu2 44.89(3) .
O6 Cu1 Cu2 102.77(4) .
N1 Cu1 Cu2 81.38(3) .
O2 Cu2 N5 175.77(5) .
O2 Cu2 N6 94.56(5) .
N5 Cu2 N6 89.28(5) .
O2 Cu2 O1 82.07(5) .
N5 Cu2 O1 94.23(5) .
N6 Cu2 O1 174.53(5) .
O2 Cu2 O3 89.73(5) .
N5 Cu2 O3 88.54(5) .
N6 Cu2 O3 89.22(5) .
O1 Cu2 O3 95.06(5) .
O2 Cu2 N2 95.95(5) .
N5 Cu2 N2 86.17(5) .
N6 Cu2 N2 84.51(5) .
O1 Cu2 N2 91.53(5) .
O3 Cu2 N2 171.85(4) .
O2 Cu2 Cu1 39.70(3) .
N5 Cu2 Cu1 137.35(4) .
N6 Cu2 Cu1 130.42(4) .
O1 Cu2 Cu1 45.06(3) .
O3 Cu2 Cu1 104.58(3) .
N2 Cu2 Cu1 83.49(3) .
O11 N9 O10 119.96(10) .
O11 N9 O10 119.96(10) 2
O10 N9 O10 120.1(2) 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N10 O13 1.215(3) .
N10 O12 1.2616(17) .
N10 O12 1.2616(17) 2
O14 H14A 0.76(3) .
O14 H14B 0.80(3) .
O15 H15A 0.78(3) .
O15 H15B 0.78(3) .
C1 N1 1.318(2) .
C1 C2 1.415(2) .
C1 C9 1.537(2) .
C2 C3 1.360(2) .
C2 H2 0.9500 .
C3 C8 1.411(2) .
C3 H3 0.9500 .
C4 C5 1.362(2) .
C4 C8 1.409(2) .
C4 H4 0.9500 .
C5 C6 1.413(2) .
C5 H5 0.9500 .
C6 N2 1.322(2) .
C6 C10 1.538(2) .
C7 N2 1.365(2) .
C7 N1 1.366(2) .
C7 C8 1.417(2) .
C9 F1 1.3937(18) .
C9 C11 1.526(2) .
C9 C16 1.527(2) .
C10 F2 1.3915(18) .
C10 C21 1.528(2) .
C10 C26 1.529(2) .
C11 N3 1.348(2) .
C11 C12 1.380(2) .
C12 C13 1.385(2) .
C12 H12 0.9500 .
C13 C14 1.384(3) .
C13 H13 0.9500 .
C14 C15 1.383(2) .
C14 H14 0.9500 .
C15 N3 1.346(2) .
C15 H15 0.9500 .
C16 N4 1.343(2) .
C16 C17 1.384(2) .
C17 C18 1.387(3) .
C17 H17 0.9500 .
C18 C19 1.380(3) .
C18 H18 0.9500 .
C19 C20 1.383(2) .
C19 H19 0.9500 .
C20 N4 1.342(2) .
C20 H20 0.9500 .
C21 N5 1.342(2) .
C21 C22 1.385(2) .
C22 C23 1.389(2) .
C22 H22 0.9500 .
C23 C24 1.379(2) .
C23 H23 0.9500 .
C24 C25 1.383(2) .
C24 H24 0.9500 .
C25 N5 1.341(2) .
C25 H25 0.9500 .
C26 N6 1.340(2) .
C26 C27 1.388(2) .
C27 C28 1.387(2) .
C27 H27 0.9500 .
C28 C29 1.386(3) .
C28 H28 0.9500 .
C29 C30 1.380(2) .
C29 H29 0.9500 .
C30 N6 1.343(2) .
C30 H30 0.9500 .
N1 Cu1 2.4056(13) .
N2 Cu2 2.3767(13) .
N3 Cu1 2.0069(13) .
N4 Cu1 2.0085(13) .
N5 Cu2 1.9787(14) .
N6 Cu2 2.0210(13) .
N7 O4 1.239(2) .
N7 O5 1.2384(19) .
N7 O3 1.2792(18) .
N8 O8 1.2357(18) .
N8 O9 1.2500(18) .
N8 O7 1.2678(18) .
O1 Cu2 2.0842(11) .
O1 Cu1 2.0905(12) .
O1 H1A 0.83(3) .
O1 H1B 0.83(3) .
O2 Cu2 1.9136(11) .
O2 Cu1 1.9204(11) .
O2 H2A 0.73(2) .
O3 Cu2 2.3747(12) .
O6 Cu1 2.3004(13) .
O6 H6A 0.78(3) .
O6 H6B 0.77(3) .
Cu1 Cu2 2.9534(3) .
N9 O11 1.249(3) .
N9 O10 1.2548(16) .
N9 O10 1.2548(16) 2
