#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:36:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179927 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/22/7022285.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_7022285
loop_
_publ_author_name
'Abdulmalic, Mohammad A.'
'Aliabadi, Azar'
'Petr, Andreas'
'Kataev, Vladislav'
'Rüffer, Tobias'
_publ_section_title
;
 The formation of overlooked compounds in the reaction of methyl amine
 with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1798
_journal_page_last               1809
_journal_paper_doi               10.1039/c2dt32259e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C10 H4 Cu N2 O6, 2(C16 H36 N)'
_chemical_formula_sum            'C42 H76 Cu N4 O6'
_chemical_formula_weight         796.61
_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                 91.897(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.5716(9)
_cell_length_b                   17.2023(7)
_cell_length_c                   14.1556(5)
_cell_measurement_reflns_used    4076
_cell_measurement_temperature    115
_cell_measurement_theta_max      62.6711
_cell_measurement_theta_min      4.6393
_cell_volume                     4519.9(3)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      115
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'oxford gemini s'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6968
_diffrn_reflns_theta_full        62.76
_diffrn_reflns_theta_max         62.76
_diffrn_reflns_theta_min         4.64
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  10
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.045
_exptl_absorpt_correction_T_max  0.9594
_exptl_absorpt_correction_T_min  0.7176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         3440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0952P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1300
_reflns_number_gt                2596
_reflns_number_total             3440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32259e.txt
_cod_data_source_block           cuopba
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7022285
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
C1 C 0.38063(15) -0.14641(16) 1.15524(16) 0.0345(6) Uani 1 1 d .
C2 C 0.37344(16) -0.05615(17) 1.15548(16) 0.0374(6) Uani 1 1 d .
C3 C 0.46784(15) -0.24219(15) 1.22082(17) 0.0348(6) Uani 1 1 d .
C4 C 0.43898(16) -0.31262(16) 1.18984(18) 0.0396(7) Uani 1 1 d .
H4 H 0.3987 -0.3132 1.1490 0.048 Uiso 1 1 calc R
C5 C 0.47025(18) -0.38210(17) 1.2198(2) 0.0474(7) Uani 1 1 d .
H5 H 0.4508 -0.4291 1.1987 0.057 Uiso 1 1 calc R
C6 C 0.41570(15) -0.14448(15) 0.84371(17) 0.0341(6) Uani 1 1 d .
H6A H 0.4198 -0.0947 0.8120 0.041 Uiso 1 1 calc R
H6B H 0.4430 -0.1820 0.8084 0.041 Uiso 1 1 calc R
C7 C 0.45064(15) -0.13717(15) 0.94241(17) 0.0337(6) Uani 1 1 d .
H7A H 0.4322 -0.0915 0.9737 0.040 Uiso 1 1 calc R
H7B H 0.4391 -0.1824 0.9798 0.040 Uiso 1 1 calc R
C8 C 0.53173(16) -0.13053(17) 0.93453(18) 0.0395(6) Uani 1 1 d .
H8A H 0.5421 -0.0938 0.8848 0.047 Uiso 1 1 calc R
H8B H 0.5508 -0.1807 0.9165 0.047 Uiso 1 1 calc R
C9 C 0.56999(17) -0.10420(18) 1.02572(19) 0.0451(7) Uani 1 1 d .
H9A H 0.6209 -0.1013 1.0164 0.068 Uiso 1 1 calc R
H9B H 0.5608 -0.1408 1.0751 0.068 Uiso 1 1 calc R
H9C H 0.5524 -0.0539 1.0432 0.068 Uiso 1 1 calc R
C10 C 0.32642(15) -0.24657(14) 0.88796(16) 0.0335(6) Uani 1 1 d .
H10A H 0.3301 -0.2383 0.9557 0.040 Uiso 1 1 calc R
H10B H 0.2777 -0.2640 0.8728 0.040 Uiso 1 1 calc R
C11 C 0.37785(16) -0.31112(15) 0.86311(18) 0.0386(6) Uani 1 1 d .
H11A H 0.4268 -0.2962 0.8810 0.046 Uiso 1 1 calc R
H11B H 0.3754 -0.3202 0.7954 0.046 Uiso 1 1 calc R
C12 C 0.35747(19) -0.38553(17) 0.9154(2) 0.0479(7) Uani 1 1 d .
H12A H 0.3610 -0.3761 0.9829 0.057 Uiso 1 1 calc R
H12B H 0.3078 -0.3986 0.8991 0.057 Uiso 1 1 calc R
C13 C 0.4053(3) -0.4537(2) 0.8915(3) 0.0830(13) Uani 1 1 d .
H13A H 0.3906 -0.4987 0.9260 0.124 Uiso 1 1 calc R
H13B H 0.4544 -0.4414 0.9085 0.124 Uiso 1 1 calc R
H13C H 0.4010 -0.4641 0.8249 0.124 Uiso 1 1 calc R
C14 C 0.31617(15) -0.17276(15) 0.73463(16) 0.0341(6) Uani 1 1 d .
H14A H 0.3323 -0.1255 0.7046 0.041 Uiso 1 1 calc R
H14B H 0.3419 -0.2157 0.7069 0.041 Uiso 1 1 calc R
C15 C 0.23669(15) -0.18295(15) 0.71080(16) 0.0357(6) Uani 1 1 d .
H15A H 0.2096 -0.1417 0.7400 0.043 Uiso 1 1 calc R
H15B H 0.2203 -0.2322 0.7356 0.043 Uiso 1 1 calc R
C16 C 0.22333(17) -0.18094(18) 0.60392(18) 0.0432(7) Uani 1 1 d .
H16A H 0.2396 -0.1314 0.5798 0.052 Uiso 1 1 calc R
H16B H 0.2516 -0.2215 0.5752 0.052 Uiso 1 1 calc R
C17 C 0.14490(17) -0.19212(19) 0.57525(19) 0.0483(8) Uani 1 1 d .
H17A H 0.1394 -0.1904 0.5076 0.072 Uiso 1 1 calc R
H17B H 0.1167 -0.1515 0.6022 0.072 Uiso 1 1 calc R
H17C H 0.1287 -0.2416 0.5977 0.072 Uiso 1 1 calc R
C18 C 0.29081(15) -0.11039(15) 0.89008(16) 0.0325(6) Uani 1 1 d .
H18A H 0.2418 -0.1299 0.8892 0.039 Uiso 1 1 calc R
H18B H 0.3075 -0.1073 0.9556 0.039 Uiso 1 1 calc R
C19 C 0.29022(15) -0.02930(15) 0.84848(17) 0.0355(6) Uani 1 1 d .
H19A H 0.2815 -0.0324 0.7807 0.043 Uiso 1 1 calc R
H19B H 0.3370 -0.0053 0.8599 0.043 Uiso 1 1 calc R
C20 C 0.23234(17) 0.02065(17) 0.89175(18) 0.0432(7) Uani 1 1 d .
H20A H 0.1856 -0.0032 0.8801 0.052 Uiso 1 1 calc R
H20B H 0.2410 0.0237 0.9596 0.052 Uiso 1 1 calc R
C21 C 0.2322(2) 0.10205(18) 0.8500(2) 0.0531(8) Uani 1 1 d .
H21A H 0.1954 0.1325 0.8783 0.080 Uiso 1 1 calc R
H21B H 0.2228 0.0991 0.7830 0.080 Uiso 1 1 calc R
H21C H 0.2783 0.1259 0.8623 0.080 Uiso 1 1 calc R
N1 N 0.44058(12) -0.16804(12) 1.20153(13) 0.0346(5) Uani 1 1 d .
N2 N 0.33780(12) -0.16862(12) 0.83914(13) 0.0312(5) Uani 1 1 d .
O1 O 0.33429(10) -0.18800(11) 1.11507(12) 0.0400(5) Uani 1 1 d .
O2 O 0.42416(11) -0.01797(10) 1.20003(11) 0.0385(4) Uani 1 1 d .
O3 O 0.32072(11) -0.02600(12) 1.11463(12) 0.0456(5) Uani 1 1 d .
Cu1 Cu 0.5000 -0.08567(3) 1.2500 0.0344(2) 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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'
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
O1 C1 N1 128.5(3) . .
O1 C1 C2 121.1(2) . .
N1 C1 C2 110.4(2) . .
O3 C2 O2 124.6(3) . .
O3 C2 C1 119.0(3) . .
O2 C2 C1 116.5(2) . .
C4 C3 N1 127.0(3) . .
C4 C3 C3 119.23(17) . 2_657
N1 C3 C3 113.81(15) . 2_657
C5 C4 C3 120.1(3) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C5 C5 C4 120.61(18) 2_657 .
C5 C5 H5 119.7 2_657 .
C4 C5 H5 119.7 . .
N2 C6 C7 116.18(19) . .
N2 C6 H6A 108.2 . .
C7 C6 H6A 108.2 . .
N2 C6 H6B 108.2 . .
C7 C6 H6B 108.2 . .
H6A C6 H6B 107.4 . .
C8 C7 C6 109.4(2) . .
C8 C7 H7A 109.8 . .
C6 C7 H7A 109.8 . .
C8 C7 H7B 109.8 . .
C6 C7 H7B 109.8 . .
H7A C7 H7B 108.2 . .
C7 C8 C9 113.4(2) . .
C7 C8 H8A 108.9 . .
C9 C8 H8A 108.9 . .
C7 C8 H8B 108.9 . .
C9 C8 H8B 108.9 . .
H8A C8 H8B 107.7 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C11 C10 N2 116.2(2) . .
C11 C10 H10A 108.2 . .
N2 C10 H10A 108.2 . .
C11 C10 H10B 108.2 . .
N2 C10 H10B 108.2 . .
H10A C10 H10B 107.4 . .
C10 C11 C12 109.4(2) . .
C10 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
C10 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.2 . .
C13 C12 C11 112.5(3) . .
C13 C12 H12A 109.1 . .
C11 C12 H12A 109.1 . .
C13 C12 H12B 109.1 . .
C11 C12 H12B 109.1 . .
H12A C12 H12B 107.8 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 N2 116.50(19) . .
C15 C14 H14A 108.2 . .
N2 C14 H14A 108.2 . .
C15 C14 H14B 108.2 . .
N2 C14 H14B 108.2 . .
H14A C14 H14B 107.3 . .
C14 C15 C16 110.1(2) . .
C14 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
C14 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
H15A C15 H15B 108.2 . .
C17 C16 C15 112.8(2) . .
C17 C16 H16A 109.0 . .
C15 C16 H16A 109.0 . .
C17 C16 H16B 109.0 . .
C15 C16 H16B 109.0 . .
H16A C16 H16B 107.8 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 N2 114.71(19) . .
C19 C18 H18A 108.6 . .
N2 C18 H18A 108.6 . .
C19 C18 H18B 108.6 . .
N2 C18 H18B 108.6 . .
H18A C18 H18B 107.6 . .
C18 C19 C20 111.1(2) . .
C18 C19 H19A 109.4 . .
C20 C19 H19A 109.4 . .
C18 C19 H19B 109.4 . .
C20 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
C21 C20 C19 110.9(2) . .
C21 C20 H20A 109.5 . .
C19 C20 H20A 109.5 . .
C21 C20 H20B 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 108.1 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C1 N1 C3 130.2(2) . .
C1 N1 Cu1 115.79(18) . .
C3 N1 Cu1 113.97(18) . .
C6 N2 C14 106.09(18) . .
C6 N2 C18 111.27(19) . .
C14 N2 C18 110.71(19) . .
C6 N2 C10 111.7(2) . .
C14 N2 C10 111.29(18) . .
C18 N2 C10 105.84(18) . .
C2 O2 Cu1 112.34(17) . .
N1 Cu1 N1 84.19(13) 2_657 .
N1 Cu1 O2 84.87(9) 2_657 2_657
N1 Cu1 O2 168.24(9) . 2_657
N1 Cu1 O2 168.24(9) 2_657 .
N1 Cu1 O2 84.87(9) . .
O2 Cu1 O2 106.34(11) 2_657 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.242(3) .
C1 N1 1.326(4) .
C1 C2 1.558(4) .
C2 O3 1.235(3) .
C2 O2 1.295(3) .
C3 C4 1.390(4) .
C3 N1 1.396(3) .
C3 C3 1.430(6) 2_657
C4 C5 1.389(4) .
C4 H4 0.9300 .
C5 C5 1.375(7) 2_657
C5 H5 0.9300 .
C6 N2 1.505(4) .
C6 C7 1.526(4) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.518(4) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.522(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 C11 1.514(4) .
C10 N2 1.526(3) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.532(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.515(5) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 C15 1.513(4) .
C14 N2 1.522(3) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.526(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.511(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.514(4) .
C18 N2 1.525(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.521(4) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.520(4) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
N1 Cu1 1.910(2) .
O2 Cu1 1.9428(19) .
Cu1 N1 1.910(2) 2_657
Cu1 O2 1.9428(19) 2_657
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_4
O1 C1 C2 O3 -0.2(3) . .
N1 C1 C2 O3 179.4(2) . .
O1 C1 C2 O2 179.3(2) . .
N1 C1 C2 O2 -1.0(3) . .
N1 C3 C4 C5 -176.2(2) . .
C3 C3 C4 C5 3.5(4) 2_657 .
C3 C4 C5 C5 0.1(5) . 2_657
N2 C6 C7 C8 167.4(2) . .
C6 C7 C8 C9 166.5(2) . .
N2 C10 C11 C12 -178.1(2) . .
C10 C11 C12 C13 178.2(3) . .
N2 C14 C15 C16 176.5(2) . .
C14 C15 C16 C17 179.1(2) . .
N2 C18 C19 C20 169.8(2) . .
C18 C19 C20 C21 179.8(2) . .
O1 C1 N1 C3 -2.0(4) . .
C2 C1 N1 C3 178.4(2) . .
O1 C1 N1 Cu1 177.9(2) . .
C2 C1 N1 Cu1 -1.7(2) . .
C4 C3 N1 C1 4.1(4) . .
C3 C3 N1 C1 -175.6(2) 2_657 .
C4 C3 N1 Cu1 -175.8(2) . .
C3 C3 N1 Cu1 4.5(3) 2_657 .
C7 C6 N2 C14 -179.2(2) . .
C7 C6 N2 C18 60.3(3) . .
C7 C6 N2 C10 -57.8(3) . .
C15 C14 N2 C6 -170.2(2) . .
C15 C14 N2 C18 -49.3(3) . .
C15 C14 N2 C10 68.1(3) . .
C19 C18 N2 C6 62.2(3) . .
C19 C18 N2 C14 -55.5(3) . .
C19 C18 N2 C10 -176.2(2) . .
C11 C10 N2 C6 -47.4(3) . .
C11 C10 N2 C14 71.0(3) . .
C11 C10 N2 C18 -168.7(2) . .
O3 C2 O2 Cu1 -177.34(19) . .
C1 C2 O2 Cu1 3.1(3) . .
C1 N1 Cu1 N1 178.5(2) . 2_657
C3 N1 Cu1 N1 -1.62(12) . 2_657
C1 N1 Cu1 O2 -160.0(3) . 2_657
C3 N1 Cu1 O2 19.9(5) . 2_657
C1 N1 Cu1 O2 2.77(17) . .
C3 N1 Cu1 O2 -177.32(17) . .
C2 O2 Cu1 N1 -24.7(4) . 2_657
C2 O2 Cu1 N1 -3.24(16) . .
C2 O2 Cu1 O2 173.16(18) . 2_657
