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#$Date: 2024-04-05 03:04:16 +0300 (Fri, 05 Apr 2024) $
#$Revision: 291017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/30/7063087.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_7063087
loop_
_publ_author_name
'Butrymowicz-Kubiak, A.'
'Luba, W.'
'Madajska, K.'
'Muzioł, T.'
'Szymańska, I. B.'
_publ_section_title
;
 Pivalate complexes of copper(ii) with aliphatic amines as potential
 precursors for depositing nanomaterials from the gas phase
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6232
_journal_page_last               6245
_journal_paper_doi               10.1039/D3NJ04959K
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety
'(Cu 2+)3, (C5 H9 O2 1-)4, (O H 1-)2, (C3 H9 N)2'
_chemical_formula_sum            'C26 H56 Cu3 N2 O10'
_chemical_formula_weight         747.34
_chemical_properties_physical
'Air-sensitive,Moisture-sensitive,unstable during diffraction experiments'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2023-05-09 deposited with the CCDC.	2024-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                109.72(2)
_cell_angle_beta                 99.887(15)
_cell_angle_gamma                103.83(2)
_cell_formula_units_Z            1
_cell_length_a                   6.2514(12)
_cell_length_b                   12.462(4)
_cell_length_c                   12.7926(14)
_cell_measurement_reflns_used    1557
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      77.1170
_cell_measurement_theta_min      3.8270
_cell_volume                     875.6(4)
_computing_cell_refinement       'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.55a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov, 2009)'
_computing_publication_material  ciftab
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'Olex2 1.3 (Dolomanov, 2009)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.887
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1132
_diffrn_reflns_av_unetI/netI     0.1432
_diffrn_reflns_Laue_measured_fraction_full 0.887
_diffrn_reflns_Laue_measured_fraction_max 0.882
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6231
_diffrn_reflns_point_group_measured_fraction_full 0.887
_diffrn_reflns_point_group_measured_fraction_max 0.882
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.199
_diffrn_reflns_theta_min         3.819
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.532
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.55a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_description       'tiny needle'
_exptl_crystal_F_000             393
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.919
_refine_diff_density_min         -1.063
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2831
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1846
_refine_ls_R_factor_gt           0.1094
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2815
_refine_ls_wR_factor_ref         0.3288
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1473
_reflns_number_total             2831
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nj04959k2.cif
_cod_data_source_block           new-wl5-3D-R1-25shape
_cod_depositor_comments
'Adding full bibliography for 7063085--7063088.cif.'
_cod_original_cell_volume        875.5(4)
_cod_database_code               7063087
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.786
_shelx_estimated_absorpt_t_max   0.951
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.500000 0.500000 0.500000 0.0448(7) Uani 1 2 d S . P . .
Cu2 Cu 0.8779(3) 0.42765(15) 0.37045(13) 0.0489(7) Uani 1 1 d . . . . .
O1 O 0.6895(12) 0.2593(8) 0.3114(8) 0.058(2) Uani 1 1 d . . . . .
O2 O 0.3890(14) 0.3249(9) 0.2991(8) 0.067(3) Uani 1 1 d . . . . .
C2 C 0.475(2) 0.2393(11) 0.2837(10) 0.054(3) Uani 1 1 d . . . . .
C3 C 0.323(2) 0.1087(12) 0.2232(14) 0.069(3) Uani 1 1 d D U . . .
C4 C 0.076(2) 0.0952(14) 0.2312(14) 0.074(5) Uani 1 1 d . . . . .
H4A H 0.078(2) 0.137(4) 0.298(7) 0.111 Uiso 1 1 calc R U . . .
H4B H 0.007(8) 0.024(7) 0.215(2) 0.111 Uiso 1 1 calc R U . . .
H4C H 0.010(7) 0.118(3) 0.185(5) 0.111 Uiso 1 1 calc R U . . .
C5 C 0.423(3) 0.0281(18) 0.266(2) 0.068(4) Uani 0.75 1 d . U P A 1
H5A H 0.536198 0.007255 0.225585 0.102 Uiso 0.75 1 calc R U P A 1
H5B H 0.300415 -0.045534 0.251226 0.102 Uiso 0.75 1 calc R U P A 1
H5C H 0.497171 0.069865 0.349236 0.102 Uiso 0.75 1 calc R U P A 1
C6 C 0.319(5) 0.0780(17) 0.097(2) 0.077(5) Uani 0.75 1 d . U P A 1
H6A H 0.294458 0.143333 0.074980 0.116 Uiso 0.75 1 calc R U P A 1
H6B H 0.193661 0.003129 0.048015 0.116 Uiso 0.75 1 calc R U P A 1
H6C H 0.464954 0.067699 0.085797 0.116 Uiso 0.75 1 calc R U P A 1
C7 C 0.380(9) 0.044(6) 0.306(5) 0.068(4) Uani 0.25 1 d D U P A 2
H7A H 0.469057 -0.007623 0.275461 0.102 Uiso 0.25 1 calc R U P A 2
H7B H 0.237008 -0.004319 0.311338 0.102 Uiso 0.25 1 calc R U P A 2
H7C H 0.469291 0.105078 0.383067 0.102 Uiso 0.25 1 calc R U P A 2
C8 C 0.319(15) 0.029(5) 0.107(4) 0.077(5) Uani 0.25 1 d D U P A 2
H8A H 0.298944 0.069230 0.053921 0.116 Uiso 0.25 1 calc R U P A 2
H8B H 0.192072 -0.045991 0.080021 0.116 Uiso 0.25 1 calc R U P A 2
H8C H 0.464258 0.011588 0.110717 0.116 Uiso 0.25 1 calc R U P A 2
O11 O 0.4207(13) 0.3782(8) 0.5657(7) 0.056(2) Uani 1 1 d . . . . .
O12 O 0.1345(12) 0.4116(8) 0.6424(8) 0.059(2) Uani 1 1 d . . . . .
C12 C 0.2765(18) 0.3558(12) 0.6207(11) 0.055(3) Uani 1 1 d . . . . .
C13 C 0.279(2) 0.2561(13) 0.6605(12) 0.061(3) Uani 1 1 d D . . . .
C14 C 0.061(5) 0.194(3) 0.682(3) 0.094(11) Uani 0.6 1 d D U P B 1
H14A H 0.005003 0.254546 0.730428 0.142 Uiso 0.6 1 calc R U P B 1
H14B H 0.093208 0.142206 0.721816 0.142 Uiso 0.6 1 calc R U P B 1
H14C H -0.055797 0.144855 0.608248 0.142 Uiso 0.6 1 calc R U P B 1
C17 C 0.148(7) 0.261(4) 0.753(4) 0.094(11) Uani 0.4 1 d D . P B 2
H17A H -0.009261 0.257054 0.721090 0.142 Uiso 0.4 1 calc R U P B 2
H17B H 0.224952 0.336601 0.820618 0.142 Uiso 0.4 1 calc R U P B 2
H17C H 0.145862 0.192952 0.774767 0.142 Uiso 0.4 1 calc R U P B 2
C15 C 0.505(3) 0.296(2) 0.750(2) 0.128(8) Uani 1 1 d D . . . .
H15A H 0.481674 0.323111 0.827228 0.192 Uiso 1 1 calc R U . . .
H15B H 0.613450 0.362490 0.742633 0.192 Uiso 1 1 calc R U . . .
H15C H 0.565402 0.228600 0.737758 0.192 Uiso 1 1 calc R U . . .
C16 C 0.307(4) 0.143(2) 0.567(2) 0.123(7) Uani 1 1 d . . . . .
H16A H 0.167443 0.102801 0.502210 0.185 Uiso 1 1 calc R U . . .
H16B H 0.333265 0.086559 0.601879 0.185 Uiso 1 1 calc R U . . .
H16C H 0.438000 0.169082 0.538651 0.185 Uiso 1 1 calc R U . . .
N21 N 1.0134(15) 0.4045(10) 0.2378(8) 0.051(2) Uani 1 1 d . . . . .
H21A H 1.074199 0.469258 0.240760 0.077 Uiso 1 1 calc R U . . .
H21B H 1.111203 0.376346 0.249021 0.077 Uiso 1 1 calc R U . . .
C22 C 0.870(2) 0.3309(14) 0.1167(11) 0.064(4) Uani 1 1 d . . . . .
H22 H 0.798469 0.247243 0.110285 0.076 Uiso 1 1 calc R U . . .
C23 C 0.678(2) 0.3821(16) 0.0900(13) 0.075(4) Uani 1 1 d . . . . .
H23A H 0.576(9) 0.3802(16) 0.148(5) 0.113 Uiso 1 1 calc R U . . .
H23B H 0.575(9) 0.330(5) 0.005(7) 0.113 Uiso 1 1 calc R U . . .
H23C H 0.749(6) 0.472(8) 0.0994(15) 0.113 Uiso 1 1 calc R U . . .
C24 C 1.008(2) 0.3246(17) 0.0328(12) 0.087(6) Uani 1 1 d . . . . .
H24A H 1.074(8) 0.393(8) 0.0390(13) 0.130 Uiso 1 1 calc R U . . .
H24B H 0.923(10) 0.285(5) -0.034(8) 0.130 Uiso 1 1 calc R U . . .
H24C H 1.105(12) 0.292(4) 0.0461(19) 0.130 Uiso 1 1 calc R U . . .
O31 O 0.7915(10) 0.4675(7) 0.5137(6) 0.0423(18) Uani 1 1 d . . . . .
H31 H 0.758051 0.390494 0.525571 0.063 Uiso 1 1 calc R U . . .
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'
H H 0.0000 0.0000 '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'
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
O31 Cu1 O31 180.0(5) 2_666 . ?
O31 Cu1 O11 83.6(3) 2_666 2_666 ?
O31 Cu1 O11 96.4(3) . 2_666 ?
O31 Cu1 O11 96.4(3) 2_666 . ?
O31 Cu1 O11 83.6(3) . . ?
O11 Cu1 O11 180.0 2_666 . ?
O31 Cu2 O1 93.0(3) . . ?
O31 Cu2 N21 171.3(4) . . ?
O1 Cu2 N21 94.1(4) . . ?
O31 Cu2 O12 92.8(3) . 2_666 ?
O1 Cu2 O12 140.0(3) . 2_666 ?
N21 Cu2 O12 85.1(4) . 2_666 ?
O31 Cu2 O31 81.6(3) . 2_766 ?
O1 Cu2 O31 135.1(3) . 2_766 ?
N21 Cu2 O31 89.8(3) . 2_766 ?
O12 Cu2 O31 84.8(3) 2_666 2_766 ?
C2 O1 Cu2 115.6(8) . . ?
O2 C2 O1 121.7(12) . . ?
O2 C2 C3 121.0(11) . . ?
O1 C2 C3 117.2(12) . . ?
C2 C3 C6 103.6(12) . . ?
C2 C3 C5 111.7(13) . . ?
C6 C3 C5 109.6(15) . . ?
C2 C3 C4 111.2(11) . . ?
C6 C3 C4 107.6(15) . . ?
C5 C3 C4 112.6(12) . . ?
C2 C3 C8 123(3) . . ?
C4 C3 C8 110(4) . . ?
C2 C3 C7 107(3) . . ?
C4 C3 C7 95(2) . . ?
C8 C3 C7 107(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C3 C7 H7A 109.5 . . ?
C3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.4 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 O11 Cu1 133.7(8) . . ?
C12 O12 Cu2 129.8(7) . 2_666 ?
O11 C12 O12 124.1(11) . . ?
O11 C12 C13 116.5(10) . . ?
O12 C12 C13 119.4(10) . . ?
C14 C13 C12 117.6(16) . . ?
C14 C13 C15 119(2) . . ?
C12 C13 C15 107.2(13) . . ?
C12 C13 C17 111(2) . . ?
C15 C13 C17 91(2) . . ?
C14 C13 C16 99.0(16) . . ?
C12 C13 C16 113.2(12) . . ?
C15 C13 C16 98.8(16) . . ?
C17 C13 C16 129(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 N21 Cu2 121.5(7) . . ?
C22 N21 H21A 107.0 . . ?
Cu2 N21 H21A 107.0 . . ?
C22 N21 H21B 107.0 . . ?
Cu2 N21 H21B 107.0 . . ?
H21A N21 H21B 106.7 . . ?
N21 C22 C24 112.0(10) . . ?
N21 C22 C23 109.2(11) . . ?
C24 C22 C23 111.3(12) . . ?
N21 C22 H22 108.1 . . ?
C24 C22 H22 108.1 . . ?
C23 C22 H22 108.1 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Cu2 O31 Cu1 112.9(4) . . ?
Cu2 O31 Cu2 98.4(3) . 2_766 ?
Cu1 O31 Cu2 131.1(4) . 2_766 ?
Cu2 O31 H31 103.9 . . ?
Cu1 O31 H31 103.9 . . ?
Cu2 O31 H31 103.9 2_766 . ?
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 O31 1.951(6) 2_666 ?
Cu1 O31 1.951(6) . ?
Cu1 O11 1.975(8) 2_666 ?
Cu1 O11 1.975(7) . ?
Cu2 O31 1.936(7) . ?
Cu2 O1 1.950(9) . ?
Cu2 N21 1.990(8) . ?
Cu2 O12 2.083(9) 2_666 ?
Cu2 O31 2.127(7) 2_766 ?
O1 C2 1.268(15) . ?
O2 C2 1.277(15) . ?
C2 C3 1.519(17) . ?
C3 C6 1.53(3) . ?
C3 C5 1.50(2) . ?
C3 C4 1.536(16) . ?
C3 C8 1.47(4) . ?
C3 C7 1.57(4) . ?
C4 H4A 0.83(8) . ?
C4 H4B 0.83(8) . ?
C4 H4C 0.83(8) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
O11 C12 1.271(12) . ?
O12 C12 1.265(14) . ?
C12 C13 1.495(17) . ?
C13 C14 1.52(2) . ?
C13 C15 1.51(2) . ?
C13 C17 1.54(3) . ?
C13 C16 1.58(3) . ?
C14 H14A 0.9801 . ?
C14 H14B 0.9801 . ?
C14 H14C 0.9801 . ?
C17 H17A 0.9801 . ?
C17 H17B 0.9801 . ?
C17 H17C 0.9801 . ?
C15 H15A 0.9801 . ?
C15 H15B 0.9801 . ?
C15 H15C 0.9801 . ?
C16 H16A 0.9801 . ?
C16 H16B 0.9801 . ?
C16 H16C 0.9801 . ?
N21 C22 1.488(17) . ?
N21 H21A 0.7900 . ?
N21 H21B 0.7900 . ?
C22 C24 1.482(16) . ?
C22 C23 1.53(2) . ?
C22 H22 1.0000 . ?
C23 H23A 1.05(9) . ?
C23 H23B 1.05(9) . ?
C23 H23C 1.05(9) . ?
C24 H24A 0.83(10) . ?
C24 H24B 0.83(10) . ?
C24 H24C 0.83(10) . ?
O31 H31 1.0000 . ?
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
Cu2 O1 C2 O2 -3.3(15) . . . . ?
Cu2 O1 C2 C3 172.4(9) . . . . ?
O2 C2 C3 C6 92.1(16) . . . . ?
O1 C2 C3 C6 -83.7(16) . . . . ?
O2 C2 C3 C5 -150.0(13) . . . . ?
O1 C2 C3 C5 34.2(17) . . . . ?
O2 C2 C3 C4 -23.3(18) . . . . ?
O1 C2 C3 C4 160.9(12) . . . . ?
O2 C2 C3 C8 110(4) . . . . ?
O1 C2 C3 C8 -66(4) . . . . ?
O2 C2 C3 C7 -126(2) . . . . ?
O1 C2 C3 C7 58(2) . . . . ?
Cu1 O11 C12 O12 3(2) . . . . ?
Cu1 O11 C12 C13 -177.3(9) . . . . ?
Cu2 O12 C12 O11 -13.4(19) 2_666 . . . ?
Cu2 O12 C12 C13 166.9(9) 2_666 . . . ?
O11 C12 C13 C14 -156.3(19) . . . . ?
O12 C12 C13 C14 23(2) . . . . ?
O11 C12 C13 C15 66.1(18) . . . . ?
O12 C12 C13 C15 -114.1(16) . . . . ?
O11 C12 C13 C17 164(2) . . . . ?
O12 C12 C13 C17 -16(3) . . . . ?
O11 C12 C13 C16 -41.8(18) . . . . ?
O12 C12 C13 C16 138.0(14) . . . . ?
Cu2 N21 C22 C24 -179.0(10) . . . . ?
Cu2 N21 C22 C23 57.3(14) . . . . ?
