data_beta-Cu(ta)2

_publ_contact_author_name        'Professor Dirk Volkmer'
_publ_contact_author_address     
;
Institute of Physics, 
Chair of Solid State and Material Science
Augsburg University
Universitaetsstrasse 1, 
D-86135 Augsburg, 
Germany
;
_publ_contact_author_email       dirk.volkmer@physik.uni-augsburg.de
_publ_contact_author_phone       '+49 (0)821 598 3006'
_publ_contact_author_fax         '+49 (0)821 598 5955'


loop_
_publ_author_name
_publ_author_address
Maciej Grzywa
;
Institute of Physics, 
Chair of Solid State and Material Science
Augsburg University
Universitaetsstrasse 1, 
D-86135 Augsburg, 
Germany
;
Dmytro
Denysenko
;
Institute of Physics, 
Chair of Solid State and Material Science
Augsburg University
Universitaetsstrasse 1, 
D-86135 Augsburg, 
Germany
;
Jan Hanss
;
Institute of Physics, 
Chair of Solid State and Material Science
Augsburg University
Universitaetsstrasse 1, 
D-86135 Augsburg, 
Germany
;
Ernst-Wilhelm
Scheidt, Wolfgang
Scherer
;
Institute of Physics, 
Chair of Chemical Physics, 
Augsburg University, 
Universitaetsstrasse 1, 
D-86135 Augsburg, 
Germany
;
Matthias Weil
;
Institute for Chemical Technologies and Analytics,
Division of Structural Chemistry,
Vienna University of Technology, 
Getreidemarkt 9/164-SC, 
1060 Vienna, 
Austria
;
Dirk
Volkmer
;
Institute of Physics, 
Chair of Solid State and Material Science
Augsburg University
Universitaetsstrasse 1, 
D-86135 Augsburg, 
Germany
;

_publ_requested_journal             'Dalton Transaction'

_publ_section_title
;
CuN6 Jahn-Teller centers in coordination frameworks comprising 
fully condensed Kuratowski-type secondary building units: 
phase transitions and magneto-structural correlations'
;

_audit_creation_method                   'Jana2006 Version : 23/10/2010'

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 'Cu(C2 H2 N3)2'
_chemical_formula_sum                    'C12 H12 Cu3 N18'
_chemical_formula_weight                 599
_chemical_melting_point                  ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 C    0.019   0.009
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Cu  -1.996   0.603
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 N    0.033   0.019
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 H    0.000   0.000
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_symmetry_cell_setting                   cubic
_symmetry_space_group_name_H-M           'F d -3 m'
_symmetry_space_group_name_Hall          '-F 4abvw;2abvw;3'
_symmetry_Int_Tables_number              227

loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
 1   x,y,z
 2   -x+3/4,-y+1/4,z+1/2
 3   -x+1/4,y+1/2,-z+3/4
 4   x+1/2,-y+3/4,-z+1/4
 5   z,x,y
 6   z+1/2,-x+3/4,-y+1/4
 7   -z+3/4,-x+1/4,y+1/2
 8   -z+1/4,x+1/2,-y+3/4
 9   y,z,x
 10  -y+1/4,z+1/2,-x+3/4
 11  y+1/2,-z+3/4,-x+1/4
 12  -y+3/4,-z+1/4,x+1/2
 13  y+3/4,x+1/4,-z+1/2
 14  -y,-x,-z
 15  y+1/4,-x+1/2,z+3/4
 16  -y+1/2,x+3/4,z+1/4
 17  x+3/4,z+1/4,-y+1/2
 18  -x+1/2,z+3/4,y+1/4
 19  -x,-z,-y
 20  x+1/4,-z+1/2,y+3/4
 21  z+3/4,y+1/4,-x+1/2
 22  z+1/4,-y+1/2,x+3/4
 23  -z+1/2,y+3/4,x+1/4
 24  -z,-y,-x
 25  -x,-y,-z
 26  x+1/4,y+3/4,-z+1/2
 27  x+3/4,-y+1/2,z+1/4
 28  -x+1/2,y+1/4,z+3/4
 29  -z,-x,-y
 30  -z+1/2,x+1/4,y+3/4
 31  z+1/4,x+3/4,-y+1/2
 32  z+3/4,-x+1/2,y+1/4
 33  -y,-z,-x
 34  y+3/4,-z+1/2,x+1/4
 35  -y+1/2,z+1/4,x+3/4
 36  y+1/4,z+3/4,-x+1/2
 37  -y+1/4,-x+3/4,z+1/2
 38  y,x,z
 39  -y+3/4,x+1/2,-z+1/4
 40  y+1/2,-x+1/4,-z+3/4
 41  -x+1/4,-z+3/4,y+1/2
 42  x+1/2,-z+1/4,-y+3/4
 43  x,z,y
 44  -x+3/4,z+1/2,-y+1/4
 45  -z+1/4,-y+3/4,x+1/2
 46  -z+3/4,y+1/2,-x+1/4
 47  z+1/2,-y+1/4,-x+3/4
 48  z,y,x
 49  x,y+1/2,z+1/2
 50  -x+3/4,-y+3/4,z
 51  -x+1/4,y,-z+1/4
 52  x+1/2,-y+1/4,-z+3/4
 53  z,x+1/2,y+1/2
 54  z+1/2,-x+1/4,-y+3/4
 55  -z+3/4,-x+3/4,y
 56  -z+1/4,x,-y+1/4
 57  y,z+1/2,x+1/2
 58  -y+1/4,z,-x+1/4
 59  y+1/2,-z+1/4,-x+3/4
 60  -y+3/4,-z+3/4,x
 61  y+3/4,x+3/4,-z
 62  -y,-x+1/2,-z+1/2
 63  y+1/4,-x,z+1/4
 64  -y+1/2,x+1/4,z+3/4
 65  x+3/4,z+3/4,-y
 66  -x+1/2,z+1/4,y+3/4
 67  -x,-z+1/2,-y+1/2
 68  x+1/4,-z,y+1/4
 69  z+3/4,y+3/4,-x
 70  z+1/4,-y,x+1/4
 71  -z+1/2,y+1/4,x+3/4
 72  -z,-y+1/2,-x+1/2
 73  -x,-y+1/2,-z+1/2
 74  x+1/4,y+1/4,-z
 75  x+3/4,-y,z+3/4
 76  -x+1/2,y+3/4,z+1/4
 77  -z,-x+1/2,-y+1/2
 78  -z+1/2,x+3/4,y+1/4
 79  z+1/4,x+1/4,-y
 80  z+3/4,-x,y+3/4
 81  -y,-z+1/2,-x+1/2
 82  y+3/4,-z,x+3/4
 83  -y+1/2,z+3/4,x+1/4
 84  y+1/4,z+1/4,-x
 85  -y+1/4,-x+1/4,z
 86  y,x+1/2,z+1/2
 87  -y+3/4,x,-z+3/4
 88  y+1/2,-x+3/4,-z+1/4
 89  -x+1/4,-z+1/4,y
 90  x+1/2,-z+3/4,-y+1/4
 91  x,z+1/2,y+1/2
 92  -x+3/4,z,-y+3/4
 93  -z+1/4,-y+1/4,x
 94  -z+3/4,y,-x+3/4
 95  z+1/2,-y+3/4,-x+1/4
 96  z,y+1/2,x+1/2
 97  x+1/2,y,z+1/2
 98  -x+1/4,-y+1/4,z
 99  -x+3/4,y+1/2,-z+1/4
 100 x,-y+3/4,-z+3/4
 101 z+1/2,x,y+1/2
 102 z,-x+3/4,-y+3/4
 103 -z+1/4,-x+1/4,y
 104 -z+3/4,x+1/2,-y+1/4
 105 y+1/2,z,x+1/2
 106 -y+3/4,z+1/2,-x+1/4
 107 y,-z+3/4,-x+3/4
 108 -y+1/4,-z+1/4,x
 109 y+1/4,x+1/4,-z
 110 -y+1/2,-x,-z+1/2
 111 y+3/4,-x+1/2,z+1/4
 112 -y,x+3/4,z+3/4
 113 x+1/4,z+1/4,-y
 114 -x,z+3/4,y+3/4
 115 -x+1/2,-z,-y+1/2
 116 x+3/4,-z+1/2,y+1/4
 117 z+1/4,y+1/4,-x
 118 z+3/4,-y+1/2,x+1/4
 119 -z,y+3/4,x+3/4
 120 -z+1/2,-y,-x+1/2
 121 -x+1/2,-y,-z+1/2
 122 x+3/4,y+3/4,-z
 123 x+1/4,-y+1/2,z+3/4
 124 -x,y+1/4,z+1/4
 125 -z+1/2,-x,-y+1/2
 126 -z,x+1/4,y+1/4
 127 z+3/4,x+3/4,-y
 128 z+1/4,-x+1/2,y+3/4
 129 -y+1/2,-z,-x+1/2
 130 y+1/4,-z+1/2,x+3/4
 131 -y,z+1/4,x+1/4
 132 y+3/4,z+3/4,-x
 133 -y+3/4,-x+3/4,z
 134 y+1/2,x,z+1/2
 135 -y+1/4,x+1/2,-z+3/4
 136 y,-x+1/4,-z+1/4
 137 -x+3/4,-z+3/4,y
 138 x,-z+1/4,-y+1/4
 139 x+1/2,z,y+1/2
 140 -x+1/4,z+1/2,-y+3/4
 141 -z+3/4,-y+3/4,x
 142 -z+1/4,y+1/2,-x+3/4
 143 z,-y+1/4,-x+1/4
 144 z+1/2,y,x+1/2
 145 x+1/2,y+1/2,z
 146 -x+1/4,-y+3/4,z+1/2
 147 -x+3/4,y,-z+3/4
 148 x,-y+1/4,-z+1/4
 149 z+1/2,x+1/2,y
 150 z,-x+1/4,-y+1/4
 151 -z+1/4,-x+3/4,y+1/2
 152 -z+3/4,x,-y+3/4
 153 y+1/2,z+1/2,x
 154 -y+3/4,z,-x+3/4
 155 y,-z+1/4,-x+1/4
 156 -y+1/4,-z+3/4,x+1/2
 157 y+1/4,x+3/4,-z+1/2
 158 -y+1/2,-x+1/2,-z
 159 y+3/4,-x,z+3/4
 160 -y,x+1/4,z+1/4
 161 x+1/4,z+3/4,-y+1/2
 162 -x,z+1/4,y+1/4
 163 -x+1/2,-z+1/2,-y
 164 x+3/4,-z,y+3/4
 165 z+1/4,y+3/4,-x+1/2
 166 z+3/4,-y,x+3/4
 167 -z,y+1/4,x+1/4
 168 -z+1/2,-y+1/2,-x
 169 -x+1/2,-y+1/2,-z
 170 x+3/4,y+1/4,-z+1/2
 171 x+1/4,-y,z+1/4
 172 -x,y+3/4,z+3/4
 173 -z+1/2,-x+1/2,-y
 174 -z,x+3/4,y+3/4
 175 z+3/4,x+1/4,-y+1/2
 176 z+1/4,-x,y+1/4
 177 -y+1/2,-z+1/2,-x
 178 y+1/4,-z,x+1/4
 179 -y,z+3/4,x+3/4
 180 y+3/4,z+1/4,-x+1/2
 181 -y+3/4,-x+1/4,z+1/2
 182 y+1/2,x+1/2,z
 183 -y+1/4,x,-z+1/4
 184 y,-x+3/4,-z+3/4
 185 -x+3/4,-z+1/4,y+1/2
 186 x,-z+3/4,-y+3/4
 187 x+1/2,z+1/2,y
 188 -x+1/4,z,-y+1/4
 189 -z+3/4,-y+1/4,x+1/2
 190 -z+1/4,y,-x+1/4
 191 z,-y+3/4,-x+3/4
 192 z+1/2,y+1/2,x
_cell_length_a                           17.4416(15)
_cell_length_b                           17.4416(15)
_cell_length_c                           17.4416(15)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             5305.9(8)
_cell_formula_units_Z                    8
_cell_measurement_temperature            473(3)
_cell_special_details
; ?
;
_exptl_crystal_description               'powder'
_exptl_crystal_colour                    'blue'
_exptl_crystal_size_max                  ?
_exptl_crystal_size_mid                  ?
_exptl_crystal_size_min                  ?
_exptl_crystal_density_diffrn            1.4992
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     2280
_exptl_absorpt_coefficient_mu            3.057
_exptl_absorpt_correction_type           ?
_exptl_absorpt_process_details           ?
_exptl_absorpt_correction_T_min          ?
_exptl_absorpt_correction_T_max          ?

_exptl_special_details                   ?

_diffrn_ambient_temperature              473(3)
_diffrn_source                           X-ray
_diffrn_source_target                    'Cu'
_diffrn_source_type                      'fine-focus sealed tube'
_diffrn_radiation_type                   'Cu K\a'
_diffrn_radiation_wavelength             1.54051
_diffrn_radiation_monochromator          germanium
_diffrn_measurement_device               'PANalytical X'PERT PRO MPD'
_diffrn_measurement_device_type          'Bragg-Brentano'
_diffrn_detector                         'PIXcel'
_diffrn_detector_type                    PSD
_pd_meas_number_of_points                4089
_pd_meas_2theta_range_min                8.220
_pd_meas_2theta_range_max                89.980
_pd_meas_2theta_range_inc                0.02
_pd_proc_ls_profile_function             'Pseudo-Voigt'
_pd_proc_ls_background_function          '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr             none
_pd_proc_ls_prof_R_factor                0.0464
_pd_proc_ls_prof_wR_factor               0.0732
_pd_proc_ls_prof_wR_expected             0.0149

_refine_special_details
; ?
;
_refine_ls_R_factor_gt                   0.0850
_refine_ls_wR_factor_gt                  0.1254
_refine_ls_R_factor_all                  0.0976
_refine_ls_wR_factor_ref                 0.0958
_refine_ls_number_parameters             24
_refine_ls_number_restraints             4
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             ?
_refine_ls_hydrogen_treatment            'constr'
_refine_ls_shift/su_max                  0.0413
_refine_ls_shift/su_mean                 0.0091
_refine_ls_extinction_method             ?
_refine_ls_extinction_coef               ?

_pd_proc_2theta_range_min                8.22
_pd_proc_2theta_range_max                89.98
_pd_proc_2theta_range_inc                0.02
_pd_proc_wavelength                      ?

_computing_data_collection               'Diffractometer software'
_computing_cell_refinement               'PROSZKI'
_computing_data_reduction                ?
_computing_structure_solution            'EXPO2009'
_computing_structure_refinement          'Jana2006'
_computing_molecular_graphics            'Mercury 2.3'
_computing_publication_material          'Jana2006'


loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  C1 C 0.0977(3) 0.3758(4) 0.0977(3) Uiso 0.047(5) 96 1 d . . .
  Cu1 Cu 0 0.5 0 Uiso 0.056(2) 16 1 d . . .
  Cu2 Cu 0.125 0.625 0.125 Uiso 0.047(3) 8 1 d . . .
  N1 N 0.08042(10) 0.4489(3) 0.08042(10) Uiso 0.066(4) 96 1 d . . .
  N2 N 0.125 0.4922(5) 0.125 Uiso 0.039(5) 48 1 d . . .
  H1 H 0.075616 0.332552 0.075616 Uiso 0.038 96 1 d . . .



loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  C1 C1 . 51_555 1.349(7) yes
  C1 N1 . . 1.344(8) yes
  C1 N1 . 51_555 2.185(7) yes
  C1 N2 . . 2.139(11) yes
  C1 H1 . . 0.930(6) yes
  C1 H1 . 51_555 2.037(6) yes
  Cu1 N1 . . 2.174(3) yes
  Cu1 N1 . 53_554 2.174(3) yes
  Cu1 N1 . 153_455 2.174(3) yes
  Cu1 N1 . 158_555 2.174(3) yes
  Cu1 N1 . 67_555 2.174(3) yes
  Cu1 N1 . 24_565 2.174(3) yes
  Cu1 N2 . . 3.0863(4) yes
  Cu1 N2 . 53_554 3.0863(4) yes
  Cu1 N2 . 153_455 3.0863(4) yes
  Cu1 N2 . 158_555 3.0863(4) yes
  Cu1 N2 . 17_455 3.0863(4) yes
  Cu1 N2 . 166_464 3.0863(4) yes
  Cu2 N2 . . 2.317(9) yes
  Cu2 N2 . 98_565 2.317(9) yes
  Cu2 N2 . 53_554 2.317(9) yes
  Cu2 N2 . 102_555 2.317(9) yes
  Cu2 N2 . 153_455 2.317(9) yes
  Cu2 N2 . 106_555 2.317(9) yes
  N1 N1 . 51_555 2.199(2) yes
  N1 N1 . 158_555 2.897(3) yes
  N1 N1 . 67_555 2.897(3) yes
  N1 N2 . . 1.334(6) yes
  N1 H1 . . 2.033(5) yes

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
 C1 C1 N1 51_555 . . 108.4(5) yes
  C1 C1 N1 51_555 . 51_555 35.7(4) yes
  C1 C1 N2 51_555 . . 71.6(4) yes
  N1 C1 N1 . . 51_555 72.7(3) yes
  N1 C1 N2 . . . 36.8(2) yes
  N1 C1 N2 51_555 . . 35.91(17) yes
  N1 Cu1 N1 . . 53_554 96.46(13) yes
  N1 Cu1 N1 . . 153_455 96.46(13) yes
  N1 Cu1 N1 . . 158_555 83.54(13) yes
  N1 Cu1 N1 . . 67_555 83.54(13) yes
  N1 Cu1 N1 . . 24_565 180.0(5) yes
  N1 Cu1 N2 . . . 21.7(2) yes
  N1 Cu1 N2 . . 53_554 82.09(15) yes
  N1 Cu1 N2 . . 153_455 82.09(15) yes
  N1 Cu1 N2 . . 158_555 97.91(15) yes
  N1 Cu1 N2 . . 17_455 97.91(15) yes
  N1 Cu1 N2 . . 166_464 158.3(2) yes
  N1 Cu1 N1 53_554 . 153_455 96.46(13) yes
  N1 Cu1 N1 53_554 . 158_555 83.54(13) yes
  N1 Cu1 N1 53_554 . 67_555 180.0(5) yes
  N1 Cu1 N1 53_554 . 24_565 83.54(13) yes
  N1 Cu1 N2 53_554 . . 82.09(15) yes
  N1 Cu1 N2 53_554 . 53_554 21.7(2) yes
  N1 Cu1 N2 53_554 . 153_455 82.09(15) yes
  N1 Cu1 N2 53_554 . 158_555 97.91(15) yes
  N1 Cu1 N2 53_554 . 17_455 158.3(2) yes
  N1 Cu1 N2 53_554 . 166_464 97.91(15) yes
  N1 Cu1 N1 153_455 . 158_555 180.0(5) yes
  N1 Cu1 N1 153_455 . 67_555 83.54(13) yes
  N1 Cu1 N1 153_455 . 24_565 83.54(13) yes
  N1 Cu1 N2 153_455 . . 82.09(15) yes
  N1 Cu1 N2 153_455 . 53_554 82.09(15) yes
  N1 Cu1 N2 153_455 . 153_455 21.7(2) yes
  N1 Cu1 N2 153_455 . 158_555 158.3(2) yes
  N1 Cu1 N2 153_455 . 17_455 97.91(15) yes
  N1 Cu1 N2 153_455 . 166_464 97.91(15) yes
  N1 Cu1 N1 158_555 . 67_555 96.46(13) yes
  N1 Cu1 N1 158_555 . 24_565 96.46(13) yes
  N1 Cu1 N2 158_555 . . 97.91(15) yes
  N1 Cu1 N2 158_555 . 53_554 97.91(15) yes
  N1 Cu1 N2 158_555 . 153_455 158.3(2) yes
  N1 Cu1 N2 158_555 . 158_555 21.7(2) yes
  N1 Cu1 N2 158_555 . 17_455 82.09(15) yes
  N1 Cu1 N2 158_555 . 166_464 82.09(15) yes
  N1 Cu1 N1 67_555 . 24_565 96.46(13) yes
  N1 Cu1 N2 67_555 . . 97.91(15) yes
  N1 Cu1 N2 67_555 . 53_554 158.3(2) yes
  N1 Cu1 N2 67_555 . 153_455 97.91(15) yes
  N1 Cu1 N2 67_555 . 158_555 82.09(15) yes
  N1 Cu1 N2 67_555 . 17_455 21.7(2) yes
  N1 Cu1 N2 67_555 . 166_464 82.09(15) yes
  N1 Cu1 N2 24_565 . . 158.3(2) yes
  N1 Cu1 N2 24_565 . 53_554 97.91(15) yes
  N1 Cu1 N2 24_565 . 153_455 97.91(15) yes
  N1 Cu1 N2 24_565 . 158_555 82.09(15) yes
  N1 Cu1 N2 24_565 . 17_455 82.09(15) yes
  N1 Cu1 N2 24_565 . 166_464 21.7(2) yes
  N2 Cu1 N2 . . 53_554 64.12(18) yes
  N2 Cu1 N2 . . 153_455 64.12(18) yes
  N2 Cu1 N2 . . 158_555 115.88(18) yes
  N2 Cu1 N2 . . 17_455 115.88(18) yes
  N2 Cu1 N2 . . 166_464 180.0(5) yes
  N2 Cu1 N2 53_554 . 153_455 64.12(18) yes
  N2 Cu1 N2 53_554 . 158_555 115.88(18) yes
  N2 Cu1 N2 53_554 . 17_455 180.0(5) yes
  N2 Cu1 N2 53_554 . 166_464 115.88(18) yes
  N2 Cu1 N2 153_455 . 158_555 180.0(5) yes
  N2 Cu1 N2 153_455 . 17_455 115.88(18) yes
  N2 Cu1 N2 153_455 . 166_464 115.88(18) yes
  N2 Cu1 N2 158_555 . 17_455 64.12(18) yes
  N2 Cu1 N2 158_555 . 166_464 64.12(18) yes
  N2 Cu1 N2 17_455 . 166_464 64.12(18) yes
  N2 Cu2 N2 . . 98_565 180.0(5) yes
  N2 Cu2 N2 . . 53_554 90 yes
  N2 Cu2 N2 . . 102_555 90 yes
  N2 Cu2 N2 . . 153_455 90 yes
  N2 Cu2 N2 . . 106_555 90 yes
  N2 Cu2 N2 98_565 . 53_554 90 yes
  N2 Cu2 N2 98_565 . 102_555 90 yes
  N2 Cu2 N2 98_565 . 153_455 90 yes
  N2 Cu2 N2 98_565 . 106_555 90 yes
  N2 Cu2 N2 53_554 . 102_555 180.0(5) yes
  N2 Cu2 N2 53_554 . 153_455 90 yes
  N2 Cu2 N2 53_554 . 106_555 90 yes
  N2 Cu2 N2 102_555 . 153_455 90 yes
  N2 Cu2 N2 102_555 . 106_555 90 yes
  N2 Cu2 N2 153_455 . 106_555 180.0(5) yes
  C1 N1 C1 . . 51_555 35.8(3) yes
  C1 N1 Cu1 . . . 132.6(3) yes
  C1 N1 N1 . . 51_555 71.6(3) yes
  C1 N1 N1 . . 158_555 95.1(3) yes
  C1 N1 N1 . . 67_555 95.1(3) yes
  C1 N1 N2 . . . 106.0(4) yes
  C1 N1 Cu1 51_555 . . 168.5(3) yes
  C1 N1 N1 51_555 . 51_555 35.7(2) yes
  C1 N1 N1 51_555 . 158_555 123.7(2) yes
  C1 N1 N1 51_555 . 67_555 123.7(2) yes
  C1 N1 N2 51_555 . . 70.2(4) yes
  Cu1 N1 N1 . . 51_555 155.8(3) yes
  Cu1 N1 N1 . . 158_555 48.23(9) yes
  Cu1 N1 N1 . . 67_555 48.23(9) yes
  Cu1 N1 N2 . . . 121.4(4) yes
  N1 N1 N1 51_555 . 158_555 144.05(15) yes
  N1 N1 N1 51_555 . 67_555 144.05(15) yes
  N1 N1 N2 51_555 . . 34.4(3) yes
  N1 N1 N1 158_555 . 67_555 68.09(15) yes
  N1 N1 N2 158_555 . . 140.1(2) yes
  N1 N1 N2 67_555 . . 140.1(2) yes
  C1 N2 C1 . . 51_555 36.8(3) yes
  C1 N2 Cu1 . . . 74.16(17) yes
  C1 N2 Cu1 . . 51_555 110.9(3) yes
  C1 N2 Cu2 . . . 161.62(16) yes
  C1 N2 N1 . . . 37.2(3) yes
  C1 N2 N1 . . 51_555 73.9(5) yes
  C1 N2 Cu1 51_555 . . 110.9(3) yes
  C1 N2 Cu1 51_555 . 51_555 74.16(17) yes
  C1 N2 Cu2 51_555 . . 161.62(16) yes
  C1 N2 N1 51_555 . . 73.9(5) yes
  C1 N2 N1 51_555 . 51_555 37.2(3) yes
  Cu1 N2 Cu1 . . 51_555 174.9(3) yes
  Cu1 N2 Cu2 . . . 87.46(16) yes
  Cu1 N2 N1 . . . 37.0(2) yes
  Cu1 N2 N1 . . 51_555 148.1(5) yes
  Cu1 N2 Cu2 51_555 . . 87.46(16) yes
  Cu1 N2 N1 51_555 . . 148.1(5) yes
  Cu1 N2 N1 51_555 . 51_555 37.0(2) yes
  Cu2 N2 N1 . . . 124.4(4) yes
  Cu2 N2 N1 . . 51_555 124.4(4) yes
  N1 N2 N1 . . 51_555 111.1(7) yes





