Two mixed-valence copper(I,II) imidazolate coordination polymers: metal-valence tuning approach for new topological structures.
Huang, Xiao-Chun; Zhang, Jie-Peng; Lin, Yan-Yong; Yu, Xiao-Lan; Chen, Xiao-Ming; Chemical communications (Cambridge, England)  (2004) 1100–1101; doi:10.1039/b401691b

data_7102626
_publ_section_title
;
 Two mixed-valence copper(I,II) imidazolate coordination polymers:
 metal-valence tuning approach for new topological structures.
;
_journal_issue                   9
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1100
_journal_page_last               1101
_journal_paper_doi               10.1039/b401691b
_journal_year                    2004
_chemical_formula_sum            'C12 H12 Cu3 N8'
_chemical_formula_weight         458.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.550(2)
_cell_angle_beta                 90.044(2)
_cell_angle_gamma                90.586(2)
_cell_formula_units_Z            1
_cell_length_a                   5.5367(5)
_cell_length_b                   6.7153(6)
_cell_length_c                   10.0436(9)
_cell_measurement_temperature    123(2)
_cell_volume                     359.74(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3216
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    4.404
_exptl_absorpt_correction_T_max  0.8099
_exptl_absorpt_correction_T_min  0.6201
_exptl_crystal_density_diffrn    2.118
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             227
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.868
_refine_diff_density_min         -0.978
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0446
_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/[\s^2^(Fo^2^)+(0.0508P)^2^+2.1590P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                1583
_reflns_number_total             1692
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b401691b.txt
_cod_data_source_block           cu
_cod_database_code               7102626