A Rare Chiral Self-Catenated Network Formed by Two Cationic and One Anionic Frameworks
Shi-Shen Zhang; Shun-Ze Zhan; Mian Li; Rong Peng; Dan Li; Inorganic Chemistry 46 (2007) 4365–4367; doi:10.1021/ic070250h

data_4308204
_publ_section_title
;
A Rare Chiral Self-Catenated Network Formed by Two Cationic and One Anionic
Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4365
_journal_page_last               4367
_journal_paper_doi               10.1021/ic070250h
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C26 H14 Cu4 N10 Zn'
_chemical_formula_weight         786.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           178
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61 2 (0 0 5)'
_symmetry_space_group_name_H-M   'P 61 2 2'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   14.6465(6)
_cell_length_b                   14.6465(6)
_cell_length_c                   41.974(3)
_cell_measurement_reflns_used    52670
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.89
_cell_measurement_theta_min      1.61
_cell_volume                     7797.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0525
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            52670
_diffrn_reflns_theta_full        27.89
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    4.168
_exptl_absorpt_correction_type   semi-expirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.009
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4632
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.949
_refine_diff_density_min         -0.594
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.039(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         6220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0439
_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^)+(0.0425P)^2^+9.2354P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0972
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                5391
_reflns_number_total             6220
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070250h-file001.cif
_cod_data_source_block           complex1
_cod_original_cell_volume        7797.9(8)
_cod_database_code               4308204