Synthesis, structure, luminescence and catalytic properties of cadmium(ii) coordination polymers with 9H-carbazole-2,7-dicarboxylic acid.
Yi, Xiu-Chun; Huang, Meng-Xuan; Qi, Yan; Gao, En-Qing; Dalton transactions (Cambridge, England : 2003) 43 (2014) 3691–3697; doi:10.1039/c3dt53109k

data_7029176
_publ_section_title
;
 Synthesis, structure, luminescence and catalytic properties of
 cadmium(ii) coordination polymers with 9H-carbazole-2,7-dicarboxylic
 acid.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3691
_journal_page_last               3697
_journal_paper_doi               10.1039/c3dt53109k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C80 H92 Cd4 N12 O28'
_chemical_formula_weight         2119.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                100.882(6)
_cell_angle_beta                 91.372(7)
_cell_angle_gamma                106.539(7)
_cell_formula_units_Z            1
_cell_length_a                   11.699(3)
_cell_length_b                   12.948(3)
_cell_length_c                   15.679(4)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.36
_cell_volume                     2228.2(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SMART'
_computing_publication_material  'Bruker SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0430
_diffrn_reflns_av_unetI/netI     0.0501
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22661
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.025
_exptl_absorpt_correction_T_max  0.9225
_exptl_absorpt_correction_T_min  0.8869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         2.214
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.200
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7679
_refine_ls_number_restraints     793
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0726P)^2^+4.3987P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1443
_refine_ls_wR_factor_ref         0.1590
_reflns_number_gt                5748
_reflns_number_total             7679
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53109k.txt
_cod_data_source_block           1
_cod_original_cell_volume        2228.1(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7029176