Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism
Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu; Inorganic Chemistry 50 (2011) 7618–7624; doi:10.1021/ic200640g

data_4325877
_publ_section_title
;
 Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by
 Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate
 or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence
 Thermochromism
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7618
_journal_page_last               7624
_journal_paper_doi               10.1021/ic200640g
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C50 H56 Cd5 N16 O29 S4'
_chemical_formula_weight         2035.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 94.048(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3162(8)
_cell_length_b                   20.6527(18)
_cell_length_c                   36.859(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7074.2(13)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            24938
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    1.690
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5830
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Light-yellow
_exptl_crystal_density_diffrn    1.911
_exptl_crystal_description       Sheet
_exptl_crystal_F_000             4016
_exptl_crystal_size_max          0.2100
_exptl_crystal_size_mid          0.1700
_exptl_crystal_size_min          0.0500
_refine_diff_density_max         1.501
_refine_diff_density_min         -1.266
_refine_diff_density_rms         0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8003
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0569
_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^)+(0.1114P)^2^+17.7449P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1693
_refine_ls_wR_factor_ref         0.1904
_reflns_number_gt                6570
_reflns_number_total             8003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200640g_si_002.cif
_cod_data_source_block           a
_cod_original_cell_volume        7074.1(13)
_cod_database_code               4325877