A series of transition coordination polymers assembled by asymmetric dicarboxylic acid and flexible bridging ligand: Structural diversities, topologies and properties
Wang, Yan; Liu, Zhiqing; Zhou, Juhong; Wang, Tao; Wang, Suna; Liu, Guangxiang; Wang, Xiaoxiao; Gao, Ya; Xu, Jing; Inorganica Chimica Acta 400 (2013) 169–178; doi:

data_1516938
_publ_section_title
;
 A series of transition coordination polymers assembled by asymmetric
 dicarboxylic acid and flexible bridging ligand: Structural diversities,
 topologies and properties
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              169
_journal_page_last               178
_journal_volume                  400
_journal_year                    2013
_chemical_formula_sum            'C24 H20 Cd2 N3 O9'
_chemical_formula_weight         719.23
_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
_cell_angle_alpha                68.1730(10)
_cell_angle_beta                 86.445(2)
_cell_angle_gamma                72.8090(10)
_cell_formula_units_Z            2
_cell_length_a                   7.5872(6)
_cell_length_b                   12.2872(11)
_cell_length_c                   15.3589(15)
_cell_measurement_reflns_used    2514
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.144
_cell_measurement_theta_min      2.742
_cell_volume                     1268.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scan'
_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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6518
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    1.735
_exptl_absorpt_correction_T_max  0.8456
_exptl_absorpt_correction_T_min  0.7229
_exptl_absorpt_process_details   'SADABS, Bruker (2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             706
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.886
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         4385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0339
_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^)+(0.0347P)^2^+1.2926P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0847
_reflns_number_gt                3265
_reflns_number_total             4385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-400-169-178-2.cif
_cod_data_source_block           2
_cod_database_code               1516938