Five solvent-induced cadmium coordination polymers (CPs) based on the same mixed ligands
Hou, Yuan-Feng; Liu, Bo; Yue, Ke-Fen; Zhou, Chun-Sheng; Wang, Yi-Meng; Yan, Ni; Wang, Yao-Yu; CrystEngComm 16 (2014) 9560–; doi:10.1039/C4CE01359J

data_7217810
_publ_section_title
;
 Five solvent-induced cadmium coordination polymers (CPs) based on the
 same mixed ligands
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              9560
_journal_paper_doi               10.1039/C4CE01359J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C29 H27 Br2 Cd2 N4 O9'
_chemical_formula_weight         960.17
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 89.167(7)
_cell_angle_gamma                79.774(8)
_cell_formula_units_Z            2
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_cell_length_b                   10.386(4)
_cell_length_c                   17.553(6)
_cell_measurement_reflns_used    548
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.0
_cell_measurement_theta_min      2.4
_cell_volume                     1647.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0650
_diffrn_reflns_av_sigmaI/netI    0.1702
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8978
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_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    3.772
_exptl_absorpt_correction_T_max  0.5836
_exptl_absorpt_correction_T_min  0.4181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.935
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             934
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
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_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6360
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_refine_ls_R_factor_all          0.1435
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0060P)^2^+0.5000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1255
_reflns_number_gt                3371
_reflns_number_total             6360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01359j2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7217809--7217813.cif.'
_cod_original_cell_volume        1648.0(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7217810