Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands
Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min; CrystEngComm 17 (2015) 4517–; doi:10.1039/C5CE00539F

data_7220292
_publ_section_title
;
 Syntheses, structures, magnetic and luminescence properties of a series
 of coordination polymers constructed from 1,4-naphthalenedicarboxylate
 and N-donor ligands
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4517
_journal_paper_doi               10.1039/C5CE00539F
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C48 H36 Cd2 N10 O11'
_chemical_formula_weight         1153.67
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-05 deposited with the CCDC.
2015-05-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 93.463(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7473(19)
_cell_length_b                   15.238(3)
_cell_length_c                   30.160(6)
_cell_measurement_reflns_used    24458
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.35
_cell_volume                     4471.5(15)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\w 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  0.0808
_diffrn_reflns_av_sigmaI/netI    0.0859
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            24458
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_T_max  0.7905
_exptl_absorpt_correction_T_min  0.7618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            block
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       orange
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.779
_refine_diff_density_min         -2.477
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.00081(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     763
_refine_ls_number_reflns         7868
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1349
_refine_ls_R_factor_gt           0.0821
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1267P)^2^+18.6707P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2085
_refine_ls_wR_factor_ref         0.2446
_reflns_number_gt                4729
_reflns_number_total             7868
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5ce00539f2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7220288--7220292.cif.'
_cod_original_cell_volume        4471.4(14)
_cod_original_sg_symbol_H-M      p2(1)/c
_cod_database_code               7220292