Syntheses, Structures, and Photoluminescent Properties of Lanthanide Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate Ligand
Li, Han-Ning; Li, Hai-Yang; Li, Lin-Ke; Xu, Li; Hou, Kai; Zang, Shuang-Quan; Mak, Thomas C. W.; Crystal Growth & Design 15 (2015) 4331–; doi:10.1021/acs.cgd.5b00625

data_4516320
_publ_section_title
;
 Syntheses, Structures, and Photoluminescent Properties of Lanthanide
 Coordination Polymers Based on a Zwitterionic Aromatic Polycarboxylate
 Ligand
;
_journal_issue                   9
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4331
_journal_paper_doi               10.1021/acs.cgd.5b00625
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C15 H13 Eu N O8, Cl, 3(H2 O)'
_chemical_formula_sum            'C15 H19 Cl Eu N O11'
_chemical_formula_weight         576.73
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                95.853(4)
_cell_angle_beta                 112.751(6)
_cell_angle_gamma                110.950(5)
_cell_formula_units_Z            2
_cell_length_a                   9.8876(7)
_cell_length_b                   10.2189(4)
_cell_length_c                   12.3454(6)
_cell_measurement_reflns_used    4169
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1531
_cell_measurement_theta_min      3.2682
_cell_volume                     1031.64(13)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7699
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    3.226
_exptl_absorpt_correction_T_max  0.595
_exptl_absorpt_correction_T_min  0.527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.093
_refine_diff_density_min         -1.623
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3618
_refine_ls_number_restraints     388
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0552
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0957P)^2^+2.0456P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1550
_refine_ls_wR_factor_ref         0.1622
_reflns_number_gt                3213
_reflns_number_total             3618
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00625_si_002.cif
_cod_data_source_block           Eu
_cod_original_cell_volume        1031.64(10)
_cod_database_code               4516320