Construction of six new luminescent Ln(iii)‒Zn(ii) heterometallic coordination polymers based on heterometallic secondary building units
Zheng, Sheng-Run; Tan, Jing-Bo; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang; CrystEngComm 18 (2016) 8672–; doi:10.1039/C6CE01184E

data_7226766
_publ_section_title
;
 Construction of six new luminescent Ln(iii)--Zn(ii) heterometallic
 coordination polymers based on heterometallic secondary building units
;
_journal_issue                   44
_journal_name_full               CrystEngComm
_journal_page_first              8672
_journal_paper_doi               10.1039/C6CE01184E
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C18 H12.5 Eu N2.5 O13.5 Zn'
_chemical_formula_weight         697.13
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-10-01 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.250(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7602(7)
_cell_length_b                   10.3933(6)
_cell_length_c                   21.0922(11)
_cell_measurement_reflns_used    755
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.12
_cell_measurement_theta_min      2.39
_cell_volume                     2167.3(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            12306
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         1.959
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.054
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_description       block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_transmission_factor_max   0.788
_exptl_transmission_factor_min   0.729
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4712
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+1.8672P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0499
_refine_ls_wR_factor_ref         0.0515
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4326
_reflns_number_total             4712
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce01184e2.cif
_cod_data_source_block           1EuZn
_cod_depositor_comments
'Adding full bibliography for 7226766--7226771.cif.'
_cod_original_formula_sum        'C18 H12.50 Eu N2.50 O13.50 Zn'
_cod_database_code               7226766
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.419
_shelx_estimated_absorpt_t_max   0.498
_shelx_res_checksum              74820