Three mixed-ligand coordination networks modulated by flexible N-donor ligands: syntheses, topological structures, and temperature-sensitive luminescence properties
Yan, Zhi-Hao; Han, Lu-Lu; Zhao, Ya-Qin; Li, Xiao-Yu; Wang, Xing-Po; Wang, Lei; Sun, Di; CrystEngComm 16 (2014) 8747–; doi:10.1039/C4CE01270D

data_7217115
_publ_section_title
;
 Three mixed-ligand coordination networks modulated by flexible N-donor
 ligands: syntheses, topological structures, and temperature-sensitive
 luminescence properties
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              8747
_journal_paper_doi               10.1039/C4CE01270D
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C40 H40 Br8 N8 O10 Zn2'
_chemical_formula_weight         1562.82
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.043(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.333(6)
_cell_length_b                   21.282(8)
_cell_length_c                   17.076(7)
_cell_measurement_temperature    298(2)
_cell_volume                     5208(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0919
_diffrn_reflns_av_sigmaI/netI    0.1330
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23875
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    7.119
_exptl_absorpt_correction_T_max  0.7173
_exptl_absorpt_correction_T_min  0.4148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.427
_refine_diff_density_min         -1.098
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9044
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1736
_refine_ls_R_factor_gt           0.1000
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1565P)^2^+38.8321P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2657
_refine_ls_wR_factor_ref         0.3123
_reflns_number_gt                4718
_reflns_number_total             9044
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01270d2.cif
_cod_data_source_block           p1
_cod_depositor_comments
'Adding full bibliography for 7217115--7217117.cif.'
_cod_database_code               7217115