Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable Optical Properties by Variation of the Alkyl Substitution of (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands
Dong, Yuwei; Fan, Ruiqing; Chen, Wei; Zhang, Huijie; Song, Yang; Du, Xi; Wang, Ping; Wei, Liguo; Yang, Yulin; RSC Adv.  (2016) –; doi:10.1039/C6RA20377A

data_7227114
_publ_section_title
;
 Luminescent Properties of Zn(II) Supramolecular Framework: Easily Tunable
 Optical Properties by Variation of the Alkyl Substitution of
 (E)-N-(Pyridine-2-ylethylidyne)arylamine Ligands
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA20377A
_journal_year                    2016
_chemical_formula_sum            'C14 H14 Cl2 N2 Zn'
_chemical_formula_weight         346.54
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-10-17 deposited with the CCDC.
2016-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                71.786(7)
_cell_angle_beta                 76.105(7)
_cell_angle_gamma                84.537(7)
_cell_formula_units_Z            4
_cell_length_a                   8.108(5)
_cell_length_b                   13.089(8)
_cell_length_c                   15.690(9)
_cell_measurement_reflns_used    11434
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.809
_cell_measurement_theta_min      1.401
_cell_volume                     1535.0(16)
_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-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.877
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.877
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11434
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.877
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.809
_diffrn_reflns_theta_min         1.401
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.935
_exptl_absorpt_correction_T_max  0.7734
_exptl_absorpt_correction_T_min  0.7221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       0.0008(6)
_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   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5771
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0512P)^2^+0.0983P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1084
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3868
_reflns_number_total             5771
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra20377a2.cif
_cod_data_source_block           e
_cod_original_cell_volume        1535.1(16)
_cod_database_code               7227114
_shelx_estimated_absorpt_t_min   0.722
_shelx_estimated_absorpt_t_max   0.773
_shelxl_version_number           2013-4
_shelx_res_checksum              14671