New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition
Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M.; RSC Advances 11 (2021) 24515–24525; doi:10.1039/D1RA03096E

data_7243228
_publ_section_title
;
 New dinuclear zinc(ii) complexes with Schiff bases obtained from
 o-phenylenediamine and their application as fluorescent materials in spin
 coating deposition
;
_journal_issue                   40
_journal_name_full               'RSC Advances'
_journal_page_first              24515
_journal_page_last               24525
_journal_paper_doi               10.1039/D1RA03096E
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety
'(Zn 2+)2, (C30 H22 N4 O2 2-), (C H3 O 1-)1.4, (O H 1-)0.6, (H2 O)2'
_chemical_formula_sum            'C31.4 H30.8 N4 O6 Zn2'
_chemical_formula_weight         690.94
_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_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-07-04 deposited with the CCDC.	2021-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                84.53(3)
_cell_angle_beta                 88.28(3)
_cell_angle_gamma                65.61(3)
_cell_formula_units_Z            1
_cell_length_a                   8.4210(17)
_cell_length_b                   8.7490(17)
_cell_length_c                   10.713(2)
_cell_measurement_reflns_used    11267
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.451
_cell_measurement_theta_min      2.150
_cell_volume                     715.5(3)
_computing_cell_refinement       xdsapp
_computing_data_collection       xdsapp
_computing_data_reduction        'XDS and CrysAlis'
_computing_molecular_graphics    'WinGX version 1.80.03'
_computing_publication_material  ciftab
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.896
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_device_type  'Desy/HZB nanodiffractometer'
_diffrn_measurement_method       'single axis rotation'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7999
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0563
_diffrn_reflns_Laue_measured_fraction_full 0.896
_diffrn_reflns_Laue_measured_fraction_max 0.889
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8721
_diffrn_reflns_point_group_measured_fraction_full 0.896
_diffrn_reflns_point_group_measured_fraction_max 0.889
_diffrn_reflns_theta_full        28.681
_diffrn_reflns_theta_max         29.992
_diffrn_reflns_theta_min         2.149
_diffrn_source                   synchrotron
_diffrn_source_type              'MX14-2 beamline, BESSY II, HZB (Berlin)'
_exptl_absorpt_coefficient_mu    2.301
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrysAlis CCD, Oxford 2001'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_description       plate
_exptl_crystal_F_000             355
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.015
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         2601
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0592
_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^)+(0.0665P)^2^+3.9944P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1518
_refine_ls_wR_factor_ref         0.1805
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1899
_reflns_number_total             2601
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra03096e2.cif
_cod_data_source_block           11be25-p-1_a
_cod_original_formula_sum        'C31.40 H30.80 N4 O6 Zn2'
_cod_database_code               7243228
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.874
_shelx_estimated_absorpt_t_max   0.966
_shelx_res_checksum              62244