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_7243227
_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, (C36 H34 N4 O2 2-), (C2 H3 O2 1-)2, (C2 H6 O)2'
_chemical_formula_sum            'C44 H52 N4 O8 Zn2'
_chemical_formula_weight         895.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-11-29 deposited with the CCDC.	2021-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.4230(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.44590(10)
_cell_length_b                   23.8241(3)
_cell_length_c                   20.1246(3)
_cell_measurement_reflns_used    13428
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.7870
_cell_measurement_theta_min      4.2480
_cell_volume                     4048.14(9)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'SuperNova (Cu) X-ray Source'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0378
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            37479
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.500
_diffrn_reflns_theta_min         2.875
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.946
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'CrysAlisPro 1.171.40.67a'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_description       needle
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.423
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         8285
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0495
_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^)+(0.0800P)^2^+2.7557P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1339
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6858
_reflns_number_total             8285
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra03096e2.cif
_cod_data_source_block           exp_3887
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7243227
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.685
_shelx_estimated_absorpt_t_max   0.962
_shelx_res_checksum              20759