Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens
Khan, Tuhin; Datta, Anindya; Phys. Chem. Chem. Phys.  (2017) –; doi:10.1039/C7CP05429G

data_7229397
_publ_section_title
;
 Enhanced fluorescence with nanosecond dynamics in solid state of metal
 Ion complexes of alkoxy salophens
;
_journal_name_full               'Phys. Chem. Chem. Phys.'
_journal_paper_doi               10.1039/C7CP05429G
_journal_year                    2017
_chemical_formula_moiety         'C24 H26 Al N2 O6, N O3,2(C H4 O)'
_chemical_formula_sum            'C26 H34 Al N3 O11'
_chemical_formula_weight         591.54
_chemical_name_systematic        Al-3-ethoxysalophen
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-05-11 deposited with the CCDC.
2017-10-25 downloaded from the CCDC.
;
_cell_angle_alpha                107.399(6)
_cell_angle_beta                 107.229(6)
_cell_angle_gamma                110.276(6)
_cell_formula_units_Z            2
_cell_length_a                   10.8324(8)
_cell_length_b                   12.4673(8)
_cell_length_c                   12.7788(8)
_cell_measurement_reflns_used    4553
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      72.4300
_cell_measurement_theta_min      4.0560
_cell_volume                     1382.1(2)
_computing_cell_refinement       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.7b (Rigaku OD, 2015)'
_computing_molecular_graphics    'BRUKER SHELTXL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1060
_diffrn_reflns_av_unetI/netI     0.0828
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18272
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        64.985
_diffrn_reflns_theta_max         64.985
_diffrn_reflns_theta_min         4.052
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.222
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62013
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Methanol'
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.044
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         4635
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0701
_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^)+(0.0993P)^2^+1.1068P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.2030
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3347
_reflns_number_total             4635
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cp05429g2.cif
_cod_data_source_block           al-ethoxy
_cod_original_cell_volume        1382.11(18)
_cod_database_code               7229397
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              28353
_shelx_hkl_checksum              60363