Fluorescent biogenic Schiff base compounds of dimethyltin
Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin; New Journal of Chemistry 42 (2018) 1655–; doi:10.1039/C7NJ03731G

data_7056803
_publ_section_title
;
 Fluorescent biogenic Schiff base compounds of dimethyltin
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1655
_journal_paper_doi               10.1039/C7NJ03731G
_journal_volume                  42
_journal_year                    2018
_chemical_compound_source        None
_chemical_formula_moiety         'C19 H23 N O5 Sn'
_chemical_formula_sum            'C19 H23 N O5 Sn'
_chemical_formula_weight         464.07
_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
;
2017-11-29 deposited with the CCDC.
2017-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                79.173(7)
_cell_angle_beta                 65.013(7)
_cell_angle_gamma                68.424(7)
_cell_formula_units_Z            2
_cell_length_a                   9.5407(9)
_cell_length_b                   10.9474(9)
_cell_length_c                   11.1232(11)
_cell_measurement_reflns_used    32792
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      30.23
_cell_measurement_theta_min      2.49
_cell_volume                     978.52(17)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    ORTEP32(Farrugia)
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0213
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16464
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         2.528
_exptl_absorpt_coefficient_mu    1.334
_exptl_absorpt_correction_T_max  0.7889
_exptl_absorpt_correction_T_min  0.7084
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   XShape
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             468
_exptl_crystal_preparation       Fluorescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Methanol'
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.320
_refine_diff_density_max         0.662
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         4732
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0204
_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^)+(0.0238P)^2^+0.4443P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0523
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4518
_reflns_number_total             4732
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj03731g2.cif
_cod_data_source_block           varka_navmea6_01
_cod_depositor_comments
'Adding full bibliography for 7056801--7056803.cif.'
_cod_database_code               7056803
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.604
_shelx_estimated_absorpt_t_max   0.675
_shelx_res_checksum              50606