One-pot microwave-assisted synthesis of organotin Schiff bases: an optical and electrochemical study towards their effects in organic solar cells
Cantón-Díaz, Arelly M.; Muñoz-Flores, Blanca M.; Moggio, Ivana; Arias, Eduardo; De León, Arxel; García-López, María C.; Santillán, Rosa; Ochoa, María E.; Jiménez-Pérez, Víctor M.; New Journal of Chemistry 42 (2018) 14586–; doi:10.1039/C8NJ02998A

data_7057580
_publ_section_title
;
 One-pot microwave-assisted synthesis of organotin Schiff bases: an
 optical and electrochemical study towards their effects in organic solar
 cells
;
_journal_issue                   17
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14586
_journal_paper_doi               10.1039/C8NJ02998A
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C25 H29 N O2 Sn'
_chemical_formula_weight         494.18
_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-2017/1
_audit_update_record
;
2017-11-29 deposited with the CCDC.
2018-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                115.990(2)
_cell_angle_beta                 94.709(2)
_cell_angle_gamma                104.671(2)
_cell_formula_units_Z            4
_cell_length_a                   12.1038(5)
_cell_length_b                   14.7568(6)
_cell_length_c                   15.3023(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2317.36(17)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.986
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0782
_diffrn_reflns_av_unetI/netI     0.0825
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30686
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_min         3.038
_exptl_absorpt_coefficient_mu    1.122
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_F_000             1008
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.981
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         10500
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.1320
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          1.252
_refine_ls_shift/su_mean         0.044
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0871P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1305
_refine_ls_wR_factor_ref         0.1661
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5139
_reflns_number_total             10500
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj02998a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7057580--7057582.cif.'
_cod_database_code               7057580
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              84137