Crystal structure of bis{μ-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]
Carlos, Camacho-Camacho; Naytzé, Ortiz-Pastrana; Ariadna, Garza-Ortiz; Irma, Rojas-Oviedo; Acta Crystallographica Section E 73 (2017) 4–7; doi:10.1107/S2056989016018867

data_2241969
_publ_section_title
;
 Crystal structure of
 bis{\m-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-\k^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              4
_journal_page_last               7
_journal_paper_doi               10.1107/S2056989016018867
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Sn2 (C4 H9)4 (C16 H10 N2 O2)2]'
_chemical_formula_moiety         'C48 H56 N4 O4 Sn2'
_chemical_formula_sum            'C48 H56 N4 O4 Sn2'
_chemical_formula_weight         990.34
_chemical_melting_point_gt       198
_chemical_melting_point_lt       195
_chemical_name_systematic
Bis{\m-(<i>E</i>)-2-[(2-oxidophenylimino)methyl]quinolin-8-olato-\k^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis[dibutyltin(IV)]
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                89.4800(10)
_cell_angle_beta                 80.3450(10)
_cell_angle_gamma                60.8580(10)
_cell_formula_units_Z            2
_cell_length_a                   13.4874(7)
_cell_length_b                   13.7517(8)
_cell_length_c                   13.8397(8)
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      2.36
_cell_volume                     2202.4(2)
_computing_cell_refinement
;
APEX2 (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2012 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.434
_diffrn_reflns_theta_min         1.702
_exptl_absorpt_coefficient_mu    1.182
_exptl_absorpt_correction_T_max  0.8187
_exptl_absorpt_correction_T_min  0.6476
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.326
_exptl_crystal_size_mid          0.232
_exptl_crystal_size_min          0.216
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.697
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     591
_refine_ls_number_reflns         8017
_refine_ls_number_restraints     254
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+1.1148P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0770
_reflns_number_gt                6885
_reflns_number_total             8017
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bg2598sup1.cif
_cod_data_source_block           I
_cod_database_code               2241969
_shelx_estimated_absorpt_t_min   0.699
_shelx_estimated_absorpt_t_max   0.784
_shelx_hkl_checksum              96610
_shelx_res_checksum              63973
_cod_database_fobs_code 2241969