Crystal structure of {(<i>R</i>)-<i>N</i><sup>2</sup>-[(benzo[<i>h</i>]quinolin-2-yl)meth-yl]-<i>N</i><sup>2'</sup>-[(benzo[<i>h</i>]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethane-sulfonato-κ<i>O</i>)zinc(II)} trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.
Skokan, Shayna R.; Reeson, Monica M.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 949–953; doi:10.1107/S2056989017008027

data_2311386
_publ_section_title
;
 Crystal structure of
 {(<i>R</i>)-<i>N</i><sup>2</sup>-[(benzo[<i>h</i>]quinolin-2-yl)meth-yl]-<i>N</i><sup>2'</sup>-[(benzo[<i>h</i>]quinolin-2-yl)methyl-idene]-1,1'-binaphthyl-2,2'-di-amine-\k<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethane-sulfonato-\k<i>O</i>)zinc(II)}
 trifluoromethane-sulfonate di-chloro-methane 1.5-solvate.
;
_journal_coeditor_code           IM2476
_journal_issue                   'Pt 7'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              949
_journal_page_last               953
_journal_paper_doi               10.1107/S2056989017008027
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac
'[Zn (C48 H32 N4) (C F3 O3 S)] (C F3 O3 S), 1.5C H2 Cl2'
_chemical_formula_moiety
'C49 H32 F3 N4 O3 S Zn +, C F3 O3 S -, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C51.5 H35 Cl3 F6 N4 O6 S2 Zn'
_chemical_formula_weight         1155.70
_chemical_name_systematic
;{(<i>R</i>)-<i>N</i>^2^-[(Benzo[<i>h</i>]quinolin-2-yl)methyl]-<i>N</i>^2'^-[(benzo[<i>h</i>]quinolin-2-yl)methylidene]-1,1'-binaphthyl-2,2'-diamine-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''}(trifluoromethanesulfonato-\k<i>O</i>)zinc(II)} trifluoromethanesulfonate
dichloromethane 1.5-solvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.02 svn.r3394 for OlexSys, GUI svn.r5324)
;
_cell_angle_alpha                90
_cell_angle_beta                 94.165(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.837(4)
_cell_length_b                   23.126(7)
_cell_length_c                   17.836(5)
_cell_measurement_reflns_used    9757
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.811
_cell_measurement_theta_min      2.185
_cell_volume                     4870(3)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX2 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      120.03
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            100143
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.477
_diffrn_reflns_theta_min         1.145
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.834
_exptl_absorpt_correction_T_max  0.7436
_exptl_absorpt_correction_T_min  0.6912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2348
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.611
_refine_diff_density_min         -0.455
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 7334 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons et al., 2013)
;
_refine_ls_abs_structure_Flack   -0.008(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1373
_refine_ls_number_reflns         19958
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0387
_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^)+(0.0435P)^2^+1.1811P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.0917
_reflns_number_gt                17492
_reflns_number_total             19958
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            im2476sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C51.5 H35 Cl3 F6 N4 O6 S2 Zn1'
_cod_database_code               2311386
_shelx_estimated_absorpt_t_min   0.825
_shelx_estimated_absorpt_t_max   0.878
_shelx_hkl_checksum              21285
_shelx_res_checksum              95798