(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate
Seidel, Rüdiger W.; Dietz, Christina; Breidung, Jürgen; Goddard, Richard; Oppel, Iris M.; Acta Crystallographica Section C 69 (2013) 1112–1115; doi:10.1107/S0108270113023007

data_2019192
_publ_section_title
;
 (Hexafluorosilicato-\k^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')zinc(II)
 methanol monosolvate
;
_journal_coeditor_code           SK3504
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1112
_journal_page_last               1115
_journal_paper_doi               10.1107/S0108270113023007
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Zn (Si F6) (C12 H8 N2)2] , C H4 O'
_chemical_formula_moiety         'C24 H16 F6 N4 Si Zn, C H4 O'
_chemical_formula_sum            'C25 H20 F6 N4 O Si Zn'
_chemical_formula_weight         599.91
_chemical_name_systematic
'(Hexafluorosilicato-\k^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 100.896(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3701(3)
_cell_length_b                   12.7057(3)
_cell_length_c                   16.3139(4)
_cell_measurement_reflns_used    7125
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      26.4992
_cell_measurement_theta_min      2.8300
_cell_volume                     2314.30(10)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2012) and Mercury (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material  'enCIFer (Allen <i>et al.</i>, 2004)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 8.4171
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Agilent Xcalibur2'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24589
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.557
_diffrn_reflns_theta_min         2.897
_exptl_absorpt_coefficient_mu    1.191
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80941
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSPACK in CrysAlis PRO; Agilent, 2012)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.722
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         4819
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0306
_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^)+(0.0292P)^2^+1.4015P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0655
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                3856
_reflns_number_total             4819
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3504.cif
_cod_data_source_block           I
_cod_database_code               2019192
_shelx_estimated_absorpt_t_min   0.674
_shelx_estimated_absorpt_t_max   0.832
_shelx_hkl_checksum              42306
_shelx_res_checksum              25308
_shelxl_version_number           .2013