(18-Crown-6)potassium(I) diphenylstibate({-}1)
Kaas, Marina; Friedrich, Ute; Korber, Nikolaus; Acta Crystallographica Section E 70 (2014) m260–; doi:10.1107/S1600536814013282

data_2239700
_publ_section_title
;
 (18-Crown-6)potassium(I) diphenylstibate({-}1)
;
_journal_coeditor_code           FF2129
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m260
_journal_paper_doi               10.1107/S1600536814013282
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[K (C12 H24 O6)] [Sb (C6 H5)2]'
_chemical_formula_moiety         'C12 H24 K O6 +, C12 H10 Sb -'
_chemical_formula_sum            'C24 H34 K O6 Sb'
_chemical_formula_weight         579.36
_chemical_name_common
'(18-Crown-6)potassium(I) diphenylstibate(-1)'
_chemical_name_systematic
;
(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium diphenylstibide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_cell_angle_alpha                90
_cell_angle_beta                 112.654(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.6933(9)
_cell_length_b                   9.2655(3)
_cell_length_c                   19.1321(10)
_cell_measurement_reflns_used    1900
_cell_measurement_temperature    123
_cell_measurement_theta_max      28.0290
_cell_measurement_theta_min      3.3880
_cell_volume                     2567.3(2)
_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 & Putz, 2005)'
_computing_publication_material
'OLEX2 (Dolomanov <i>et al.</i>, 2009; Bourhis <i>et al.</i>, 2011)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
;
SUPERFLIP (Palatinus & Chapuis, 2007)
;
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
'Agilent SuperNova (Single source at offset, Eos)'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4194
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.366
_diffrn_reflns_theta_min         3.104
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.272
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
[CrysAlis PRO (Agilent, 2012), using a multi-faceted crystal
model based on expressions derived by Clark & Reid (1995)]
;
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.4728
_exptl_crystal_size_mid          0.2702
_exptl_crystal_size_min          0.1505
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.562
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         2592
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0232
_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^)+(0.0190P)^2^+0.7904P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0489
_refine_ls_wR_factor_ref         0.0534
_reflns_number_gt                2297
_reflns_number_total             2592
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ff2129sup1.cf
_cod_data_source_block           I
_cod_database_code               2239700
_cod_database_fobs_code          2239700
_shelx_hkl_checksum              73128
_shelx_res_checksum              30598