<i>catena</i>-Poly[[(18-crown-6)potassium(I)]-μ-chlorido-silver(I)-μ-chlorido]
Xing-Min Song; Xian-Qiang Huang; Jian-Min Dou; Da-Cheng Li; Acta Crystallographica Section E 63 (2007) m2219–m2219; doi:10.1107/S1600536807035726

data_2214516
_publ_section_title
<i>catena</i>-Poly[[(18-crown-6)potassium(I)]-\m-chlorido-silver(I)-\m-chlorido]
_journal_coeditor_code           BI2208
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2219
_journal_page_last               m2219
_journal_paper_doi               10.1107/S1600536807035726
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag K Cl2 (C12 H24 O6)]'
_chemical_formula_moiety         'C12 H24 Ag Cl2 K O6'
_chemical_formula_sum            'C12 H24 Ag Cl2 K O6'
_chemical_formula_weight         482.18
_chemical_name_systematic
;
catena-Poly[[(18-crown-6)potassium(I)]-\m-chlorido-silver(I)-\m-chlorido]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.764(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.691(4)
_cell_length_b                   8.244(4)
_cell_length_c                   13.833(6)
_cell_measurement_reflns_used    2464
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.121
_cell_measurement_theta_min      2.896
_cell_volume                     966.6(8)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4877
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.54
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.555
_exptl_absorpt_correction_T_max  0.627
_exptl_absorpt_correction_T_min  0.457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.200
_refine_diff_density_min         -0.371
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     103
_refine_ls_number_reflns         1699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0267
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0449P)^2^+0.1659P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                1308
_reflns_number_total             1699
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2208.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214516
_cod_database_fobs_code          2214516