Poly[[μ-dioxane-κ^2^<i>O</i>:<i>O</i>'-dioxane-κ<i>O</i>-μ-diphenylamido-κ^2^<i>N</i>:<i>N</i>-potassium] dioxane solvate]
Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias; Acta Crystallographica Section E 63 (2007) m2287–m2288; doi:10.1107/S1600536807037427

data_2214998
_publ_section_title
;Poly[[\m-dioxane-\k^2^<i>O</i>:<i>O</i>'-dioxane-\k<i>O</i>-\m-diphenylamido-\k^2^<i>N</i>:<i>N</i>-potassium]
 dioxane solvate]
;
_journal_coeditor_code           BT2446
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2287
_journal_page_last               m2288
_journal_paper_doi               10.1107/S1600536807037427
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[K (C12 H10 N) (C4 H8 O2)2], C4 H8 O2'
_chemical_formula_moiety         'C20 H26 K N O4, C4 H8 O2'
_chemical_formula_sum            'C24 H34 K N O6'
_chemical_formula_weight         471.62
_chemical_name_systematic
;
Poly[[\m-dioxane-\k^2^O:O'-dioxane-\k<i>O</i>-\m-diphenylamido-\k^2^N:N-\
potassium] dioxane solvate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                70.419(3)
_cell_angle_beta                 86.123(3)
_cell_angle_gamma                66.278(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5417(5)
_cell_length_b                   10.6758(6)
_cell_length_c                   12.7711(5)
_cell_measurement_reflns_used    8425
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.12
_cell_volume                     1235.97(11)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0614
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8425
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    0.253
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.249
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5472
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0439
_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^)+(0.0488P)^2^+0.0755P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                3974
_reflns_number_total             5472
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2446.cif
_cod_data_source_block           I
_cod_original_cell_volume        1235.97(10)
_cod_database_code               2214998
_cod_database_fobs_code          2214998