Poly[μ-(1,3-dihydroxypropan-2-olato)-potassium]
Schatte, Gabriele; Shen, Jianheng; Reaney, Martin; Sammynaiken, Ramaswami; Acta Crystallographica Section E 67 (2011) m141–m142; doi:10.1107/S160053681005316X

data_2229172
_publ_section_title
;
 Poly[\m-(1,3-dihydroxypropan-2-olato)-potassium]
;
_journal_coeditor_code           OM2384
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m141
_journal_page_last               m142
_journal_paper_doi               10.1107/S160053681005316X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[K (C3 H7 O3)]'
_chemical_formula_moiety         'C3 H7 K O3'
_chemical_formula_sum            'C3 H7 K O3'
_chemical_formula_weight         130.19
_chemical_name_systematic
;
Poly[\m-(1,3-dihydroxypropan-2-olato)-potassium]
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 93.422(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5514(4)
_cell_length_b                   7.2632(4)
_cell_length_c                   9.0675(5)
_cell_measurement_reflns_used    1381
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      64.25
_cell_measurement_theta_min      4.89
_cell_volume                     496.44(5)
_computing_cell_refinement
;
<i>SAINT</i> (Bruker, 2008)
;
_computing_data_collection
;
<i>APEX2</i> (Bruker, 2009)
;
_computing_data_reduction
;
<i>SAINT</i> (Bruker, 2008)
;
_computing_molecular_graphics
;
<i>CAMERON</i> (Watkin <i>et al.</i>, 1993) and
<i>XP</i> in SHELXTL-NT (Sheldrick, 2008)
;
_computing_publication_material  '<i>publCIF</i> (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
;
<i>SIR2002</i> (Burla <i>et al.</i>, 2003)
;
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device       '62mm 4K CCD camera on D85 goniostat'
_diffrn_measurement_device_type  'Bruker Proteum R SMART 6000 three-circle'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Montel200 multilayer graded optics'
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1526
_diffrn_reflns_theta_full        64.95
_diffrn_reflns_theta_max         64.95
_diffrn_reflns_theta_min         4.89
_exptl_absorpt_coefficient_mu    8.530
_exptl_absorpt_correction_T_max  0.5486
_exptl_absorpt_correction_T_min  0.4538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             272
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.606
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     41
_refine_ls_number_reflns         436
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0427
_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^)+(0.0682P)^2^+0.2643P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                433
_reflns_number_total             436
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om2384.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2229172
_cod_database_fobs_code          2229172