Metal‒Hydroxy Ribbons in Pb(OH)(NCS)
Adovasio, V.; Nardelli, M.; Acta Crystallographica Section C 51 (1995) 380–382; doi:10.1107/S0108270194009145

data_2003258
_publ_section_title
;
 Metal--Hydroxy Ribbons in Pb(OH)(NCS)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              380
_journal_page_last               382
_journal_paper_doi               10.1107/S0108270194009145
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source
;
By crystallisation from an aqueous solution containing Pb(NCS)~2~ and
sodium acetate
;
_chemical_formula_analytical     'C H N O Pb S'
_chemical_formula_moiety         'Pb (O H) (N C S)'
_chemical_formula_sum            'C H N O Pb S'
_chemical_formula_weight         282.29
_chemical_name_systematic
;
Lead hydroxy thiocyanate
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.250(7)
_cell_length_b                   8.564(5)
_cell_length_c                   4.157(2)
_cell_measurement_radiation      'Mo K\a~1~'
_cell_measurement_reflns_used    29
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.76
_cell_measurement_theta_min      12.07
_cell_measurement_wavelength     0.7093
_cell_volume                     400.5(4)
_computing_cell_refinement       'LQPARM (Nardelli & Mangia, 1984)'
_computing_data_collection       'local programs'
_computing_data_reduction        'local programs'
_computing_molecular_graphics
;
 ORTEP (Johnson, 1965); PLUTO (Motherwell & Clegg, 1976)
;
_computing_publication_material
;
 PARST (Nardelli, 1983); PARSTCIF (Nardelli, 1991)
;
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens-AED single crystal diffractometer'
_diffrn_measurement_method       '\q-2\q scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1636
_diffrn_reflns_reduction_process
;
Standard Lorentz and polarization correction.
;
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         3.62
_diffrn_standards_decay_%        'within statitistical fluctuation'
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    42.44
_exptl_absorpt_correction_T_max  0.354
_exptl_absorpt_correction_T_min  0.341
_exptl_absorpt_correction_type   cylinder
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.682
_exptl_crystal_description       'slender needles'
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.637
_refine_diff_density_min         -2.660
_refine_ls_extinction_coef       0.005(1)
_refine_ls_extinction_method
'F~c~^*^ = kF~c~[1+0.001\cF~c~^2^\l^3^/sin(2\q)'
_refine_ls_goodness_of_fit_obs   1.171
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     35
_refine_ls_number_reflns         496
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0264
_refine_ls_shift/esd_max         <0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^)+(0.0324P)^2^]
where P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_obs         0.0579
_reflns_number_observed          383
_reflns_number_total             497
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ha1124.cif
_cod_data_source_block           a
_cod_database_code               2003258