P~2~Se~5~
Blachnik, R.; Lönnecke, P.; Acta Crystallographica Section C 50 (1994) 659–661; doi:10.1107/S0108270193010534

data_2009739
_publ_section_title
;
 P~2~Se~5~
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              659
_journal_page_last               661
_journal_paper_doi               10.1107/S0108270193010534
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'P2 Se5'
_chemical_formula_weight         456.75
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'IntTabIV Table 2.2B'
_cell_angle_alpha                90.
_cell_angle_beta                 114.150(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.9440(10)
_cell_length_b                   20.420(2)
_cell_length_c                   5.8360(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    295
_cell_measurement_theta_max      20
_cell_measurement_theta_min      15
_cell_volume                     755.10(19)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7093
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2385
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        -0.2
_diffrn_standards_interval_count '(I) 10000'
_diffrn_standards_interval_time  '(R) 200'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    24.33
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.325
_exptl_absorpt_correction_type
'empirical via \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.017
_exptl_crystal_description       plate-like
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.2(2)
_refine_diff_density_min         -1.0(2)
_refine_ls_extinction_coef       2.12E-7(8)
_refine_ls_extinction_method     'Zachariasen (1963)'
_refine_ls_goodness_of_fit_obs   2.42
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1506
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s~I~'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          1506
_reflns_number_total             2197
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            sh1075.cif
_cod_data_source_block           sh1075_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s~I~' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1/\s~I~'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        755.10(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009739