1,6-Diselenacyclodecane-3,4,8,9-tetraone tetrakis(<i>O</i>-methyloxime)
Shatzmiller, S.; Goldberg, I.; Stein, Z.; Naddaka, V.I.; Acta Crystallographica Section C 50 (1994) 304–306; doi:10.1107/S0108270193006225

data_2009426
_publ_section_title
;
 1,6-Diselenacyclodecane-3,4,8,9-tetraone
 tetrakis(<i>O</i>-methyloxime)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              304
_journal_page_last               306
_journal_paper_doi               10.1107/S0108270193006225
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C12 H20 N4 O4 Se2'
_chemical_formula_weight         442.23
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 97.37(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.364(3)
_cell_length_b                   17.281(2)
_cell_length_c                   11.9400(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.2
_cell_measurement_theta_min      7.9
_cell_volume                     1711.5(7)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       '\w-2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3336
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.3
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            slightly_yellow
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.52
_refine_ls_goodness_of_fit_obs   1.24
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     223
_refine_ls_number_reflns         1971
_refine_ls_R_factor_obs          0.036
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.035
_reflns_number_observed          1971
_reflns_number_total             2744
_reflns_observed_criterion       F>=6\s(F~o~)
_cod_data_source_file            ab1071.cif
_cod_data_source_block           ab1071_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009426