3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)
Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan; Acta Crystallographica Section E 62 (2006) o739–o741; doi:10.1107/S1600536806002388

data_2208163
_publ_section_title
;
 3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)
;
_journal_coeditor_code           SG6056
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o739
_journal_page_last               o741
_journal_paper_doi               10.1107/S1600536806002388
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C6 H18 N2 O2 2+, 2C2 Cl3 O2 -'
_chemical_formula_moiety         'C6 H18 N2 O2 2+, 2C2 Cl3 O2 -'
_chemical_formula_sum            'C10 H18 Cl6 N2 O6'
_chemical_formula_weight         474.96
_chemical_name_systematic
;
3,6-Dioxaoctane-1,8-diammonium bis(trichloroacetate)
;
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.48
_cell_volume                     2002.3(4)
_computing_cell_refinement       X-AREA
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_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS-II'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9773
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.85
_diffrn_standards_decay_%        1.5
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_exptl_absorpt_correction_T_max  0.8977
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_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_number_reflns         1976
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_refine_ls_R_factor_all          0.0963
_refine_ls_R_factor_gt           0.0689
_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^)+(0.091P)^2^+4.5621P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg6056.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2208163
_cod_database_fobs_code          2208163