Lithium tris(oxalato-<i>O</i>,<i>O</i>')chromate(III) hexahydrate
Sekine, Akiko; Otsuka, Takuhiro; Ohashi, Yuji; Kaizu, Yokou; Acta Crystallographica Section C 50 (1994) 1399–1401; doi:10.1107/S0108270194004282

data_2010014
_publ_section_title
;
 Lithium tris(oxalato-<i>O</i>,<i>O</i>')chromate(III) hexahydrate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1399
_journal_page_last               1401
_journal_paper_doi               10.1107/S0108270194004282
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C6 H12 Cr Li3 O18 '
_chemical_formula_sum            'C6 H12 Cr Li3 O18'
_chemical_formula_weight         444.969
_chemical_name_common            '3Li + , [Cr (C2 O4)3] -3 , 6H2 O1'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.860(10)
_cell_angle_beta                 109.440(10)
_cell_angle_gamma                91.790(10)
_cell_formula_units_Z            2
_cell_length_a                   9.321(2)
_cell_length_b                   11.947(2)
_cell_length_c                   8.066(2)
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_cell_measurement_temperature    296.15
_cell_measurement_theta_max      15.04
_cell_measurement_theta_min      14.87
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_computing_data_collection
; MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1989a)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989b)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  TEXSAN
_computing_structure_solution    TEXSAN
_diffrn_ambient_temperature      296.15
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3969
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0.8
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.776
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.82
_exptl_crystal_description       plate
_exptl_crystal_F_000             450
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.3
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3399
_refine_ls_R_factor_obs          0.032
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
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_reflns_number_observed          3399
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_cod_data_source_file            as1109.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w = 1/\s^2^' 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^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        811.9(3)
_cod_database_code               2010014