LMucko/crystallography-open-database huggingface dataset:
<i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV): change in space group
Marsh, R.E.; Acta Crystallographica Section C 50 (1994) 1713–1715; doi:10.1107/S0108270194005767

data_2010164
_publ_section_title
;
 <i>n</i>-Butyltris(2-pyrimidinethiolato-<i>N</i>,<i>S</i>)tin(IV):
 change in space group
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1713
_journal_page_last               1715
_journal_paper_doi               10.1107/S0108270194005767
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H18 N6 S3 Sn'
_chemical_formula_weight         509.23
_space_group_IT_number           14
_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           IntTabC
_cell_angle_alpha                90.
_cell_angle_beta                 92.67(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.523(2)
_cell_length_b                   12.849(3)
_cell_length_c                   17.079(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    291.0(10)
_cell_measurement_theta_max      15.1
_cell_measurement_theta_min      7.8
_cell_volume                     2087.5(8)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6035
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  150
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    1.528
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.925
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_description       block
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     259
_refine_ls_number_reflns         2664
_refine_ls_R_factor_obs          0.0311
_refine_ls_structure_factor_coef Fsqd
_reflns_number_observed          2664
_reflns_number_total             3889
_reflns_observed_criterion       F>1.5\s(F)
_cod_data_source_file            cr1153.cif
_cod_data_source_block           cr1153_structure_1_of_1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2010164
The Molecular Structure of Caroxazone, a Reversible Monoamine Oxidase Inhibitor
Wouters, Johan; Evrard, Guy; Durant, Francois; Acta Crystallographica Section C 50 (1994) 1774–1777; doi:

data_2010169
_publ_section_title
;
The Molecular Structure of Caroxazone, a Reversible Monoamine
Oxidase Inhibitor
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1774
_journal_page_last               1777
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C12 H14 Cl N O3'
_chemical_formula_sum            'C12 H14 Cl N O3'
_chemical_formula_weight         255.69
_chemical_name_common            'p-chlorophenylamidopentanoic acid'
_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                69.99(2)
_cell_angle_beta                 76.70(4)
_cell_angle_gamma                80.28(4)
_cell_formula_units_Z            2
_cell_length_a                   4.863(5)
_cell_length_b                   9.963(3)
_cell_length_c                   14.024(3)
_cell_measurement_temperature    293(2)
_cell_volume                     618.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.374
_refine_ls_R_factor_obs          0.0432
_refine_ls_wR_factor_obs         0.1360
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (17
times).

'_geom_bond_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (13 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010169
Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation
Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter; Acta Crystallographica Section C 50 (1994) 1651–1652; doi:

data_2010213
_publ_section_title
;
Structure of a
Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O
Microcrystal Studied Using Synchrotron Radiation
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1651
_journal_page_last               1652
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947'
_chemical_formula_weight         223.85
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.83(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5780(10)
_cell_length_b                   15.006(3)
_cell_length_c                   6.275(2)
_cell_measurement_temperature    293
_cell_volume                     464.5(2)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.20
_refine_ls_R_factor_obs          0.077
_refine_ls_wR_factor_obs         0.052
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               2010213
Trinitromethane
Schodel, H.; Dienelt, R.; Bock, H.; Acta Crystallographica Section C 50 (1994) 1790–1792; doi:10.1107/S0108270194002131

data_2010226
_publ_section_title
;
 Trinitromethane
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1790
_journal_page_last               1792
_journal_paper_doi               10.1107/S0108270194002131
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C H N3 O6'
_chemical_formula_weight         151.05
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.3580(10)
_cell_length_b                   10.3580(10)
_cell_length_c                   10.3580(10)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    200
_cell_measurement_theta_max      21
_cell_measurement_theta_min      17.5
_cell_volume                     1111.29(19)
_diffrn_measurement_device       'Siemens AED-2'
_diffrn_measurement_method       \w-\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1461
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  30
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.19
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_description       'Rectangular block'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.18
_refine_ls_extinction_coef       '\c = 0.078(6)'
_refine_ls_extinction_method
' F* = F~c~/[k(1.0+0.001\cF~c~^2^\l^3^/sin2\q)^1/4^]'
_refine_ls_goodness_of_fit_obs   1.067
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     34
_refine_ls_number_reflns         351
_refine_ls_R_factor_obs          0.0317
_refine_ls_shift/esd_max         <=0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F~o~^2^)+(0.0321P)^2^+0.27P]
 where P = [max(F~o~^2^,O)+2F~c~^2^]/3
;
_refine_ls_wR_factor_obs         0.0772
_reflns_number_observed          351
_reflns_number_total             431
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            se1040.cif
_cod_data_source_block           se1040a
_cod_original_cell_volume        1111.3
_cod_original_formula_sum        'C1 H1 N3 O6'
_cod_database_code               2010226
Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH
Wang, X.; Zhang, X.-M.; Liu, H.-X.; Acta Crystallographica Section C 50 (1994) 1878–1880; doi:10.1107/S0108270194003987

data_2010256
_publ_section_title
;
 Allomorphs of a complex of [Mo(O)~2~(dmso)] with a derivative of SADH
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1878
_journal_page_last               1880
_journal_paper_doi               10.1107/S0108270194003987
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C21 H24 Mo2 N4 O10 S2'
_chemical_formula_weight         748.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           'IntTabIV Table 2.2B'
_cell_angle_alpha                114.45(2)
_cell_angle_beta                 90.53(2)
_cell_angle_gamma                83.14(3)
_cell_formula_units_Z            2
_cell_length_a                   8.405(2)
_cell_length_b                   12.846(3)
_cell_length_c                   13.739(4)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    294.0(10)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      10
_cell_volume                     1339.4(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4171
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        0.041
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.80
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.856
_exptl_crystal_density_meas      1.853
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.16
_refine_ls_number_parameters     352
_refine_ls_number_reflns         3337
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.15
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.050
_reflns_number_observed          3337
_reflns_number_total             3783
_reflns_observed_criterion       F>3.0\s(F)
_cod_data_source_file            br1062.cif
_cod_data_source_block           br1062a
_cod_original_cell_volume        1339.4
_cod_database_code               2010256
3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone
Díaz, E.; Fuentes Benitez, A.F.; Villafranca, E.V.; Jankowski, C.K.; Acta Crystallographica Section C 50 (1994) 2030–2032; doi:10.1107/S0108270194003501

data_2010266
_publ_section_title
;
 3-Methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-2(5<i>H</i>)-furanone
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2030
_journal_page_last               2032
_journal_paper_doi               10.1107/S0108270194003501
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C14 H20 O2'
_chemical_formula_weight         220.3
_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
_cell_angle_alpha                90.
_cell_angle_beta                 118.3(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.828(2)
_cell_length_b                   10.284(2)
_cell_length_c                   11.790(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      12.05
_cell_measurement_theta_min      6.06
_cell_volume                     1263(4)
_diffrn_measurement_device       'Siemens P3/F'
_diffrn_measurement_method       2\q:\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1488
_diffrn_reflns_theta_max         50
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.60
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_description       prisms
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.14
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     145
_refine_ls_number_reflns         1233
_refine_ls_R_factor_obs          0.081
_refine_ls_shift/esd_max         0.006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.081
_reflns_number_observed          1233
_reflns_number_total             1302
_reflns_observed_criterion       F~o~>3\s(F~o~)
_cod_data_source_file            cr1103.cif
_cod_data_source_block           cr1103a
_cod_original_cell_volume        1262.72
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010266
An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~
Guesdon, A.; Leclaire, A.; Borel, M.M.; Grandin, A.; Raveau, B.; Acta Crystallographica Section C 50 (1994) 1852–1854; doi:

data_2010276
_publ_section_title
;
An Mo^V^ Monophosphate, Rb~2~Mo~2~P~2~O~11~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1852
_journal_page_last               1854
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Rb2 Mo2 P2 O11'
_chemical_formula_sum            'Mo2 O11 P2 Rb2'
_chemical_formula_weight         600.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.973(2)
_cell_length_b                   10.180(2)
_cell_length_c                   10.0120(10)
_cell_measurement_temperature    274
_cell_volume                     1007.2(5)
_exptl_crystal_density_diffrn    3.96
_refine_ls_R_factor_obs          0.041
_refine_ls_wR_factor_obs         0.046
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010276
_cod_duplicate_entry 1001613
Eupenifeldin
Gao, Q.; Mayerl, F.; Acta Crystallographica Section C 50 (1994) 2033–2036; doi:10.1107/S0108270194002817

data_2010294
_publ_section_title
;
 Eupenifeldin
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2033
_journal_page_last               2036
_journal_paper_doi               10.1107/S0108270194002817
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C33 H40 O7'
_chemical_formula_weight         548.676
_chemical_name_systematic
;10,13,19-trihdroxy-4,4,7,12a,16,21a-hexamethyl-1,4,5,5a,7a,12a,13,14,14a,15,18-
dodecahydrodicyclohepta[e:e']cycloundeca[1.2-b;5,6-b]dipyran-9,18-dione
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'MolEN (Fair, 1990)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   11.5190(10)
_cell_length_b                   15.6000(10)
_cell_length_c                   32.258(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    290
_cell_measurement_theta_max      34.18
_cell_measurement_theta_min      20.49
_cell_volume                     5796.6(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            6326
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        '-0.0011% h^-1^'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.67
_exptl_absorpt_correction_T_max  0.9993
_exptl_absorpt_correction_T_min  0.9725
_exptl_absorpt_correction_type   'empirical, \f scans'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.15
_refine_ls_goodness_of_fit_obs   1.852
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     721
_refine_ls_number_reflns         3811
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          3811
_reflns_number_total             4840
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            hh1073.cif
_cod_data_source_block           hh1073a
_cod_original_cell_volume        5796.8(8)
_cod_database_code               2010294
A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~
N. Mercier; Marc Leblanc; Acta Crystallographica Section C 50 (1994) 1862–1864; doi:

data_2010335
_publ_section_title
;
A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1862
_journal_page_last               1864
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Ba3 Sc (C O3) F7'
_chemical_formula_sum            'C Ba3 F7 O3 Sc'
_chemical_formula_weight         649.91
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.519(3)
_cell_length_b                   13.456(3)
_cell_length_c                   5.9740(10)
_cell_measurement_temperature    293(2)
_cell_volume                     926.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.662
_refine_ls_R_factor_obs          0.0248
_refine_ls_wR_factor_obs         0.0659
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C1 Ba3 F7 O3 Sc1'
_cod_database_code               2010335
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
Mercier, Nicolas; Leblanc, Marc; Acta Crystallographica, Section C: Crystal Structure Communications 50 (1994) 1864–1865; doi:10.1107/s010827019400733x

data_2010336
_publ_section_title
;
 A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
;
_journal_coden_ASTM              CSCEE
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1864
_journal_page_last               1865
_journal_paper_doi               10.1107/s010827019400733x
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Na2 Eu (C O3) F3'
_chemical_formula_sum            'C Eu F3 Na2 O3'
_chemical_formula_weight         314.94
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   6.596(4)
_cell_length_b                   10.774(4)
_cell_length_c                   14.090(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1001.3(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.178
_refine_ls_R_factor_obs          0.0177
_refine_ls_wR_factor_obs         0.0451
_cod_depositor_comments
;
 Updated bibliographic information.

 Antanas Vaitkus,
 2020-03-18

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010336