LMucko/crystallography-open-database huggingface dataset:
Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives
Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.; Acta Crystallographica Section B 50 (1994) 617–625; doi:10.1107/S0108768194003034

data_2101201
_publ_section_title
;
 Intramolecular N--H^{&#x00B7;&#x00B7;&#x00B7;^}O hydrogen bonding
 assisted by resonance. III. Structural studies of
 1-ketone-2-arylhydrazone derivatives
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              617
_journal_page_last               625
_journal_paper_doi               10.1107/S0108768194003034
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H9 N3 O2'
_chemical_formula_weight         203.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.82(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.100(3)
_cell_length_b                   7.960(2)
_cell_length_c                   21.744(4)
_cell_volume                     1911.3(8)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.096
_exptl_crystal_density_diffrn    1.41
_exptl_crystal_F_000             848
_cod_data_source_file            na0053.cif
_cod_data_source_block           na0053a
_cod_database_code               2101201
Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives
Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.; Acta Crystallographica Section B 50 (1994) 617–625; doi:10.1107/S0108768194003034

data_2101202
_publ_section_title
;
 Intramolecular N--H^{&#x00B7;&#x00B7;&#x00B7;^}O hydrogen bonding
 assisted by resonance. III. Structural studies of
 1-ketone-2-arylhydrazone derivatives
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              617
_journal_page_last               625
_journal_paper_doi               10.1107/S0108768194003034
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H8 N4 O4'
_chemical_formula_weight         248.2
_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                 98.09(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.046(2)
_cell_length_b                   7.7740(10)
_cell_length_c                   20.917(4)
_cell_volume                     1134.3(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.108
_exptl_crystal_density_diffrn    1.45
_exptl_crystal_F_000             512
_cod_data_source_file            na0053.cif
_cod_data_source_block           na0053b
_cod_database_code               2101202
Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives
Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.; Acta Crystallographica Section B 50 (1994) 617–625; doi:10.1107/S0108768194003034

data_2101203
_publ_section_title
;
 Intramolecular N--H^{&#x00B7;&#x00B7;&#x00B7;^}O hydrogen bonding
 assisted by resonance. III. Structural studies of
 1-ketone-2-arylhydrazone derivatives
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              617
_journal_page_last               625
_journal_paper_doi               10.1107/S0108768194003034
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H8 Cl N3 O2'
_chemical_formula_weight         237.6
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.324(2)
_cell_length_b                   5.7710(10)
_cell_length_c                   20.016(2)
_cell_volume                     2116.6(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.345
_exptl_crystal_density_diffrn    1.49
_exptl_crystal_F_000             976
_cod_data_source_file            na0053.cif
_cod_data_source_block           na0053c
_cod_original_cell_volume        2116.6(6)
_cod_database_code               2101203
Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives
Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.; Acta Crystallographica Section B 50 (1994) 617–625; doi:10.1107/S0108768194003034

data_2101204
_publ_section_title
;
 Intramolecular N--H^{&#x00B7;&#x00B7;&#x00B7;^}O hydrogen bonding
 assisted by resonance. III. Structural studies of
 1-ketone-2-arylhydrazone derivatives
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              617
_journal_page_last               625
_journal_paper_doi               10.1107/S0108768194003034
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H13 N5 O3'
_chemical_formula_weight         323.3
_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'
_cell_angle_alpha                90
_cell_angle_beta                 95.740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8170(10)
_cell_length_b                   7.595(5)
_cell_length_c                   15.652(3)
_cell_volume                     1516.0(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.096
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_F_000             672
_cod_data_source_file            na0053.cif
_cod_data_source_block           na0053d
_cod_database_code               2101204
<i>Ab initio</i> structure determination from powder data using direct methods
Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H.; Acta Crystallographica Section B 50 (1994) 578–582; doi:10.1107/S010876819400306X

data_2101205
_publ_section_title
;
 <i>Ab initio</i> structure determination from powder data using direct
 methods
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              578
_journal_page_last               582
_journal_paper_doi               10.1107/S010876819400306X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C6 H12 Cl2 Na2 O12 U'
_chemical_formula_weight         838.04
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I -2y'
_symmetry_space_group_name_H-M   'I 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.570(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.217(2)
_cell_length_b                   16.543(3)
_cell_length_c                   5.92060(10)
_cell_volume                     1167.9(3)
_cod_data_source_file            se0140.cif
_cod_data_source_block           se0140a
_cod_original_sg_symbol_H-M      'I m'
_cod_database_code               2101205
The superstructure of domain-twinned η'-Cu~6~Sn~5~
Larsson, A.-K.; Stenberg, L.; Lidin, S.; Acta Crystallographica Section B 50 (1994) 636–643; doi:10.1107/S0108768194004052

data_2101211
_publ_section_title
;
 The superstructure of domain-twinned \h'-Cu~6~Sn~5~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              636
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768194004052
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Cu6 Sn5'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.81(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.036(10)
_cell_length_b                   7.288(8)
_cell_length_c                   9.841(9)
_cod_data_source_file            ab0319.cif
_cod_database_code               2101211
The superstructure of domain-twinned η'-Cu~6~Sn~5~
Larsson, A.-K.; Stenberg, L.; Lidin, S.; Acta Crystallographica Section B 50 (1994) 636–643; doi:10.1107/S0108768194004052

data_2101212
_publ_section_title
;
 The superstructure of domain-twinned \h'-Cu~6~Sn~5~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              636
_journal_page_last               643
_journal_paper_doi               10.1107/S0108768194004052
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Cu6 Sn5'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.81(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.036(10)
_cell_length_b                   7.288(8)
_cell_length_c                   9.841(9)
_cod_data_source_file            ab0319.cif
_cod_database_code               2101212
Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds
Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.; Acta Crystallographica Section B 50 (1994) 762–771; doi:10.1107/S0108768194004647

data_2101213
_publ_section_title
;
 Structures with identical packing; racemic and partially optically
 pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium
 <i>p</i>-toluenesulfonate and a comparison of the packing in
 corresponding racemic and optically active compounds
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              762
_journal_page_last               771
_journal_paper_doi               10.1107/S0108768194004647
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H14 Cl1 N2 S1,C7 H7 O3 S1'
_chemical_formula_sum            'C18 H21 Cl N2 O3 S2'
_chemical_formula_weight         412.94
_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'
_cell_angle_alpha                90
_cell_angle_beta                 96.478(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5016(10)
_cell_length_b                   8.2803(11)
_cell_length_c                   27.447(3)
_cell_volume                     1919.8(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.973
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_F_000             864
_cod_data_source_file            ab0324.cif
_cod_data_source_block           RAC
_cod_original_formula_sum        'C18 H21 Cl1 N2 O3 S2'
_cod_database_code               2101213
Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds
Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.; Acta Crystallographica Section B 50 (1994) 762–771; doi:10.1107/S0108768194004647

data_2101214
_publ_section_title
;
 Structures with identical packing; racemic and partially optically
 pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium
 <i>p</i>-toluenesulfonate and a comparison of the packing in
 corresponding racemic and optically active compounds
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              762
_journal_page_last               771
_journal_paper_doi               10.1107/S0108768194004647
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H14 Cl1 N2 S1,C7 H7 O3 S1'
_chemical_formula_sum            'C18 H21 Cl N2 O3 S2'
_chemical_formula_weight         412.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.13(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.533(3)
_cell_length_b                   8.2238(9)
_cell_length_c                   27.477(12)
_cell_volume                     1917.1(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.979
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_F_000             864
_cod_data_source_file            ab0324.cif
_cod_data_source_block           OA72
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C18 H21 Cl1 N2 O3 S2'
_cod_database_code               2101214
Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds
Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E.; Acta Crystallographica Section B 50 (1994) 762–771; doi:10.1107/S0108768194004647

data_2101215
_publ_section_title
;
 Structures with identical packing; racemic and partially optically
 pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium
 <i>p</i>-toluenesulfonate and a comparison of the packing in
 corresponding racemic and optically active compounds
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              762
_journal_page_last               771
_journal_paper_doi               10.1107/S0108768194004647
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H14 Cl1 N2 S1,C7 H7 O3 S1'
_chemical_formula_sum            'C18 H21 Cl N2 O3 S2'
_chemical_formula_weight         412.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.70(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.583(3)
_cell_length_b                   8.190(3)
_cell_length_c                   27.479(6)
_cell_volume                     1922.1(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.969
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_F_000             864
_cod_data_source_file            ab0324.cif
_cod_data_source_block           OA89
_cod_original_formula_sum        'C18 H21 Cl1 N2 O3 S2'
_cod_database_code               2101215
On the structure and properties of the layered lanthanide (Ln) barium copper oxyborates, LnBaCuO~2~BO~3~
Norrestam, R.; Kritikos, M.; Sjödin, A.; Acta Crystallographica Section B 50 (1994) 631–636; doi:10.1107/S0108768194003873

data_2101216
_publ_section_title
;
 On the structure and properties of the layered lanthanide (Ln) barium
 copper oxyborates, LnBaCuO~2~BO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              631
_journal_page_last               636
_journal_paper_doi               10.1107/S0108768194003873
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'B Ba Cu La O5'
_chemical_formula_weight         430.55
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.5743(4)
_cell_length_b                   5.5743(4)
_cell_length_c                   7.5053(6)
_cell_volume                     233.21(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_cod_data_source_file            ab0325.cif
_cod_data_source_block           ab0325a
_cod_original_cell_volume        233.21
_cod_original_formula_sum        'B1 Ba1 Cu1 La1 O5'
_cod_database_code               2101216
X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group
Chertanova, L.; Pascard, C.; Sheremetev, A.; Acta Crystallographica Section B 50 (1994) 708–716; doi:10.1107/S0108768194004179

data_2101217
_publ_section_title
;
 X-ray investigation of glyoxime derivatives. V. Two isomers of
 2-(thienyl)glyoxime. A database study of the geometry and hydrogen
 bonding of the oxime group
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              708
_journal_page_last               716
_journal_paper_doi               10.1107/S0108768194004179
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C6 H6 N2 O2 S1'
_chemical_formula_sum            'C6 H6 N2 O2 S'
_chemical_formula_weight         170.19
_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.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   11.074(5)
_cell_length_b                   9.152(3)
_cell_length_c                   14.660(4)
_cell_volume                     1485.8(9)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.650
_exptl_crystal_density_diffrn    1.522
_cod_data_source_file            an0501.cif
_cod_data_source_block           an0501a
_cod_original_cell_volume        1485.84
_cod_original_formula_sum        'C6 H6 N2 O2 S1'
_cod_database_code               2101217
X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group
Chertanova, L.; Pascard, C.; Sheremetev, A.; Acta Crystallographica Section B 50 (1994) 708–716; doi:10.1107/S0108768194004179

data_2101218
_publ_section_title
;
 X-ray investigation of glyoxime derivatives. V. Two isomers of
 2-(thienyl)glyoxime. A database study of the geometry and hydrogen
 bonding of the oxime group
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              708
_journal_page_last               716
_journal_paper_doi               10.1107/S0108768194004179
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C6 H6 N2 O2 S1'
_chemical_formula_sum            'C6 H6 N2 O2 S'
_chemical_formula_weight         170.19
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.79(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.189(3)
_cell_length_b                   3.865(3)
_cell_length_c                   16.022(5)
_cell_volume                     754.7(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    3.65
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_F_000             352
_cod_data_source_file            an0501.cif
_cod_data_source_block           an0501b
_cod_original_cell_volume        754.8
_cod_original_formula_sum        'C6 H6 N2 O2 S1'
_cod_database_code               2101218
Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data
Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.; Acta Crystallographica Section B 50 (1994) 695–703; doi:10.1107/S0108768194003599

data_2101219
_publ_section_title
;
 Structure of suberic acid at 18.4, 75 and 123 K from neutron
 diffraction data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              695
_journal_page_last               703
_journal_paper_doi               10.1107/S0108768194003599
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C8 H14 O4'
_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                 95.070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.7100(10)
_cell_length_b                   5.0885(7)
_cell_length_c                   9.8150(10)
_cell_volume                     433.31(9)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0499
_cod_data_source_file            bk0004.cif
_cod_data_source_block           bk0004a
_cod_original_cell_volume        433.30(10)
_cod_database_code               2101219
Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data
Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K.; Acta Crystallographica Section B 50 (1994) 695–703; doi:10.1107/S0108768194003599

data_2101220
_publ_section_title
;
 Structure of suberic acid at 18.4, 75 and 123 K from neutron
 diffraction data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              695
_journal_page_last               703
_journal_paper_doi               10.1107/S0108768194003599
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C8 H14 O4'
_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                 95.43(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.742(2)
_cell_length_b                   5.0841(9)
_cell_length_c                   9.850(2)
_cell_volume                     435.82(15)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0499
_cod_data_source_file            bk0004.cif
_cod_data_source_block           bk0004b
_cod_original_cell_volume        435.8(2)
_cod_database_code               2101220