LMucko/crystallography-open-database huggingface dataset:
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Kubota, M.; Ohba, S.; Acta Crystallographica Section B 48 (1992) 627–632; doi:10.1107/S010876819200404X

data_2100829
_publ_section_title
;
 Nitro-nitrito linkage photoisomerization in crystals of
 pentaamminenitrocobalt(III) dichloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               632
_journal_paper_doi               10.1107/S010876819200404X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 Co H15 N6 O2'
_chemical_formula_weight         261
_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                 95.45(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.176(2)
_cell_length_b                   8.6920(10)
_cell_length_c                   10.746(2)
_cell_volume                     946.2(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.35
_exptl_crystal_density_diffrn    1.83
_exptl_crystal_F_000             536
_cod_data_source_file            as0597.cif
_cod_data_source_block           as0597a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H15 Cl2 Co1 N6 O2'
_cod_database_code               2100829
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Kubota, M.; Ohba, S.; Acta Crystallographica Section B 48 (1992) 627–632; doi:10.1107/S010876819200404X

data_2100830
_publ_section_title
;
 Nitro-nitrito linkage photoisomerization in crystals of
 pentaamminenitrocobalt(III) dichloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               632
_journal_paper_doi               10.1107/S010876819200404X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 Co H15 N6 O2'
_chemical_formula_weight         261
_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                 95.43(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.187(3)
_cell_length_b                   8.704(3)
_cell_length_c                   10.727(3)
_cell_volume                     946.9(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.35
_exptl_crystal_density_diffrn    1.83
_exptl_crystal_F_000             536
_cod_data_source_file            as0597.cif
_cod_data_source_block           as0597b
_cod_original_formula_sum        'H15 Cl2 Co1 N6 O2'
_cod_database_code               2100830
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Kubota, M.; Ohba, S.; Acta Crystallographica Section B 48 (1992) 627–632; doi:10.1107/S010876819200404X

data_2100831
_publ_section_title
;
 Nitro-nitrito linkage photoisomerization in crystals of
 pentaamminenitrocobalt(III) dichloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               632
_journal_paper_doi               10.1107/S010876819200404X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 Co H15 N6 O2'
_chemical_formula_weight         261
_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                 95.38(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.191(5)
_cell_length_b                   8.739(4)
_cell_length_c                   10.682(4)
_cell_volume                     947.1(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.35
_exptl_crystal_density_diffrn    1.83
_exptl_crystal_F_000             536
_cod_data_source_file            as0597.cif
_cod_data_source_block           as0597c
_cod_original_formula_sum        'H15 Cl2 Co1 N6 O2'
_cod_database_code               2100831
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Kubota, M.; Ohba, S.; Acta Crystallographica Section B 48 (1992) 627–632; doi:10.1107/S010876819200404X

data_2100832
_publ_section_title
;
 Nitro-nitrito linkage photoisomerization in crystals of
 pentaamminenitrocobalt(III) dichloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               632
_journal_paper_doi               10.1107/S010876819200404X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 Co H15 N6 O2'
_chemical_formula_weight         261.0
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.349(2)
_cell_length_b                   13.228(3)
_cell_length_c                   6.864(2)
_cell_volume                     939.7(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             536
_cod_data_source_file            as0597.cif
_cod_data_source_block           as0597d
_cod_original_cell_volume        939.7(6)
_cod_original_sg_symbol_H-M      'P 21nb'
_cod_original_formula_sum        'H15 Cl2 Co1 N6 O2'
_cod_database_code               2100832
Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride
Kubota, M.; Ohba, S.; Acta Crystallographica Section B 48 (1992) 627–632; doi:10.1107/S010876819200404X

data_2100833
_publ_section_title
;
 Nitro-nitrito linkage photoisomerization in crystals of
 pentaamminenitrocobalt(III) dichloride
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              627
_journal_page_last               632
_journal_paper_doi               10.1107/S010876819200404X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Cl2 Co H15 N6 O2'
_chemical_formula_weight         261
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3760(10)
_cell_length_b                   13.355(3)
_cell_length_c                   6.8307(7)
_cell_volume                     946.5(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_F_000             536
_cod_data_source_file            as0597.cif
_cod_data_source_block           as0597e
_cod_original_cell_volume        946.5(4)
_cod_original_sg_symbol_H-M      'P 21nb'
_cod_original_formula_sum        'H15 Cl2 Co1 N6 O2'
_cod_database_code               2100833
Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K
Morooka, M.; Ohba, S.; Miyamae, H.; Acta Crystallographica Section B 48 (1992) 667–672; doi:10.1107/S0108768192004257

data_2100834
_publ_section_title
;
 Electron-density distribution in crystals of
 <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh;
 chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              667
_journal_page_last               672
_journal_paper_doi               10.1107/S0108768192004257
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H42 Cr1 N9 O9,3(H2 O1)'
_chemical_formula_sum            'C18 H48 Cr N9 O12'
_chemical_formula_weight         634.6
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   13.029(2)
_cell_length_b                   13.029(2)
_cell_length_c                   10.040(2)
_cell_volume                     1476.0(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.444
_exptl_crystal_density_diffrn    1.43
_exptl_crystal_F_000             678
_cod_data_source_file            as0599.cif
_cod_data_source_block           as0599a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-18
;
_cod_original_cell_volume        1476.0(5)
_cod_original_formula_sum        'C18 H48 Cr1 N9 O12'
_cod_database_code               2100834
Electron-density distribution in crystals of <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh; chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K
Morooka, M.; Ohba, S.; Miyamae, H.; Acta Crystallographica Section B 48 (1992) 667–672; doi:10.1107/S0108768192004257

data_2100835
_publ_section_title
;
 Electron-density distribution in crystals of
 <i>lel</i>~3~-[<i>M</i>(chxn)~3~](NO~3~)~3~.3H~2~O (<i>M</i> = Cr, Rh;
 chxn = <i>trans</i>-1,2-diaminocyclohexane) at 120 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              667
_journal_page_last               672
_journal_paper_doi               10.1107/S0108768192004257
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C18 H42 N9 O9 Rh1,3(H2 O1)'
_chemical_formula_sum            'C18 H48 N9 O12 Rh'
_chemical_formula_weight         685.5
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            2
_cell_length_a                   13.101(2)
_cell_length_b                   13.101(2)
_cell_length_c                   9.984(2)
_cell_volume                     1484.0(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.632
_exptl_crystal_density_diffrn    1.53
_exptl_crystal_F_000             720
_cod_data_source_file            as0599.cif
_cod_data_source_block           as0599b
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-18
;
_cod_original_cell_volume        1484.0(5)
_cod_original_formula_sum        'C18 H48 N9 O12 Rh1'
_cod_database_code               2100835
Structures of 3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
Mizuguchi, J.; Grubenmann, A.; Wooden, G.; Rihs, G.; Acta Crystallographica Section B 48 (1992) 696–700; doi:10.1107/S0108768192003033

data_2100836
_publ_section_title
;
 Structures of 3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and
 2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              696
_journal_page_last               700
_journal_paper_doi               10.1107/S0108768192003033
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H12 N2 O2'
_chemical_formula_weight         288.310
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                93.110(10)
_cell_angle_beta                 86.970(10)
_cell_angle_gamma                95.020(10)
_cell_formula_units_Z            1
_cell_length_a                   3.8170(10)
_cell_length_b                   6.5160(10)
_cell_length_c                   13.531(2)
_cell_volume                     334.36(11)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.73
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_meas      1.410
_exptl_crystal_F_000             150
_cod_data_source_file            bx0577.cif
_cod_data_source_block           bx0577a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        334.3(2)
_cod_database_code               2100836
Structures of 3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and 2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
Mizuguchi, J.; Grubenmann, A.; Wooden, G.; Rihs, G.; Acta Crystallographica Section B 48 (1992) 696–700; doi:10.1107/S0108768192003033

data_2100837
_publ_section_title
;
 Structures of 3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione and
 2,5-dimethyl-3,6-diphenylpyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              696
_journal_page_last               700
_journal_paper_doi               10.1107/S0108768192003033
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H16 N2 O2'
_chemical_formula_weight         316.359
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6660(10)
_cell_length_b                   12.0030(10)
_cell_length_c                   10.7790(10)
_cell_volume                     1509.4(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.54
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_meas      1.388
_exptl_crystal_F_000             522
_cod_data_source_file            bx0577.cif
_cod_data_source_block           bx0577b
_cod_database_code               2100837
Two closely related structures: ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione and its racemic compound
Brock, C. P.; Kwiatkowski, S.; Watt, D. S.; Sayed, A.; Acta Crystallographica Section B 48 (1992) 719–725; doi:10.1107/S0108768192003574

data_2100838
_publ_section_title
;Two closely related structures:
 ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione
 and its racemic compound
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              719
_journal_page_last               725
_journal_paper_doi               10.1107/S0108768192003574
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H14 O2 S1'
_chemical_formula_sum            'C15 H14 O2 S'
_chemical_formula_weight         258.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3490(10)
_cell_length_b                   7.203(2)
_cell_length_c                   24.729(4)
_cell_volume                     1308.7(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    0.227
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_F_000             544
_cod_data_source_file            cr0384.cif
_cod_data_source_block           cr0384a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1308.7(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H14 O2 S1'
_cod_database_code               2100838
Two closely related structures: ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione and its racemic compound
Brock, C. P.; Kwiatkowski, S.; Watt, D. S.; Sayed, A.; Acta Crystallographica Section B 48 (1992) 719–725; doi:10.1107/S0108768192003574

data_2100839
_publ_section_title
;Two closely related structures:
 ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione
 and its racemic compound
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              719
_journal_page_last               725
_journal_paper_doi               10.1107/S0108768192003574
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C15 H14 O2 S1'
_chemical_formula_sum            'C15 H14 O2 S'
_chemical_formula_weight         258.34
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3342(8)
_cell_length_b                   7.3587(4)
_cell_length_c                   24.613(6)
_cell_volume                     1328.4(4)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    2.043
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_F_000             544
_cod_data_source_file            cr0384.cif
_cod_data_source_block           cr0384b
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-05-07
;
_cod_original_formula_sum        'C15 H14 O2 S1'
_cod_database_code               2100839
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
McMullan, R. K.; Kvick, Å.; Popelier, P.; Acta Crystallographica Section B 48 (1992) 726–731; doi:10.1107/S0108768192004774

data_2100840
_publ_section_title
;
 Structures of cubic and orthorhombic phases of acetylene by
 single-crystal neutron diffraction
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              726
_journal_page_last               731
_journal_paper_doi               10.1107/S0108768192004774
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 H2'
_chemical_formula_weight         26
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0940(8)
_cell_length_b                   6.0940(8)
_cell_length_c                   6.0940(8)
_cell_volume                     226.31(5)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0402
_exptl_absorpt_coefficient_mu    0.146
_exptl_crystal_density_diffrn    0.7643(3)
_exptl_crystal_F_000             23
_cod_data_source_file            cr0402.cif
_cod_data_source_block           cr0402a
_cod_original_cell_volume        226.31(9)
_cod_database_code               2100840
Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
McMullan, R. K.; Kvick, Å.; Popelier, P.; Acta Crystallographica Section B 48 (1992) 726–731; doi:10.1107/S0108768192004774

data_2100841
_publ_section_title
;
 Structures of cubic and orthorhombic phases of acetylene by
 single-crystal neutron diffraction
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              726
_journal_page_last               731
_journal_paper_doi               10.1107/S0108768192004774
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 H2'
_chemical_formula_weight         26
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1050(8)
_cell_length_b                   6.1050(8)
_cell_length_c                   6.1050(8)
_cell_volume                     227.54(5)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0402
_exptl_absorpt_coefficient_mu    0.146
_exptl_crystal_density_diffrn    .7602(3)
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_cod_data_source_file            cr0402.cif
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Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
McMullan, R. K.; Kvick, Å.; Popelier, P.; Acta Crystallographica Section B 48 (1992) 726–731; doi:10.1107/S0108768192004774

data_2100842
_publ_section_title
;
 Structures of cubic and orthorhombic phases of acetylene by
 single-crystal neutron diffraction
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              726
_journal_page_last               731
_journal_paper_doi               10.1107/S0108768192004774
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 D2'
_chemical_formula_weight         28
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1020(7)
_cell_length_b                   6.1020(7)
_cell_length_c                   6.1020(7)
_cell_volume                     227.20(5)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0402
_exptl_absorpt_coefficient_mu    .000012
_exptl_crystal_density_diffrn    0.8201(3)
_exptl_crystal_F_000             106
_cod_data_source_file            cr0402.cif
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_cod_database_code               2100842