LMucko/crystallography-open-database huggingface dataset:
Structures of three tetrahydrofurofurane-type lignanes
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.; Acta Crystallographica Section C 48 (1992) 2240–2244; doi:10.1107/S0108270192003901

data_2000397
_publ_section_title
;
 Structures of three tetrahydrofurofurane-type lignanes
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2240
_journal_page_last               2244
_journal_paper_doi               10.1107/S0108270192003901
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C24 H30 O8'
_chemical_formula_weight         446.5
_chemical_name_systematic
;
 tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
;
_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                   5.5333(5)
_cell_length_b                   12.5520(7)
_cell_length_c                   31.723(2)
_cell_volume                     2203.3(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.80
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_F_000             952
_cod_data_source_file            hh0597.cif
_cod_data_source_block           hh0597b
_cod_depositor_comments
;
 Adding the atomic displacement parameter values after consulting the original
 publication.

 Antanas Vaitkus,
 2018-02-08

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-02-08
;
_cod_original_cell_volume        2203.2(2)
_cod_database_code               2000397
Structures of three tetrahydrofurofurane-type lignanes
Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.; Acta Crystallographica Section C 48 (1992) 2240–2244; doi:10.1107/S0108270192003901

data_2000398
_publ_section_title
;
 Structures of three tetrahydrofurofurane-type lignanes
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2240
_journal_page_last               2244
_journal_paper_doi               10.1107/S0108270192003901
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C20 H18 O6'
_chemical_formula_weight         354.4
_chemical_name_systematic
;
 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(1,3-benzodioxole)
;
_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                 103.687(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6127(10)
_cell_length_b                   5.6194(4)
_cell_length_c                   15.660(2)
_cell_volume                     821.89(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    0.84
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_F_000             372
_cod_data_source_file            hh0597.cif
_cod_data_source_block           hh0597c
_cod_original_cell_volume        821.9(3)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2000398
[4-(1-Hydroxyethyl)-5-phenanthryl]methyl acetate
Jones, P. G.; Acta Crystallographica Section C 48 (1992) 2244–2245; doi:10.1107/S0108270192003615

data_2000399
_publ_section_title
;
 [4-(1-Hydroxyethyl)-5-phenanthryl]methyl acetate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2244
_journal_page_last               2245
_journal_paper_doi               10.1107/S0108270192003615
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C19 H18 O3'
_chemical_formula_weight         294.33
_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                 107.473(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7157(10)
_cell_length_b                   27.019(3)
_cell_length_c                   7.6219(10)
_cell_volume                     1515.6(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.09
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_F_000             624
_cod_data_source_file            ha0105.cif
_cod_data_source_block           ha0105a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        1515.6(7)
_cod_original_sg_symbol_H-M      'P 2 1/c'
_cod_database_code               2000399
9,10-Dihydrophenanthrene-4,5-dimethanol
Jones, P. G.; Acta Crystallographica Section C 48 (1992) 2245–2247; doi:10.1107/S0108270192003962

data_2000400
_publ_section_title
;
 9,10-Dihydrophenanthrene-4,5-dimethanol
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2245
_journal_page_last               2247
_journal_paper_doi               10.1107/S0108270192003962
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H16 O2'
_chemical_formula_weight         238.27
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.6464(12)
_cell_length_b                   23.027(3)
_cell_length_c                   6.9320(8)
_cell_volume                     2497.5(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.08
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_F_000             1008
_cod_data_source_file            ha0104.cif
_cod_data_source_block           ha0104a
_cod_original_cell_volume        2497.5(7)
_cod_database_code               2000400
Structure of 5β-pregnane-3α,6α,17α-triol triacetate
Grochulski, P.; Wawrzak, Z.; Gałdecki, Z.; Duax, W. L.; Strong, P. D.; Acta Crystallographica Section C 48 (1992) 2247–2249; doi:10.1107/S0108270192003494

data_2000401
_publ_section_title
;
 Structure of 5\b-pregnane-3\a,6\a,17\a-triol triacetate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2247
_journal_page_last               2249
_journal_paper_doi               10.1107/S0108270192003494
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C27 H40 O7'
_chemical_formula_sum            'C27 H40 O7'
_chemical_formula_weight         476.61
_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                 110.49(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.440(5)
_cell_length_b                   13.2670(10)
_cell_length_c                   12.168(2)
_cell_volume                     2637.3(16)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.704
_exptl_crystal_density_diffrn    1.20
_exptl_crystal_F_000             1032
_cod_data_source_file            cr0399.cif
_cod_data_source_block           cr0399a
_cod_original_cell_volume        2637.3(9)
_cod_database_code               2000401
(<i>Z</i>)-α,β-Dimethoxystilbene
Tinant, B.; Declercq, J.-P.; Weiler, J.; Soumillon, J. P.; Motte, F.; Vanhulle, S.; Acta Crystallographica Section C 48 (1992) 2250–2251; doi:10.1107/S0108270192003950

data_2000402
_publ_section_title
;
 (<i>Z</i>)-\a,\b-Dimethoxystilbene
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2250
_journal_page_last               2251
_journal_paper_doi               10.1107/S0108270192003950
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C16 H16 O2'
_chemical_formula_weight         240.30
_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                   7.5690(10)
_cell_length_b                   9.3080(10)
_cell_length_c                   18.502(2)
_cell_volume                     1303.5(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.639
_exptl_crystal_density_diffrn    1.22
_exptl_crystal_F_000             512
_cod_data_source_file            ha0102.cif
_cod_data_source_block           ha0102a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_sg_symbol_H-M      'P 2 1 2 1 2 1'
_cod_database_code               2000402
Structure of dimethyl ceanothate
Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.; Acta Crystallographica Section C 48 (1992) 2251–2253; doi:10.1107/S0108270192004189

data_2000403
_publ_section_title
;
 Structure of dimethyl ceanothate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2251
_journal_page_last               2253
_journal_paper_doi               10.1107/S0108270192004189
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C32 H50 O5'
_chemical_formula_sum            'C32 H50 O5'
_chemical_formula_weight         514.7
_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                   9.795(2)
_cell_length_b                   16.452(2)
_cell_length_c                   18.835(2)
_cell_volume                     3035.2(8)
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    0.552
_exptl_crystal_density_diffrn    1.13
_exptl_crystal_F_000             1128
_cod_data_source_file            ab1003.cif
_cod_data_source_block           ab1003a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_original_cell_volume        3035.2(2)
_cod_database_code               2000403
Structure of PbV~2~P~2~O~10~
Grandin, A.; Chardon, J.; Borel, M. M.; Leclaire, A.; Raveau, B.; Acta Crystallographica Section C 48 (1992) 1913–1915; doi:10.1107/S0108270192002300

data_2000419
_publ_section_title
;
 Structure of PbV~2~P~2~O~10~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1913
_journal_page_last               1915
_journal_paper_doi               10.1107/S0108270192002300
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'O10 P2 Pb V2'
_chemical_formula_weight         531.01
_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                 91.010(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2306(4)
_cell_length_b                   8.5805(9)
_cell_length_c                   16.7900(10)
_cell_volume                     753.40(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    25.3
_exptl_crystal_density_diffrn    4.68
_exptl_crystal_F_000             952
_cod_data_source_file            du0336.cif
_cod_data_source_block           du0336a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'O10 P2 Pb1 V2'
_cod_database_code               2000419
_cod_duplicate_entry 1001534
Structure of La~4~Mo~2~O~11~ containing isolated Mo~2~O~10~ cluster units
Gall, P.; Gougeon, P.; Acta Crystallographica Section C 48 (1992) 1915–1917; doi:10.1107/S0108270192003214

data_2000420
_publ_section_title
;
 Structure of La~4~Mo~2~O~11~ containing isolated Mo~2~O~10~ cluster
 units
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1915
_journal_page_last               1917
_journal_paper_doi               10.1107/S0108270192003214
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'La4 Mo2 O11'
_chemical_formula_weight         923.51
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0150(10)
_cell_length_b                   13.0150(10)
_cell_length_c                   5.6637(7)
_cell_volume                     959.38(16)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.03
_exptl_crystal_density_diffrn    6.394
_exptl_crystal_F_000             1600
_cod_data_source_file            du0314.cif
_cod_data_source_block           du0314a
_cod_depositor_comments
;

Had to add explicit symmetry operators into this entry, to indicate
unambiguously the choice of origin.

Saulius Gra\<zulis

;
_cod_original_cell_volume        959.30(10)
_cod_original_sg_symbol_H-M      'P 42/n {origin @ -4}'
_cod_database_code               2000420
Structure of potassium hexarhenium nonabromide pentasulfide: KRe~6~S~5~Br~9~
Slougui, A.; Perrin, A.; Sergent, M.; Acta Crystallographica Section C 48 (1992) 1917–1920; doi:10.1107/S0108270192002919

data_2000421
_publ_section_title
;
 Structure of potassium hexarhenium nonabromide pentasulfide:
 KRe~6~S~5~Br~9~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1917
_journal_page_last               1920
_journal_paper_doi               10.1107/S0108270192002919
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'Br9 Re6 S5,K1'
_chemical_formula_sum            'Br9 K Re6 S5'
_chemical_formula_weight         2035.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 127.41(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.914(11)
_cell_length_b                   9.526(4)
_cell_length_c                   17.671(11)
_cell_volume                     2262(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    39.423
_exptl_crystal_density_diffrn    5.979
_exptl_crystal_F_000             3456
_cod_data_source_file            du0337.cif
_cod_data_source_block           du0337a
_cod_original_cell_volume        2261.5
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Br9 K1 Re6 S5'
_cod_database_code               2000421
Structures of some quasi-two-dimensional molecular conductors. I. Structure of κ-tetrakis(3,4-methylenedithio-2,2',5,5'-tetrathiafulvalen)ium tetracyanoplatinate dihydrate: κ-(MDTTTF)~4~Pt(CN)~4~(H~2~O)~2~
Fettouhi, M.; Ouahab, L.; Grandjean, D.; Mousdis, G.; Delhaes, P.; Acta Crystallographica Section C 48 (1992) 1920–1923; doi:10.1107/S0108270192002750

data_2000422
_publ_section_title
;
 Structures of some quasi-two-dimensional molecular conductors. I.
 Structure of
 \k-tetrakis(3,4-methylenedithio-2,2',5,5'-tetrathiafulvalen)ium
 tetracyanoplatinate dihydrate: \k-(MDTTTF)~4~Pt(CN)~4~(H~2~O)~2~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1920
_journal_page_last               1923
_journal_paper_doi               10.1107/S0108270192002750
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C28 H16 S24,C4 N4 Pt1,2(H2 O1)'
_chemical_formula_sum            'C32 H20 N4 O2 Pt S24'
_chemical_formula_weight         1457.2
_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                108.84(3)
_cell_angle_beta                 95.10(4)
_cell_angle_gamma                90.37(7)
_cell_formula_units_Z            1
_cell_length_a                   8.569(9)
_cell_length_b                   9.991(5)
_cell_length_c                   14.811(5)
_cell_volume                     1194.5(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    4.016
_exptl_crystal_density_diffrn    2.03
_exptl_crystal_F_000             718
_cod_data_source_file            pa0278.cif
_cod_data_source_block           pa0278a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-07
;
_cod_original_cell_volume        1194.5
_cod_original_formula_sum        'C32 H20 N4 O2 Pt1 S24'
_cod_database_code               2000422
Structure of bis[μ-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-<i>N</i>',<i>N</i>^1^,<i>N</i>^2^,<i>N</i>'']-bis[diaquacopper(II)] bis(sulfate) tetrahydrate
van Koningsbruggen, P. J.; Haasnoot, J. G.; de Graaff, R. A. G.; Reedijk, J.; Slingerland, S.; Acta Crystallographica Section C 48 (1992) 1923–1926; doi:10.1107/S0108270192002634

data_2000423
_publ_section_title
;Structure of
 bis[\m-4-amino-3,5-bis(aminomethyl)-1,2,4-triazole-<i>N</i>',<i>N</i>^1^,<i>N</i>^2^,<i>N</i>'']-bis[diaquacopper(II)]
 bis(sulfate) tetrahydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1923
_journal_page_last               1926
_journal_paper_doi               10.1107/S0108270192002634
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H36 Cu2 N12 O16 S2'
_chemical_formula_weight         373.83
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.50(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.009(8)
_cell_length_b                   11.273(4)
_cell_length_c                   13.144(7)
_cell_volume                     2739(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.788
_exptl_crystal_density_diffrn    1.81
_exptl_crystal_F_000             1451.31
_cod_data_source_file            li0125.cif
_cod_data_source_block           li0125a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-08-09
;
_cod_original_cell_volume        2738.8
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000423
Structure of the hydrogen-bond-rich dinickel(II) complex of <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2-aminoethyl)-1,1,2,2-ethanetetraamide
Zhu, S.; Luo, Q.; Shen, M.; Huang, L.; Acta Crystallographica Section C 48 (1992) 1926–1929; doi:10.1107/S0108270192003056

data_2000424
_publ_section_title
;Structure of the hydrogen-bond-rich dinickel(II) complex of
 <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2-aminoethyl)-1,1,2,2-ethanetetraamide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1926
_journal_page_last               1929
_journal_paper_doi               10.1107/S0108270192003056
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C14 H26 N8 Ni2 O4,6(H2 O1)'
_chemical_formula_sum            'C14 H38 N8 Ni2 O10'
_chemical_formula_weight         595.93
_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                 96.18(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.363(3)
_cell_length_b                   8.886(2)
_cell_length_c                   18.321(4)
_cell_volume                     1191.7(6)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.65
_exptl_crystal_density_diffrn    1.66
_exptl_crystal_F_000             628
_cod_data_source_file            br0003.cif
_cod_data_source_block           br0003a
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-04-08
;
_cod_original_cell_volume        1191.6
_cod_database_code               2000424
Etude structurale du dihydrate de l'hexafluorostannate de triméthylammonium
Taha, A.; Liautard, B.; Granier, W.; Acta Crystallographica Section C 48 (1992) 1929–1931; doi:10.1107/S0108270191000550

data_2000425
_publ_section_title
;
 Etude structurale du dihydrate de l'hexafluorostannate de
 trim\'ethylammonium
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1929
_journal_page_last               1931
_journal_paper_doi               10.1107/S0108270191000550
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C3 H10 N1),F6 Sn1,2(H2 O1)'
_chemical_formula_sum            'C6 H24 F6 N2 O2 Sn'
_chemical_formula_weight         388.7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.7(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.76(2)
_cell_length_b                   7.3160(10)
_cell_length_c                   8.177(3)
_cell_volume                     767(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.70906
_exptl_absorpt_coefficient_mu    1.726
_exptl_crystal_density_diffrn    1.69
_exptl_crystal_density_meas      1.72(6)
_exptl_crystal_F_000             194
_cod_data_source_file            du0247.cif
_cod_data_source_block           du0247a
_cod_original_cell_volume        767.2(8)
_cod_original_formula_sum        'C6 H24 F6 N2 O2 Sn1'
_cod_database_code               2000425