LMucko/crystallography-open-database huggingface dataset:
Structure of a densely oxygenated carbocycle
Abboud, K. A.; Enholm, E. J.; Trivellas, A.; Acta Crystallographica Section C 48 (1992) 1695–1698; doi:10.1107/S0108270192001033

data_2000631
_publ_section_title
;
 Structure of a densely oxygenated carbocycle
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1695
_journal_page_last               1698
_journal_paper_doi               10.1107/S0108270192001033
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C24 H44 O7 Si'
_chemical_formula_weight         472.69
_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                   9.4960(10)
_cell_length_b                   12.508(2)
_cell_length_c                   23.317(4)
_cell_volume                     2769.5(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.12
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_F_000             1032
_cod_data_source_file            st0553.cif
_cod_data_source_block           st0553a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18

 Correcting the coordinates of the 'H18d' atom by changing the x coordinate
 from '.0868(14)' to '1.0868(14)'.

 Antanas Vaitkus,
 2018-06-17

 Marking atoms 'Si', 'C17', 'C18', 'C21', 'C22', 'H17a', 'H17b', H17c',
 'H18a', 'H18b', H18c', 'H21a', 'H21b', H21c', 'H22a', 'H22b', H22c' and
 'Si'', 'C17'', 'C18'', 'C21'', 'C22'', 'H17d', 'H17e', H17f',
 'H18d', 'H18e', H18f', 'H21d', 'H21e', H21f', 'H22d', 'H22e', H22f' as
 belonging to disorder groups '1' and '2' with the occupancies of '0.54(1)' and
 '0.46(1)' respectively after consulting the original publication.

 Antanas Vaitkus,
 2018-06-17
;
_cod_original_formula_sum        'C24 H44 O7 Si1'
_cod_database_code               2000631
Structure of 3-methoxytyramine perchlorate
Okabe, N.; Mori, S.; Acta Crystallographica Section C 48 (1992) 1698–1699; doi:10.1107/S0108270192001367

data_2000632
_publ_section_title
;
 Structure of 3-methoxytyramine perchlorate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1698
_journal_page_last               1699
_journal_paper_doi               10.1107/S0108270192001367
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C9 H14 N1 O2,Cl1 O4'
_chemical_formula_sum            'C9 H14 Cl N O6'
_chemical_formula_weight         267.67
_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                92.17(3)
_cell_angle_beta                 93.91(3)
_cell_angle_gamma                96.58(2)
_cell_formula_units_Z            2
_cell_length_a                   8.075(2)
_cell_length_b                   10.086(3)
_cell_length_c                   7.465(2)
_cell_volume                     601.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.329
_exptl_crystal_density_diffrn    1.477
_exptl_crystal_density_meas      1.4830(10)
_exptl_crystal_F_000             278
_cod_data_source_file            as0581.cif
_cod_data_source_block           as0581a
_cod_depositor_comments
;
 Changing the space group from 'P 1' to '-P 1' after consulting the original
 publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_sg_symbol_Hall     'P 1'
_cod_original_sg_symbol_H-M      'P 1'
_cod_original_formula_sum        'C9 H14 Cl1 N1 O6'
_cod_database_code               2000632
Structure of an acetone solvate of 7,9-diacetyl-2,5-dinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonane
George, C.; Gilardi, R.; Flippen-Anderson, J. L.; Acta Crystallographica Section C 48 (1992) 1699–1701; doi:10.1107/S0108270192000933

data_2000633
_publ_section_title
;
 Structure of an acetone solvate of
 7,9-diacetyl-2,5-dinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonane
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1699
_journal_page_last               1701
_journal_paper_doi               10.1107/S0108270192000933
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C9 H14 N6 O6,0.5(C3 H6 O1)'
_chemical_formula_sum            'C12 H20 N6 O7'
_chemical_formula_weight         331.29
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.512(5)
_cell_length_b                   9.1420(10)
_cell_length_c                   10.872(2)
_cell_volume                     2930.5(8)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    1.04
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_F_000             1392
_cod_data_source_file            hh0607.cif
_cod_data_source_block           hh0607a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000633
2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
Evans, K. L.; Fronczek, F. R.; Gandour, R. D.; Acta Crystallographica Section C 48 (1992) 1701–1703; doi:10.1107/S0108270192001586

data_2000634
_publ_section_title
;
 2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1701
_journal_page_last               1703
_journal_paper_doi               10.1107/S0108270192001586
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H9 Cl O2'
_chemical_formula_weight         184.6
_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                 103.173(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1261(11)
_cell_length_b                   14.4215(9)
_cell_length_c                   7.6839(6)
_cell_volume                     876.79(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.55
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_F_000             384
_cod_data_source_file            st0566.cif
_cod_data_source_block           st0566a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15
;
_cod_original_cell_volume        876.8(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C9 H9 Cl1 O2'
_cod_database_code               2000634
2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
Evans, K. L.; Fronczek, F. R.; Gandour, R. D.; Acta Crystallographica Section C 48 (1992) 1701–1703; doi:10.1107/S0108270192001586

data_2000635
_publ_section_title
;
 2-Chloro-2'-methoxyacetophenone and 2-chloro-4'-methoxyacetophenone
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1701
_journal_page_last               1703
_journal_paper_doi               10.1107/S0108270192001586
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C9 H9 Cl O2'
_chemical_formula_weight         184.6
_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                 111.097(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6079(7)
_cell_length_b                   12.296(2)
_cell_length_c                   9.9240(13)
_cell_volume                     866.1(2)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    3.59
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_F_000             384
_cod_data_source_file            st0566.cif
_cod_data_source_block           st0566b
_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        'C9 H9 Cl1 O2'
_cod_database_code               2000635
Structure of a tricyclic subunit of manzamine A
Lynch, V. M.; Liao, Y.; Martin, S. F.; Davis, B. E.; Acta Crystallographica Section C 48 (1992) 1703–1705; doi:10.1107/S0108270192001045

data_2000636
_publ_section_title
;
 Structure of a tricyclic subunit of manzamine A
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1703
_journal_page_last               1705
_journal_paper_doi               10.1107/S0108270192001045
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C20 H29 N2,I1'
_chemical_formula_sum            'C20 H29 I N2'
_chemical_formula_weight         424.37
_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                 91.56(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.441(4)
_cell_length_b                   10.378(4)
_cell_length_c                   20.023(9)
_cell_volume                     1961.1(14)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    1.616
_exptl_crystal_density_diffrn    1.44
_exptl_crystal_F_000             864
_cod_data_source_file            st0569.cif
_cod_data_source_block           st0569a
_cod_original_cell_volume        1961.0(10)
_cod_original_formula_sum        'C20 H29 I1 N2'
_cod_database_code               2000636
Structure of mepirizole.H(mepirizole) hexafluorophosphate
Soto, L.; Garcia-Lozano, J.; Martinez, M.; Dahan, F.; Legros, J.-P.; Acta Crystallographica Section C 48 (1992) 1705–1707; doi:10.1107/S0108270192001380

data_2000637
_publ_section_title
;
 Structure of mepirizole.H(mepirizole) hexafluorophosphate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1705
_journal_page_last               1707
_journal_paper_doi               10.1107/S0108270192001380
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'C22 H29 N8 O4,F4 P1'
_chemical_formula_sum            'C22 H29 F6 N8 O4 P'
_chemical_formula_weight         614.5
_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                 101.510(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4097(7)
_cell_length_b                   22.186(2)
_cell_length_c                   12.7420(10)
_cell_volume                     2883.6(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.17
_exptl_crystal_density_diffrn    1.42
_exptl_crystal_F_000             1272
_cod_data_source_file            pa0273.cif
_cod_data_source_block           pa0273a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19
;
_cod_original_cell_volume        2883.6(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C22 H29 F6 N8 O4 P1'
_cod_database_code               2000637
Synthesis and structure of aluminium selenite trihydrate, Al~2~(SeO~3~)~3~.3H~2~O
Harrison, W. T. A.; Stucky, G. D.; Morris, R. E.; Cheetham, A. K.; Acta Crystallographica Section C 48 (1992) 1365–1367; doi:10.1107/S0108270192000015

data_2000652
_publ_section_title
;
 Synthesis and structure of aluminium selenite trihydrate,
 Al~2~(SeO~3~)~3~.3H~2~O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1365
_journal_page_last               1367
_journal_paper_doi               10.1107/S0108270192000015
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Al2 H6 O12 Se3'
_chemical_formula_weight         488.88
_space_group_IT_number           161
_space_group_name_Hall           'P 3* -2n'
_space_group_name_H-M_alt        'R 3 c :R'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3* -2n'
_symmetry_space_group_name_H-M   'R 3 c :R'
_cell_angle_alpha                65.527(3)
_cell_angle_beta                 65.527(3)
_cell_angle_gamma                65.527(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3806(4)
_cell_length_b                   8.3806(4)
_cell_length_c                   8.3806(4)
_cell_volume                     535.72(5)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.97
_exptl_crystal_density_diffrn    3.48
_exptl_crystal_F_000             460
_cod_data_source_file            cr0386.cif
_cod_data_source_block           cr0386a
_cod_depositor_comments
;
 Adding symmetry operators and changing space groups symbols. Also,
 changing _cell_angle_beta and _cell_angle_gamma data item values from
 the default '90' to '65.527(3)' after consulting the original publication.

 Antanas Vaitkus,
 2017-02-07
;
_cod_original_cell_volume        466.2
_cod_original_sg_symbol_Hall     'R 3* 2'
_cod_original_sg_symbol_H-M      'R 32r'
_cod_database_code               2000652
Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K
Mereiter, K.; Preisinger, A.; Acta Crystallographica Section C 48 (1992) 1367–1370; doi:10.1107/S0108270191015081

data_2000653
_publ_section_title
;
 Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at
 295 and 125 K
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1367
_journal_page_last               1370
_journal_paper_doi               10.1107/S0108270191015081
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 H6 N2 O3 S2 Sr'
_chemical_formula_weight         257.82
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.270(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5010(10)
_cell_length_b                   7.1400(10)
_cell_length_c                   13.470(2)
_cell_volume                     911.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.14
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_F_000             504
_cod_data_source_file            se0079.cif
_cod_data_source_block           se0079a
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_cell_volume        911.3(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C2 H6 N2 O3 S2 Sr1'
_cod_database_code               2000653
Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at 295 and 125 K
Mereiter, K.; Preisinger, A.; Acta Crystallographica Section C 48 (1992) 1367–1370; doi:10.1107/S0108270191015081

data_2000654
_publ_section_title
;
 Structure of strontium thiocyanate trihydrate, Sr(SCN)~2~.3H~2~O, at
 295 and 125 K
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1367
_journal_page_last               1370
_journal_paper_doi               10.1107/S0108270191015081
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 H6 N2 O6 S2 Sr'
_chemical_formula_weight         257.82
_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_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.51(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.452(2)
_cell_length_b                   7.103(2)
_cell_length_c                   13.373(3)
_cell_volume                     895.1(4)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    6.29
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_F_000             504
_cod_data_source_file            se0079.cif
_cod_data_source_block           se0079b
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C2 H6 N2 O6 S2 Sr1'
_cod_database_code               2000654
Structure of 2RbCl.CuCl~2~.2H~2~O
Waizumi, K.; Masuda, H.; Ohtaki, H.; Burkov, K. A.; Chernykh, L.; Acta Crystallographica Section C 48 (1992) 1374–1376; doi:10.1107/S0108270192000180

data_2000655
_publ_section_title
;
 Structure of 2RbCl.CuCl~2~.2H~2~O
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1374
_journal_page_last               1376
_journal_paper_doi               10.1107/S0108270192000180
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         'Cl4 Cu1 Rb2,2(H2 O1)'
_chemical_formula_sum            'Cl4 Cu H4 O2 Rb2'
_chemical_formula_weight         412.32
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.596(2)
_cell_length_b                   7.596(2)
_cell_length_c                   8.027(3)
_cell_volume                     463.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    13.63
_exptl_crystal_density_diffrn    2.957
_exptl_crystal_F_000             382
_cod_data_source_file            as0559.cif
_cod_data_source_block           as0559a
_cod_original_cell_volume        463.1(2)
_cod_original_formula_sum        'H4 Cl4 Cu1 O2 Rb2'
_cod_database_code               2000655
Structure of Sr~2~Bi~2~O~5~ from X-ray and neutron powder diffraction data
Vente, J. F.; Helmholdt, R. B.; IJdo, D. J. W.; Acta Crystallographica Section C 48 (1992) 1380–1382; doi:10.1107/S0108270192000581

data_2000656
_publ_section_title
;
 Structure of Sr~2~Bi~2~O~5~ from X-ray and neutron powder diffraction
 data
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1380
_journal_page_last               1382
_journal_paper_doi               10.1107/S0108270192000581
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Bi2 O5 Sr2'
_chemical_formula_weight         673.20
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8268(2)
_cell_length_b                   14.3142(6)
_cell_length_c                   6.1724(4)
_cell_volume                     338.11(3)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.57171(7)
_exptl_crystal_density_diffrn    6.6390(10)
_exptl_crystal_F_000             120.26
_cod_data_source_file            mu0273.cif
_cod_data_source_block           mu0273a
_cod_original_cell_volume        338.11(2)
_cod_database_code               2000656
Structure of Sr~5~(BO~3~)~3~Cl
Alekel, T.; Keszler, D. A.; Acta Crystallographica Section C 48 (1992) 1382–1386; doi:10.1107/S0108270192000507

data_2000657
_publ_section_title
;
 Structure of Sr~5~(BO~3~)~3~Cl
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1382
_journal_page_last               1386
_journal_paper_doi               10.1107/S0108270192000507
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'B3 Cl O9 Sr5'
_chemical_formula_weight         649.98
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.000(2)
_cell_length_b                   14.202(2)
_cell_length_c                   7.4210(10)
_cell_volume                     1053.9(3)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    24.7
_exptl_crystal_density_diffrn    4.096
_exptl_crystal_F_000             1176
_cod_data_source_file            hh0561.cif
_cod_data_source_block           hh0561a
_cod_original_formula_sum        'B3 Cl1 O9 Sr5'
_cod_database_code               2000657
Structure of a Te-methylene-Te bridged double-butterfly complex
Das, K.; Sinha, U. C.; Mathur, P.; Acta Crystallographica Section C 48 (1992) 1386–1389; doi:10.1107/S0108270191014488

data_2000658
_publ_section_title
;
 Structure of a Te-methylene-Te bridged double-butterfly complex
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1386
_journal_page_last               1389
_journal_paper_doi               10.1107/S0108270191014488
_journal_volume                  48
_journal_year                    1992
_chemical_formula_moiety         '2(C7 H3 Fe2 O6 Te1),C1 H2 Te2'
_chemical_formula_sum            'C15 H8 Fe4 O12 Te4'
_chemical_formula_weight         1090.01
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.865(10)
_cell_length_b                   13.787(7)
_cell_length_c                   14.733(4)
_cell_volume                     5671.86
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    5.83
_exptl_crystal_density_diffrn    2.637
_exptl_crystal_F_000             4096
_cod_data_source_file            al0505.cif
_cod_data_source_block           al0505a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2000658