LMucko/crystallography-open-database huggingface dataset:
Structures of two dibenzotetrathiafulvalene (DBTTF) salts: (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3 Sample: Compound 1
Watson, W. H.; Kashyap, R. P.; Acta Crystallographica, Section C 46 (1990) 2312–2316; doi:10.1107/S0108270190004553

data_9007861
_publ_section_title
;
 Structures of two dibenzotetrathiafulvalene (DBTTF) salts:
 (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3
 Sample: Compound 1
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2312
_journal_page_last               2316
_journal_paper_doi               10.1107/S0108270190004553
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     C14H8S4I3
_chemical_formula_sum            'C14 I3 S4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.03
_cell_angle_gamma                90
_cell_length_a                   19.831
_cell_length_b                   9.266
_cell_length_c                   14.515
_cell_formula_units_Z            6
_cell_volume                     2667.190
_database_code_amcsd             0010224
_exptl_crystal_density_diffrn    2.529
_cod_original_cell_volume        2667.189
_cod_original_formula_sum        'I3 C14 S4'
_cod_database_code               9007861
_amcsd_formula_title             C14H8S4I3
Structures of two dibenzotetrathiafulvalene (DBTTF) salts: (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3 Sample: Compound 2
Watson, W. H.; Kashyap, R. P.; Acta Crystallographica, Section C 46 (1990) 2312–2316; doi:10.1107/S0108270190004553

data_9007862
_publ_section_title
;
 Structures of two dibenzotetrathiafulvalene (DBTTF) salts:
 (DBTTF)Cu(NCS)2 and a redetermination of (DBTTF)I3
 Sample: Compound 2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2312
_journal_page_last               2316
_journal_paper_doi               10.1107/S0108270190004553
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     C14H8S4Cu(NCS)2
_chemical_formula_sum            'C16 Cu N2 S6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.07
_cell_angle_beta                 108.25
_cell_angle_gamma                112.50
_cell_length_a                   8.390
_cell_length_b                   9.667
_cell_length_c                   12.699
_cell_formula_units_Z            2
_cell_volume                     877.886
_database_code_amcsd             0010225
_exptl_crystal_density_diffrn    1.801
_cod_original_formula_sum        'Cu N2 C16 S6'
_cod_database_code               9007862
_amcsd_formula_title             C14H8S4Cu(NCS)2
Structure of dibenzoatodioxouranium(VI)
Cousson, A.; Proust, J.; Pages, M.; Robert, F.; Rizkalla, E. N.; Acta Crystallographica, Section C 46 (1990) 2316–2318; doi:10.1107/S0108270190002761

data_9007863
_publ_section_title
;
 Structure of dibenzoatodioxouranium(VI)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2316
_journal_page_last               2318
_journal_paper_doi               10.1107/S0108270190002761
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     U(C7H5O2)2O2
_chemical_formula_sum            'C14 H10 O6 U'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.81
_cell_angle_gamma                90
_cell_length_a                   7.604
_cell_length_b                   17.408
_cell_length_c                   5.296
_cell_formula_units_Z            2
_cell_volume                     697.433
_database_code_amcsd             0010226
_exptl_crystal_density_diffrn    2.439
_cod_original_formula_sum        'U O6 C14 H10'
_cod_database_code               9007863
_amcsd_formula_title             U(C7H5O2)2O2
Structure of Tris(n5-cyclopentadienyl)phenolatouranium(IV)
Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Van den Bossche, G.; Kanellakopulos, B.; Acta Crystallographica, Section C 46 (1990) 2318–2320; doi:10.1107/S0108270190005054

data_9007864
_publ_section_title
;
 Structure of Tris(n5-cyclopentadienyl)phenolatouranium(IV)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2318
_journal_page_last               2320
_journal_paper_doi               10.1107/S0108270190005054
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     UC6H5O(C5H5)3
_chemical_formula_sum            'C21 O U'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.331
_cell_length_b                   8.899
_cell_length_c                   23.337
_cell_formula_units_Z            4
_cell_volume                     1730.148
_database_code_amcsd             0010227
_exptl_crystal_density_diffrn    1.944
_cod_original_formula_sum        'U O C21'
_cod_database_code               9007864
_amcsd_formula_title             UC6H5O(C5H5)3
Structural characterization of the RuIII benzonitrile complexes (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]
Duff, C. M.; Heath, G. A.; Willis, A. C.; Acta Crystallographica, Section C 46 (1990) 2320–2324; doi:10.1107/S0108270190004693

data_9007865
_publ_section_title
;
 Structural characterization of the RuIII benzonitrile complexes
 (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2320
_journal_page_last               2324
_journal_paper_doi               10.1107/S0108270190004693
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     C12H28N(RuCl4(C7H5N)2)
_chemical_formula_sum            'C64 Cl4 N6 Ru'
_space_group_IT_number           14
_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                 113.66
_cell_angle_gamma                90
_cell_length_a                   15.627
_cell_length_b                   13.936
_cell_length_c                   17.319
_cell_formula_units_Z            2
_cell_volume                     3454.658
_database_code_amcsd             0010228
_exptl_crystal_density_diffrn    1.053
_cod_original_cell_volume        3454.657
_cod_original_formula_sum        'Cl4 N6 C64 Ru'
_cod_database_code               9007865
_amcsd_formula_title             C12H28N(RuCl4(C7H5N)2)
Structural characterization of the RuIII benzonitrile complexes (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]
Duff, C. M.; Heath, G. A.; Willis, A. C.; Acta Crystallographica, Section C 46 (1990) 2320–2324; doi:10.1107/S0108270190004693

data_9007866
_publ_section_title
;
 Structural characterization of the RuIII benzonitrile complexes
 (Bu4N)[RuCl4(C6H5CN)2] and [RuCl3(C6H5CN)3]
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2320
_journal_page_last               2324
_journal_paper_doi               10.1107/S0108270190004693
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     RuCl3(C6H5CN)3.0.5(C6H5CN)
_chemical_formula_sum            'C24.5 Cl3 N3.5 Ru'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.86
_cell_angle_beta                 87.60
_cell_angle_gamma                88.64
_cell_length_a                   9.981
_cell_length_b                   10.895
_cell_length_c                   11.563
_cell_formula_units_Z            2
_cell_volume                     1240.155
_database_code_amcsd             0010229
_exptl_crystal_density_diffrn    1.475
_cod_original_formula_sum        'Ru Cl3 N3.5 C24.5'
_cod_database_code               9007866
_amcsd_formula_title             RuCl3(C6H5CN)3.0.5(C6H5CN)
{2,2'-dimethyl-1,1'-[(N,N'-2H2)-ethylenediamino]dipropane- 2-thiolato-N,N',S,S'}-oxotechnetium(V) chloride monodeuterate
Faggiani, R.; Lock, C. J. L.; Epps, L. A.; Kramer, A. V.; Brune, H. D.; Acta Crystallographica, Section C 46 (1990) 2324–2327; doi:10.1107/S0108270190004085

data_9007867
_publ_section_title
;
 {2,2'-dimethyl-1,1'-[(N,N'-2H2)-ethylenediamino]dipropane-
 2-thiolato-N,N',S,S'}-oxotechnetium(V) chloride monodeuterate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2324
_journal_page_last               2327
_journal_paper_doi               10.1107/S0108270190004085
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     TcC10H20D2N2S2OCl.D2O
_chemical_formula_sum            'C10 Cl N2 O2 S2 Tc'
_space_group_IT_number           14
_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                 96.89
_cell_angle_gamma                90
_cell_length_a                   6.160
_cell_length_b                   26.727
_cell_length_c                   10.319
_cell_formula_units_Z            4
_cell_volume                     1686.634
_exptl_crystal_density_diffrn    1.487
_cod_depositor_comments
;
 Fixing _atom_site_label values from 'Sl' to 'S1'.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'Tc S2 N2 C10 Cl O2'
_cod_database_code               9007867
_database_code_amcsd 0010230
Structure of aqua(ethylenediaminetetraacetato)ruthenium(III)
Okamoto, K.; Hidaka, J.; Iida, I.; Higashino, K.; Kanamori, K.; Acta Crystallographica, Section C 46 (1990) 2327–2329; doi:10.1107/S0108270190004942

data_9007868
_publ_section_title
;
 Structure of aqua(ethylenediaminetetraacetato)ruthenium(III)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2327
_journal_page_last               2329
_journal_paper_doi               10.1107/S0108270190004942
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     RuC10H13N2O8H2O
_chemical_formula_sum            'C10 H2 N2 O9 Ru'
_space_group_IT_number           14
_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                 99.66
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.415
_cell_length_b                   8.831
_cell_length_c                   17.633
_cell_volume                     1291.779
_exptl_crystal_density_diffrn    2.032
_cod_original_formula_sum        'Ru O9 N2 C10 H2'
_cod_database_code               9007868
_database_code_amcsd 0010231
The structure of 1,1,1,2,2,2,3,3-octacarbonyl-u-(1-3-n-cyclododeca-1,6,9- trien-1-yl-3-ylidene)-2,3-u-hydrido-3-[(As,As,As',As'-tetraphenyl)methylenebis (arsine)-As]-triangula-triruthenium(0)(3 Ru-Ru)
Fun, H. K.; Bin Shawkataly, O.; Teohs, S. G.; Acta Crystallographica, Section C 46 (1990) 2329–2331; doi:10.1107/S0108270190004565

data_9007869
_publ_section_title
;The structure of 1,1,1,2,2,2,3,3-octacarbonyl-u-(1-3-n-cyclododeca-1,6,9-
 trien-1-yl-3-ylidene)-2,3-u-hydrido-3-[(As,As,As',As'-tetraphenyl)methylenebis
 (arsine)-As]-triangula-triruthenium(0)(3 Ru-Ru)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2329
_journal_page_last               2331
_journal_paper_doi               10.1107/S0108270190004565
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ru3(C12H15)(H)(C25H22As2)(CO)8
_chemical_formula_sum            'C45 As2 O8 Ru3'
_space_group_IT_number           29
_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            4
_cell_length_a                   30.385
_cell_length_b                   10.047
_cell_length_c                   14.402
_cell_volume                     4396.615
_database_code_amcsd             0010232
_exptl_crystal_density_diffrn    1.694
_cod_original_formula_sum        'Ru3 As2 C45 O8'
_cod_database_code               9007869
Structure de Ti6(CH3COO)8(OPR)8O4
Laaziz, P. I.; Larbot, A.; Guizard, C.; Durand, J.; Cot, L.; Joffre, J.; Acta Crystallographica, Section C 46 (1990) 2332–2334; doi:10.1107/S0108270190003134

data_9007870
_publ_section_title
;
 Structure de Ti6(CH3COO)8(OPR)8O4
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2332
_journal_page_last               2334
_journal_paper_doi               10.1107/S0108270190003134
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ti6(CH3COO)8(OPr)8O4
_chemical_formula_sum            'C20 O14 Ti3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                108.54
_cell_angle_beta                 96.54
_cell_angle_gamma                106.07
_cell_length_a                   9.361
_cell_length_b                   11.852
_cell_length_c                   15.791
_cell_formula_units_Z            2
_cell_volume                     1556.435
_database_code_amcsd             0010233
_exptl_crystal_density_diffrn    1.297
_cod_original_formula_sum        'Ti3 O14 C20'
_cod_database_code               9007870
_amcsd_formula_title             Ti6(CH3COO)8(OPr)8O4
Structure of (nonacarbonyl-1K4C,2K3C,3K2C)-u-(hydrido-2:3K2H)-u- (methoxymethylidyne-2:3K2C)-(triphenylphosphine-3KP)-triangulo- triruthenium(3 Ru-Ru)
Evans, J.; Stroud, P. M.; Webster, M.; Acta Crystallographica, Section C 46 (1990) 2334–2337; doi:10.1107/S0108270190004371

data_9007871
_publ_section_title
;
 Structure of (nonacarbonyl-1K4C,2K3C,3K2C)-u-(hydrido-2:3K2H)-u-
 (methoxymethylidyne-2:3K2C)-(triphenylphosphine-3KP)-triangulo-
 triruthenium(3 Ru-Ru)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2334
_journal_page_last               2337
_journal_paper_doi               10.1107/S0108270190004371
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Ru3H(CO)9(C2H3O)(C6H5)3P
_chemical_formula_sum            'C29 H O10 P Ru3'
_space_group_IT_number           15
_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                 99.45
_cell_angle_gamma                90
_cell_length_a                   21.793
_cell_length_b                   15.945
_cell_length_c                   18.648
_cell_formula_units_Z            8
_cell_volume                     6392.044
_database_code_amcsd             0010234
_exptl_crystal_density_diffrn    1.753
_cod_original_formula_sum        'Ru3 P C29 O10 H'
_cod_database_code               9007871
_amcsd_formula_title             Ru3H(CO)9(C2H3O)(C6H5)3P
(n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*
Hammel, A.; Schwarz, W.; Weidlein, J.; Acta Crystallographica, Section C 46 (1990) 2337–2339; doi:10.1107/S0108270190003997

data_9007872
_publ_section_title
;
 (n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2337
_journal_page_last               2339
_journal_paper_doi               10.1107/S0108270190003997
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Li(C6H7)(C6H16N2)
_chemical_formula_sum            'C12 Li N2'
_space_group_IT_number           61
_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_length_a                   11.238
_cell_length_b                   16.014
_cell_length_c                   14.522
_cell_formula_units_Z            8
_cell_volume                     2613.457
_database_code_amcsd             0010235
_exptl_crystal_density_diffrn    0.910
_cod_original_formula_sum        'Li N2 C12'
_cod_database_code               9007872
_amcsd_formula_title             Li(C6H7)(C6H16N2)
Structure of 1,1,1,2,2,3,3-heptacarbonyl-1,2,3-u3-ethylidyne-2,3- bis(triphenyl-phosphite)-triangulo-tricobalt(0)
Maginn, S. J.; Acta Crystallographica, Section C 46 (1990) 2339–2341; doi:10.1107/S0108270190003286

data_9007873
_publ_section_title
;
 Structure of 1,1,1,2,2,3,3-heptacarbonyl-1,2,3-u3-ethylidyne-2,3-
 bis(triphenyl-phosphite)-triangulo-tricobalt(0)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2339
_journal_page_last               2341
_journal_paper_doi               10.1107/S0108270190003286
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Co3(C2H3)(CO)7(C18H15O3P)2
_chemical_formula_sum            'C45 Co3 O13 P2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.61
_cell_angle_beta                 103.21
_cell_angle_gamma                70.93
_cell_length_a                   11.311
_cell_length_b                   11.541
_cell_length_c                   18.805
_cell_formula_units_Z            2
_cell_volume                     2247.310
_database_code_amcsd             0010236
_exptl_crystal_density_diffrn    1.459
_cod_original_formula_sum        'Co3 P2 O13 C45'
_cod_database_code               9007873
_amcsd_formula_title             Co3(C2H3)(CO)7(C18H15O3P)2
Structure of sodium thiosaccharinate monohydrate
Penavic, M.; Jovanovski, G.; Grupce, O.; Acta Crystallographica, Section C 46 (1990) 2341–2344; doi:10.1107/S0108270190003559

data_9007874
_publ_section_title
;
 Structure of sodium thiosaccharinate monohydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2341
_journal_page_last               2344
_journal_paper_doi               10.1107/S0108270190003559
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     NaC7H4NO2S2.H2O
_chemical_formula_sum            'C7 H6 N Na O3 S2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.499
_cell_length_b                   26.895
_cell_length_c                   4.705
_cell_volume                     948.931
_exptl_crystal_density_diffrn    1.675
_cod_original_formula_sum        'Na S2 O3 C7 N H6'
_cod_database_code               9007874
_database_code_amcsd 0010237
Structure of tetrakis(2,3-dihydro-1,3-thiazole-2-thione)palladium(II) dichloride 2,3-dihydro-1,3-thiazole-2-thione solvate
Raper, E. S.; Britton, A. M.; Clegg, W.; Acta Crystallographica, Section C 46 (1990) 2344–2346; doi:10.1107/S0108270190003511

data_9007875
_publ_section_title
;
 Structure of tetrakis(2,3-dihydro-1,3-thiazole-2-thione)palladium(II)
 dichloride 2,3-dihydro-1,3-thiazole-2-thione solvate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2344
_journal_page_last               2346
_journal_paper_doi               10.1107/S0108270190003511
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Pd(C3H3NS2)4Cl2C3H3NS2
_chemical_formula_sum            'C15 Cl2 N5 Pd S10'
_space_group_IT_number           14
_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                 100.91
_cell_angle_gamma                90
_cell_length_a                   11.546
_cell_length_b                   17.749
_cell_length_c                   13.724
_cell_formula_units_Z            4
_cell_volume                     2761.625
_database_code_amcsd             0010238
_exptl_crystal_density_diffrn    1.800
_cod_original_formula_sum        'Pd Cl2 S10 C15 N5'
_cod_database_code               9007875
_amcsd_formula_title             Pd(C3H3NS2)4Cl2C3H3NS2
Structure of a copper(I) complex of a tripodal schiff-base ligand, {tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I) triiodide chloroform solvate
Alyea, E. C.; Ferguson, G.; Jennings, M. C.; Xu, Z.; Acta Crystallographica, Section C 46 (1990) 2347–2349; doi:10.1107/S0108270190004024

data_9007876
_publ_section_title
;
 Structure of a copper(I) complex of a tripodal schiff-base ligand,
 {tris-[4-(2-thienyl)-3-aza-3-butenyl]amine}copper(I)
 triiodide chloroform solvate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2347
_journal_page_last               2349
_journal_paper_doi               10.1107/S0108270190004024
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Cu(C21H24N4S3)I3CHCl3
_chemical_formula_sum            'C22 Cl3 Cu I3 N4 S3'
_space_group_IT_number           15
_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                 96.56
_cell_angle_gamma                90
_cell_length_a                   31.869
_cell_length_b                   11.425
_cell_length_c                   18.215
_cell_formula_units_Z            8
_cell_volume                     6588.720
_database_code_amcsd             0010239
_exptl_crystal_density_diffrn    1.950
_cod_original_formula_sum        'Cu S3 N4 C22 I3 Cl3'
_cod_database_code               9007876
_amcsd_formula_title             Cu(C21H24N4S3)I3CHCl3
Structure of trans-dibromobis(5,7-dimethyl-8H-[1,2,4]triazolo[1,5-a] pyrimidine)-palladium(II) methanol solvate
Hage, R.; de Graaff, R. A. G.; Haasnoot, J. G.; Kieler, K.; Reedijk, J.; Acta Crystallographica, Section C 46 (1990) 2349–2351; doi:10.1107/S0108270190005042

data_9007877
_publ_section_title
;
 Structure of trans-dibromobis(5,7-dimethyl-8H-[1,2,4]triazolo[1,5-a]
 pyrimidine)-palladium(II) methanol solvate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2349
_journal_page_last               2351
_journal_paper_doi               10.1107/S0108270190005042
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     PdBr2(C7H8N4)2CH3OH
_chemical_formula_sum            'C16 Br2 N8 O2 Pd'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                123.54
_cell_angle_beta                 92.25
_cell_angle_gamma                109.31
_cell_length_a                   9.153
_cell_length_b                   8.858
_cell_length_c                   8.317
_cell_formula_units_Z            1
_cell_volume                     508.871
_database_code_amcsd             0010240
_exptl_crystal_density_diffrn    1.966
_cod_original_formula_sum        'Pd Br2 N8 C16 O2'
_cod_database_code               9007877
_amcsd_formula_title             PdBr2(C7H8N4)2CH3OH