Crystallography Open Database

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1100079 CIFH12 Mg O9 S2P n m a9.324; 14.461; 6.862
90; 90; 90
925.2Elerman, Y; Bats, J W; Fuess, H
Deformation Density in Complex Anions. IV. Magnesium Thiosulfate Hexahydrate, Mg S~2~ O~3~ * 6H2 O
Acta Crystallographica C (39,1983-), 1983, 39, 515-518
1100907 CIFC17 H15 N O4P 21 21 2110.7589; 17.8696; 22.667
90; 90; 90
4357.9Brady, Fiona; Gallagher, John F.
Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid
Acta Crystallographica, Section C, 2000, 56, 1407-1410
1100908 CIF
HKL
C18 H22 Cu N2 O5C 1 2/c 115.922; 5.7331; 21.341
90; 91.097; 90
1947.6Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen
Aquabis(crotonato)bis(pyridine)copper(II)
Acta Crystallographica Section C, 2000, 56, e505-e506
1100910 CIFBi0.4 Fe3 O13 P3P 1 21/m 17.496; 6.308; 10.125
90; 100.11; 90
471.32Benabad, Aicha; Bakhous, Karima; Cherkaoui, Fatima; Holt, Elizabeth M.
Bismuth(V) iron(III) tris(phosphate) oxide
Acta Crystallographica, Section C, 2000, 56, 1292-1293
1100911 CIFC5 D4 Fe N6 Na2 O3P n n m6.207; 11.915; 15.583
90; 90; 90
1152.5Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction
Acta Crystallographica, Section C, 2000, 56, 1289-1291
1100912 CIFC5 D4 Fe N6 Na2 O3P n n m6.124; 11.837; 15.547
90; 90; 90
1127Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction
Acta Crystallographica, Section C, 2000, 56, 1289-1291
1100913 CIFC5 H1.1 D2.9 Fe N6 Na2 O3P n n m6.124; 11.837; 15.547
90; 90; 90
1127Schultz, Arthur J.; Figgis, Brian N.; Sobolev, Alexandre N.
Na~2~Fe(CN)~5~NO.2D~2~O at 11 and 293 K by X-ray and at 15 K by neutron diffraction
Acta Crystallographica, Section C, 2000, 56, 1289-1291
1100916 CIFAg Nb O3P b c m5.5462; 5.6028; 15.6365
90; 90; 90
485.9Fabry, Jan; Zikmund, Zdenek; Kania, Antoni; Petricek, Vaclav
Structural study of AgNbO~3~ at room temperature
Acta Crystallographica, Section C, 2000, 56, 916-918
1200001 CIFC14 H17 N O4 SP b c a15.9407; 9.1737; 19.015
90; 90; 90
2780.7Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka
Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides
Acta Crystallographica, Section C, 2001, 57, 1454-1456
2000000 CIF
Paper
C16 H44 Co Nd2 O26P -18.243; 10.368; 11.497
111.64; 107.94; 93.45
851.974A. Gonzalez; A. Beltran; A. le Bail
Structure of the decahydrated octaacetate of dineodymium(III) and cobalt(II)
Acta Crystallographica Section C, 1991, 47, 1624-1627
2000007 CIF
Paper
C22 H26 O7P 1 21/c 17.257; 14.474; 19.88
90; 103.38; 90
2031.5K. Khamlach; R. Dhal; E. Brown; M. Leblanc; G. Ferey
Room-temperature structure of (±)-methyltrachelogenin
Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1989, 45, 1746-1748
2000109 CIFC2 H20 N2 O17 P4 SrP b c a17.863; 15.317; 13.109
90; 90; 90
3586.72M. Bagieu-Beucher; A. Durif; J. C. Guitel
Structure of a strontium ethylenediammonium cyclo-tetraphosphate hydrate
Acta Crystallogr.,Sect.C:Cryst.Struct.Commun., 1988, 44, 2063-2065
2000136 CIF
Paper
C11 H12 Cl2 Cu N2 O3P 1 21/c 116.42; 8.545; 19.001
90; 90.3; 90
2666Koman, M.; Baran, P.; Valigura, D.
Structure of (2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide)dichloro(methanol)copper(II), [Cu(bpyO~2~)(MeOH)Cl~2~]
Acta Crystallographica Section C, 1991, 47, 2529-2531
2000137 CIF
Paper
C20 H20 Co3 I In N O12P 1 21/c 111.341; 16.551; 16.429
90; 92.11; 90
3081.7Clarkson, L. M.; Farrugia, L. J.; Norman, N. C.
Structure of [Et~4~N][InI{Co(CO)~4~}~3~]
Acta Crystallographica Section C, 1991, 47, 2525-2526
2000138 CIF
Paper
C16 H18 N8 Ni O6P 1 21/c 19.2; 8.658; 12.654
90; 98.82; 90
996.02Ciunik, Z.; Wolny, J. A.; Rudolf, M. F.
Structure of bis(1-ethyl-3-<i>p</i>-nitrophenyltriazene 1-oxide)nickel(II)
Acta Crystallographica Section C, 1991, 47, 2539-2541
2000139 CIF
Paper
C16 H12 As F6 O4 S2C 1 2/m 117.992; 10.612; 9.373
90; 94.22; 90
1784.7Noreland, J.; Olovsson, G.; Olovsson, I.
Structure of the organic semiconducting radical cation salt [2,3;7,8-bis(ethylenedioxy)thianthrene] hexafluoroarsenate
Acta Crystallographica Section C, 1991, 47, 2542-2545
2000140 CIF
Paper
C37 H47 N4 RhP -110.973; 11.875; 14.211
108.03; 105.41; 100.92
1621.3Whang, D.; Kim, K.
Structure of a new form of octaethylporphyrinato(methyl)rhodium(III)
Acta Crystallographica Section C, 1991, 47, 2547-2550
2000141 CIF
Paper
C18 H28 N4 S Se2P 1 21/c 16.455; 19.99; 16.43
90; 101.4; 90
2078Billing, D. G.; Boeyens, J. C. A.; Denner, L.; Hellyar, M. D.; Lai, L.-L.; Matthee, A. J.; Reid, D. H.
Structure of 2,3-dicyclohexyl-6,7-dihydro-5<i>H</i>-2aλ^4^-thia-2,3,4a,7a-tetraazacyclopent[<i>cd</i>]indene-1(2<i>H</i>),4(2<i>H</i>)-diselone
Acta Crystallographica Section C, 1991, 47, 2564-2567
2000142 CIF
Paper
C5 H8 N2 O2P 1 21/n 15.163; 23.472; 5.458
90; 97.08; 90
656.4Fawcett, S. M.; Sawyer, L.; Blake, A. J.
Structure of β-ammoniumpropionitrile hemifumarate
Acta Crystallographica Section C, 1991, 47, 2569-2572
2000143 CIF
Paper
C12 H10 N6 O5P 1 21/c 17.1026; 9.404; 21.372
90; 108.246; 90
1355.7Peters, D. A.; Beddoes, R. L.; Allway, P. A.; Joule, J. A.
Structure of 3-methoxypyrazine-2-carbaldehyde 2,4-dinitrophenylhydrazone
Acta Crystallographica Section C, 1991, 47, 2588-2591
2000144 CIF
Paper
C32 H38 N2 O5C 1 2 130.638; 6.234; 15.262
90; 93.95; 90
2908.1Czerwinski, E. W.
Structure of cortivazol, 11β,17α,21-trihydroxy-6,16α-dimethyl-2'-phenyl-2'<i>H</i>-pregna-2,4,6-trieno[3,2-<i>c</i>]pyrazol-20-one 21-acetate
Acta Crystallographica Section C, 1991, 47, 2598-2603
2000145 CIF
Paper
C20 H22 Br2 N2 O4C 1 2 126.331; 9.472; 8.311
90; 92.5; 90
2070.9Mackay, M. F.; Sengupta, S.; Lacey, E.; Burden, P.
Structures of colchicine analogues. IV. An aminodibromoallocolchicine, C~20~H~22~Br~2~N~2~O~4~
Acta Crystallographica Section C, 1991, 47, 2615-2618
2000146 CIF
Paper
C18 H15 Cl O6P 1 21/c 14.301; 22.832; 16.531
90; 95.09; 90
1616.9Blaser, D.; Stoeckli-Evans, H.
Structure of pannarin: a natural depsidone
Acta Crystallographica Section C, 1991, 47, 2624-2626
2000147 CIF
Paper
C14 H19 N3 O7P 21 21 2111.219; 12.136; 12.324
90; 90; 90
1678Van Meervelt, L.
Structure of 3',5'-di-<i>O</i>-acetyl-<i>N</i>^4^-methoxycytosine
Acta Crystallographica Section C, 1991, 47, 2635-2637
2000148 CIF
Paper
I4 Te4P -18.021; 9.952; 7.995
103.05; 104.37; 90.08
601.2Cai, G.-L.; Liu, S.-X.; Huang, J.-L.
High-temperature synthesis and structure redetermination of Te~4~I~4~
Acta Crystallographica Section C, 1991, 47, 2642-2644
2000149 CIF
Paper
C Ag N OR -3 :R9.087; 9.087; 9.087
115.73; 115.73; 115.73
390.6Britton, D.
A redetermination of the trigonal silver fulminate structure
Acta Crystallographica Section C, 1991, 47, 2646-2647
2000150 CIF
Paper
C19 H15 N S SnP n a 218.966; 14.552; 13.085
90; 90; 90
1707.2Khoo, L. E.; Chen, X.-M.; Mak, T. C. W.
Structure of a new form of triphenyltin(IV) isothiocyanate
Acta Crystallographica Section C, 1991, 47, 2647-2649
2000151 CIF
Paper
C36 H62 Li2 O4P -110.188; 11.202; 9.22
99.92; 113.39; 68.31
897Kociok-Köhn, G.; Pickardt, J.; Schumann, H.
Structure of dimeric lithium 2,6-di-<i>tert</i>-butylphenoxide–diethyl ether (1/1)
Acta Crystallographica Section C, 1991, 47, 2649-2651
2000152 CIF
Paper
C20 H16 Cu F6 N2 O4P n n m8.379; 8.379; 15.832
90; 90; 90
1111.5Yu, K.-B.; Gou, S.-H.; You, X.-Z.; Xu, Z.
Structure of <i>catena</i>-poly{bis(1,1,1-trifluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')copper-μ-[(4,4'-bipyridine)-κ<i>N</i>:κ<i>N</i>']}
Acta Crystallographica Section C, 1991, 47, 2653-2654
2000153 CIF
Paper
C2 H17 N Ni O12 SP 1 21/c 15.726; 12.302; 17.01
90; 97.92; 90
1186.8Peterková, J.; Podlahová, J.; Loub, J.; Mička, Z.
Structure of pentaaqua(glycine)nickel(II) sulfate monohydrate
Acta Crystallographica Section C, 1991, 47, 2664-2666
2000154 CIF
Paper
C22 H26 N4 O2 P2 S4A 1 2/a 114.941; 7.05; 24.832
90; 90.48; 90
2615.6Wang, J.-L.; Sun, M.; Miao, F. M.; Chen, Q.-J.; Jin, S.-J.
Structure of 6,13-bis(butylthio)-5,12-dioxa-6,13-dithioxo-6a,7,13a,14-tetraaza-6,13-diphosphadibenz[<i>a</i>,<i>h</i>]anthracene
Acta Crystallographica Section C, 1991, 47, 2676-2677
2000155 CIF
Paper
C12 H16 N2 O4P 1 21 18.717; 6.927; 10.95
90; 113.01; 90
608.6Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.
Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines
Acta Crystallographica Section C, 1991, 47, 2678-2680
2000156 CIF
Paper
C17 H18 N2 O7P 21 21 216.633; 13.435; 19.246
90; 90; 90
1715.1Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.
Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines
Acta Crystallographica Section C, 1991, 47, 2678-2680
2000157 CIF
Paper
C8 H13 N O3C 1 2/c 127.89; 6.327; 22.04
90; 114.65; 90
3535Michael, J. P.; Maqutu, T. L.; Denner, L.
Structure of (±)-<i>exo</i>-6-methyl-<i>endo</i>-6-nitrobicyclo[2.2.1]heptan-<i>exo</i>-2-ol
Acta Crystallographica Section C, 1991, 47, 2680-2682
2000158 CIF
Paper
C29 H21 N OP 1 21/a 121.713; 13.524; 7.259
90; 95.2; 90
2122.8Mori, Y.; Maeda, K.
2,4,4,6-Tetraphenyl-3(4<i>H</i>)-pyridinone
Acta Crystallographica Section C, 1991, 47, 2682-2683
2000159 CIF
Paper
C26 H28 N2 O10P -19.524; 11.8187; 12.615
66.512; 83.321; 88.758
1293Ammon, H. L.; DeShong, P.; Simpson, D.
Structure of a lactone, 2,4,6-trideoxy-4,6-dimethyl-2-(oxopropyl)-7-<i>O</i>-(phenylmethyl)-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptono-1,5-lactone 3-(3,5-dinitrobenzoate)
Acta Crystallographica Section C, 1991, 47, 2693-2695
2000160 CIF
Paper
C28 H28 O2 P2P -15.826; 8.862; 12.517
100.29; 102.67; 104.22
592.44Fontes, M. R. M.; Oliva, G.; Zukerman-Schpector, J.; Queiroz, S. L.; Batista, A. A.
Structure of 1,4-bis(diphenylphosphinoyl)butane
Acta Crystallographica Section C, 1991, 47, 2699-2700
2000161 CIF
Paper
C27 H42 O5 SiP 1 21/n 19.389; 35.542; 8.899
90; 114.25; 90
2708Sakai, Y.; Kojima, Y.; Ohashi, Y.; Morihira, K.; Furukawa, T.; Horiguchi, Y.; Kuwajima, I.
Structure of <i>endo</i>-(5<i>R</i>*,6<i>R</i>*,11<i>R</i>*,12<i>S</i>*)-5,6,11,12-tetrahydro-4,11,12-trimethoxy-9,13,13-trimethyl-5-(triethylsiloxy)-6,10-methano-8(7<i>H</i>)benzocyclodecenone
Acta Crystallographica Section C, 1991, 47, 2700-2702
2000162 CIF
Paper
C14 H20 Cl2 O3P 21 21 217.0329; 9.983; 22.644
90; 90; 90
1589.8Zukerman-Schpector, J.; Castellano, E. E.; Brocksom, T. J.; Moreira, L. A.
Structure and absolute configuration of (3<i>S</i>)-[(1<i>S</i>,2<i>R</i>,4<i>S</i>)-2-acetoxy-4-methyl-1-cyclohexyl]-2,2-dichloro-3-methylcyclobutanone
Acta Crystallographica Section C, 1991, 47, 2706-2708
2000163 CIF
Paper
C6 H16 N O6 PI 1 2/a 115.108; 4.636; 28.819
90; 98.62; 90
1995.7Macíček, J.; Vladkova, T.
Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate
Acta Crystallographica Section C, 1991, 47, 2709-2711
2000164 CIF
Paper
C18 H16 O1.5 PC 1 2/c 119.423; 8.478; 18.327
90; 90.67; 90
3018Baures, P. W.
Monoclinic triphenylphosphine oxide hemihydrate
Acta Crystallographica Section C, 1991, 47, 2715-2716
2000165 CIF
Paper
C18 H16 O4P 21 21 217.6025; 13.948; 14.428
90; 90; 90
1529.9Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
Methyl 2-[(2,6-dimethoxyphenyl)ethynyl]benzoate
Acta Crystallographica Section C, 1991, 47, 2727-2729
2000166 CIF
Paper
C20 H20 O4P 1 21/n 17.887; 7.815; 27.478
90; 91.229; 90
1693.3Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
1,3-Bis(2,6-dimethoxyphenyl)butenyne
Acta Crystallographica Section C, 1991, 47, 2729-2731
2000167 CIF
Paper
C18 H16 O5P b c a11.4064; 13.098; 20.848
90; 90; 90
3114.7Evans, K. L.; Fronczek, F. R.; Gandour, R. D.
Methyl 2-(2,6-dimethoxyphenyl)benzofuran-4-carboxylate
Acta Crystallographica Section C, 1991, 47, 2731-2733
2000168 CIF
Paper
C16 H17.76 N O5.38C 1 2/c 116.23; 5.88; 29.88
90; 96.61; 90
2833Hua, D. H.; Saha, S.; Robinson, P. D.
Structure of methyl-8,9-methylenedioxy-2-oxo-1,2,3,4,4aα,5,6,10bβ-octahydrophenanthridine-5-carboxylate
Acta Crystallographica Section C, 1991, 47, 2737-2739
2000169 CIF
Paper
C18 H25 N O3P 21 21 215.959; 14.956; 19.737
90; 90; 90
1759Willis, Anthony C.; Beckwith, Athelstan L. J.; Tozer, Matthew J.
<i>trans</i>-3-Benzoyl-2-<i>tert</i>-butyl-4-isobutyl-1,3-oxazolidin-5-one
Acta Crystallographica Section C, 1991, 47, 2276-2277
2000170 CIF
Paper
B4 H9.4 Na2 O11.7R 3 211.097; 11.097; 21.114
90; 90; 120
2251.7Powell, D. R.; Gaines, D. F.; Zerella, P. J.; Smith, R. A.
Refinement of the structure of tincalconite
Acta Crystallographica Section C, 1991, 47, 2279-2282
2000171 CIF
Paper
Dy2 S3P n m a7.284; 3.881; 15.143
90; 90; 90
428.08Meetsma, A.; Wiegers, G. A.; Haange, R. J.; de Boer, J. L.; Boom, G.
Structure of two modifications of dysprosium sesquisulfide, Dy~2~S~3~
Acta Crystallographica Section C, 1991, 47, 2287-2291
2000172 CIF
Paper
C31 H38 Fe2 N6 O6P -113.601; 13.966; 12.341
100.1; 99.56; 115.19
2010.7O'Brien, R. J.; Richardson, J. F.; Buchanan, R. M.
Structure of di-μ-acetato-μ-oxo-bis[bis(2-pyridylmethyl)amine]diiron(III) diperchlorate 0.9-acetone solvate
Acta Crystallographica Section C, 1991, 47, 2307-2310
2000173 CIF
Paper
C21 H28 F12 N2 Ni O7P 1 21/n 112.125; 12.379; 20.438
90; 92.07; 90
3065.6Cervantes-Lee, F.; Porter, L. C.
Structure of (4-amino-2,2,6,6-tetramethylpiperidinyl-1-oxy)bis(hexafluoroacetylacetonato)(methanol)nickel(II) methanol solvate
Acta Crystallographica Section C, 1991, 47, 2312-2315

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