Crystallography Open Database

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2106500 CIFC4 H6 Co K2 N4 O3 S4P 21 21 211.116; 12.981; 5.354
90; 90; 90
772.565Drew, M.G.B.; Othman, A.H.
Potassium tetrakis(isothiocyanato)cobaltate(II) trihydrate; a redetermination
Acta Crystallographica B (24,1968-38,1982), 1975, 31, 613-614
2106506 CIFC4 Bi N4 Rb S4P 21 21 211.24; 7.65; 6.52
90; 90; 90
560.629Galdecki, Z.; Glovka, M.L.; Golinski, B.
Crystal and molecular structure of rubidium tetrathiocyanato bismuthate(III)
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 2319-2321
2106811 CIFBa H2 O S4P 21 21 29.691; 8.017; 7.828
90; 90; 90
608.179Abrahams, S. C.; Bernstein, J. L.
Measurement of the Structure of Piezoelectric Ba S4 (H2 O)
Acta Crystallographica B (24,1968-38,1982), 1969, 25, 2365-2370
2107186 CIFC2 D10 N2 O5P 21 21 28.027; 10.298; 3.816
90; 90; 90
315.438Taylor, J.C.; Sabine, T.M.
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses
Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3340-3351
2107394 CIFIn La3 S6P 21 21 216.912; 13.946; 4.079
90; 90; 90
962.052Carre, D.; Guittard, M.; Adolphe, C.
Structure cristalline du sulfure de lanthane et d'indium La3 In S6
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 3499-3501
2107468 CIF
HKL
Paper
Ca2 Co O7 Si2P 21 21 223.52; 23.52; 5.03
90; 90; 90
2783Sazonov, Andrew; Hutanu, Vladimir; Meven, Martin; Roth, Georg; Kézsmárki, István; Murakawa, Hiroshi; Tokura, Yoshinori; Náfrádi, Bálint
The low-temperature crystal structure of the multiferroic melilite Ca~2~CoSi~2~O~7~
Acta Crystallographica Section B, 2016, 72, 126-132
2108049 CIF
HKL
Paper
C8 H11 N2 O7.5P 21 21 219.7808; 8.9659; 6.0713
90; 90; 90
1076.76Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Singh, Budhendra; Bdikin, Igor; Saini, Anupama; Gopalaiah, Kovuru; Kumar, Binay
Crystal structure of bis(L-asparaginium hydrogensquarate) monohydrate
Acta Crystallographica, Section B, 2017, 73, 347-359
2108293 CIF
HKL
C12 H22 Ca O12P 21 21 26.7573; 19.5874; 5.7344
90; 90; 90
758.99Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.
Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate
Acta Crystallographica Section B, 2018, 74
2108677 CIF
HKL
C46 H54.5 F2 N6 O17.25P 21 21 230.3989; 16.1024; 9.66944
90; 90; 90
4733.14Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.
Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties
Acta Crystallographica Section B, 2020, 76
2108680 CIF
HKL
Paper
C12 H13 N O8P 21 21 229.1612; 9.207; 4.7387
90; 90; 90
1272.28Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.
A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization
Acta Crystallographica Section B, 2020, 76
2108681 CIF
HKL
C12 H13 N O8P 21 21 229.0583; 9.15479; 4.70223
90; 90; 90
1250.9Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V.
A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization
Acta Crystallographica Section B, 2020, 76
2200057 CIF
HKL
Paper
C20 H23 N3 O8 SP 21 21 211.7629; 34.5731; 5.3477
90; 90; 90
2174.8Giraldés, José; McLaughlin, Mark L.; Fronczek, Frank R.
<i>N</i>^{ε^}-Benzyloxycarbonyl-<i>N</i>^{α^}-(2-nitrobenzenesulfonyl)-<small>L</small>-lysine
Acta Crystallographica Section E, 2001, 57, o48-o49
2200085 CIF
HKL
Paper
Eu2 O15 P4 SiP 21 21 27.056; 16.376; 5.585
90; 90; 90
645.34Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.
Dieuropium(III) silicodimonophosphatediphosphate
Acta Crystallographica Section E, 2001, 57, i12-i14
2200917 CIF
HKL
Paper
C12 H14 N4 Ni O6P 21 21 210.631; 13.283; 5.214
90; 90; 90
736.3Odoko, Mamiko; Adachi, Yukari; Okabe, Nobuo
Bis[2-hydroxy-3-(1<i>H</i>-imidazol-4-yl)propionato]nickel(II)
Acta Crystallographica Section E, 2002, 58, m7-m9
2200952 CIF
Paper
C52 H56 O2 P2P 21 21 213.1983; 19.015; 8.8486
90; 90; 90
2220.7Guo, Rongwei; Wu, Jing; Kowk, Waihim; Chen, Jian; Choi, Michael C. K.; Zhou, Zhongyuan
(<i>S</i>)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl
Acta Crystallographica Section E, 2002, 58, o270-o271
2201055 CIF
HKL
Paper
C62 H62 O17P 21 21 215.0595; 17.1977; 10.8465
90; 90; 90
2809.12Baddeley, Thomas C.; Clow, Simon M.; Cox, Philip J.; Davidson, Iain G.; Howie, R. Alan; Wardell, James L.
Ditrityl α,α-trehalose hexaacetate
Acta Crystallographica Section E, 2002, 58, o476-o477
2201209 CIF
HKL
Paper
C18 H20 N4P 21 21 215.23; 5.789; 9.415
90; 90; 90
830.1Xue-Jun Yuan; Yi-Zhi Li; Yong-Jiang Liu; Yun-Qi Tian; Xiao-Zeng You
(1<i>R</i>,2<i>R</i>)-Bis(4-pyridylmethyleneamino)cyclohexane
Acta Crystallographica Section E, 2002, 58, o640-o641
2201806 CIF
HKL
Paper
C64 H66 O6 P2P 21 21 212.1097; 24.311; 9.209
90; 90; 90
2711.1Jeunesse, Cathérine; Matt, Dominique; Jones, Peter G.; Thönnessen, Holger
5,17-Bis(diphenylphosphinoyl)-25,26,27,28-tetrapropoxycalix[4]arene
Acta Crystallographica Section E, 2003, 59, o428-o429
2201892 CIF
HKL
Paper
C15 H14 O4P 21 21 217.917; 18.126; 7.668
90; 90; 90
2490.3Xin-Dong Guo; Cheng-Zhu Liao; Lin Ma; Lian-Quan Gu
4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[<i>de</i>]chromene-7,8-dione
Acta Crystallographica Section E, 2003, 59, o558-o560
2202860 CIF
HKL
Paper
C28 H24 N2 O2P 21 21 210.1341; 16.168; 6.9249
90; 90; 90
1134.6Korendovych, Ivan V.; Rybak-Akimova, Elena V.
(–)-(1<i>S</i>,2<i>S</i>)-<i>N,N</i>'-Bis(salicylidene)-1,2-diphenyl-1,2-ethanediamine
Acta Crystallographica Section E, 2003, 59, o1498-o1500
2203265 CIF
HKL
Paper
C6 H10 O3 S2P 21 21 25.5919; 9.2507; 7.9146
90; 90; 90
409.41Brewer, A. David; Ferguson, George; Lough, Alan J.; Strunk, Richard J.
2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4-trioxide
Acta Crystallographica Section E, 2004, 60, o392-o394
2203551 CIF
Paper
C5 H9 N O3P 21 21 210.3879; 11.5449; 5.7426
90; 90; 90
688.69Görbitz, Carl Henrik; Sagstuen, Einar
<i>N</i>-Acetyl-<small>L</small>-alanine
Acta Crystallographica Section E, 2004, 60, o860-o862
2204481 CIF
HKL
Paper
C42 H36 O4 P2P 21 21 29.7007; 20.774; 8.9149
90; 90; 90
1796.6Jiang Cheng; Yan-Hui Sun; Yi Pan; Jian-Hua Xu
(<i>S</i>)-(–)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetramethyl-4,4'-bi-1,3-benzodioxole
Acta Crystallographica Section E, 2004, 60, o2133-o2134
2204595 CIF
HKL
Paper
C18 H24 Cl N S2P 21 21 216.396; 31.633; 7.1438
90; 90; 90
3705.2Cline, Daniel J.; Schnieder, Joel P.; Thorpe, Colin; Yap, Glenn P. A.
1-Benzylsulfanyl-2-(benzylsulfanylmethyl)propanaminium chloride
Acta Crystallographica Section E, 2004, 60, o1972-o1974
2204659 CIF
HKL
Paper
C20 H20 Cl2 N2 O2P 21 21 218.99; 5.829; 8.839
90; 90; 90
978.4Yang, Ming-Hua; Li, Yi-Zhi; Zhu, Cheng-Jian; Pan, Yi; Liu, Shan-Hui
(<i>R</i>,<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(5-chlorosalicylidene)-1,2-cyclohexanediamine
Acta Crystallographica Section E, 2004, 60, o2397-o2398
2204718 CIF
Paper
C10 H21 N O4P 21 21 29.833; 18.994; 6.713
90; 90; 90
1254Oku, Hiroyuki; Naito, Ryo; Yamada, Keiichi; Katakai, Ryoichi
A synthetic intermediate of enantiopure <i>N</i>-protected β-hydroxyvaline, (2<i>R</i>)-2-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-3-methylbutane-1,3-diol
Acta Crystallographica Section E, 2004, 60, o2462-o2464
2204868 CIF
HKL
Paper
C13 H17 Br OP 21 21 213.269; 16.085; 5.7278
90; 90; 90
1222.5Hartung, Jens; Svoboda, Ingrid; Schmidt, Philipp; Pfeiffer, Matthias
<i>cis</i>-(3<i>R</i>,5<i>R</i>)-3-Bromo-2,2-dimethyl-5-phenyltetrahydropyran
Acta Crystallographica Section E, 2005, 61, o15-o16
2206425 CIF
HKL
Paper
C20 H34 O14P 21 21 219.06; 6.6887; 9.3752
90; 90; 90
1195.2Ying-Qian Xu; Bing Zhao; Li-Xin Yang
(1<i>S</i>,3a<i>R</i>,4<i>S</i>,6a<i>R</i>)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3-methylphenyl)perhydrofuro[3,4-<i>c</i>]furan-3a,6a-diol hexahydrate
Acta Crystallographica Section E, 2005, 61, o2559-o2560
2206642 CIF
HKL
Paper
C16 H18 N4 O4P 21 21 27.8212; 46.154; 6.7885
90; 90; 90
2450.5Liu, Wei; Ma, Yuan; Wang, Ru-Ji; Yin, Ying-Wu; Zhao, Yu-Fen
<i>N</i>,<i>N</i>'-Diethyl-4,4'-dinitrohydrazobenzene
Acta Crystallographica Section E, 2005, 61, o3069-o3070
2206903 CIF
Paper
C19 H20 O3P 21 21 214.458; 21.356; 9.874
90; 90; 90
3048.7Zhang, Lei; Wang, Jingkang; Qu, Yi
1,6,6-Trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione
Acta Crystallographica Section E, 2005, 61, o3127-o3128
2207402 CIF
HKL
Paper
C20 H30 Co N8 O8 S2P 21 21 213.1701; 10.4625; 10.6961
90; 90; 90
1473.84Li-Ya Wang; Jiu-Li Chang; Kai Jiang; Lu-Fang Ma; Yu-Fang Wang
Bis[1-hydroxy-4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-4,5-dihydro-1<i>H</i>-imidazole]nitratocobalt(II) nitrate
Acta Crystallographica Section E, 2005, 61, m2230-m2231
2207676 CIF
HKL
Paper
C21 H24 O6P 21 21 28.7778; 24.029; 4.7259
90; 90; 90
996.8Han, Jian-Rong; Zhen, Xiao-Li
3-Ethoxy-4-[3-(2-ethoxy-4-formylphenoxy)propoxy]benzaldehyde
Acta Crystallographica Section E, 2005, 61, o4069-o4070
2208164 CIF
HKL
Paper
C30 H39 N5 O10P 21 21 215.371; 23.889; 8.94
90; 90; 90
3282.7Makowski, Maciej; Lisowski, Marek; Maciąg, Anna; Lis, Tadeusz
<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>Z</i>)-α,β-dehydrophenylalanylglycyl-(<i>E</i>)-α,β-dehydrophenylalanyl]glycine methyl ester dihydrate
Acta Crystallographica Section E, 2006, 62, o807-o810
2208595 CIF
HKL
Paper
C31 H38 N2 O11P 21 21 212.456; 29.3559; 8.002
90; 90; 90
2926Graham Smith; Urs D. Wermuth; David J. Young; Jonathan M. White
2,3-Dimethoxy-10-oxostrychnidinium 3-carboxybenzoate trihydrate: the 1:1 proton-transfer compound of brucine with isophthalic acid
Acta Crystallographica Section E, 2006, 62, o1553-o1555
2208651 CIF
HKL
Paper
C36 H40 N2 O2P 21 21 210.4213; 22.729; 6.3769
90; 90; 90
1510.5Korendovych, Ivan V.; Makhlynets, Olga V.; Buzak, Sara K.; Flook, Margaret; Kryatov, Sergey V.; Haas, Terry E.; Rybak-Akimova, Elena V.
(1<i>R</i>,2<i>R</i>)-(+)-4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-diphenylethane-1,2-diylbis(nitrilomethylidyne)]diphenol
Acta Crystallographica Section E, 2006, 62, o1240-o1242
2208750 CIF
Paper
C12 H17 Br2 N O5P 21 21 212.609; 13.235; 9.689
90; 90; 90
1616.9Andreas Fischer
(<i>R</i>)-1-Phenylethanaminium–(<i>S</i>,<i>S</i>)-2,3-dibromosuccinate–(<i>R</i>,<i>R</i>)-2,3-dibromosuccinic acid–water (2/1/1/2)
Acta Crystallographica Section E, 2006, 62, o1281-o1283
2208769 CIF
HKL
Paper
C12 H17 Cl2 N O2P 21 21 28.718; 20.264; 7.882
90; 90; 90
1392.4Ai-Xi Hu; Gao Cao; Xin-Rong Xiao; Hong-Yan Wu
(2<i>S</i>,3S,5<i>R</i>)-2-(3-Chlorophenyl)-2-hydroxy-3,5-dimethyl-2-morpholinium chloride
Acta Crystallographica Section E, 2006, 62, o1584-o1585
2208852 CIF
HKL
Paper
C7 H8 N4P 21 21 28.0357; 10.545; 4.3613
90; 90; 90
369.56Li, Jian
Bis(imidazol-1-yl)methane
Acta Crystallographica Section E, 2006, 62, o1798-o1799
2208881 CIF
HKL
Paper
C17 H12 Cl2 OP 21 21 224.509; 4.9846; 5.8103
90; 90; 90
709.83Butcher, Ray J.; Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Vijaya Raj, K. K.
1,5-Bis(4-chlorophenyl)penta-1,4-dien-3-one
Acta Crystallographica Section E, 2006, 62, o1973-o1975
2209447 CIF
HKL
Paper
C12 H10 N2P 21 21 220.2212; 18.0889; 5.1003
90; 90; 90
1865.58Akkharawit Kanjana-opas; Somrak Panphon; Hoong-Kun Fun; Suchada Chantrapromma
4-Methyl-3<i>H</i>-pyrrolo[2,3-<i>c</i>]quinoline
Acta Crystallographica Section E, 2006, 62, o2728-o2730
2211684 CIF
HKL
Paper
C84 H54 Cd3 N6 O18P 21 21 216.082; 23.602; 9.71
90; 90; 90
3685.6Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng
Bis(4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')cadmium(II)‒bis(<i>{μ</i>}~2~-4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-<i>{κ</i>}^2^<i>N</i>,<i>N</i>')cadmium(II)] (1/1)
Acta Crystallographica Section E, 2006, 62, m3432-m3434
2211983 CIF
HKL
Paper
C30 H35 O10.5P 21 21 212.818; 27.883; 7.921
90; 90; 90
2831Ying Xiong; Wen-Yuan Gao; Ke-Zhong Deng; Hai-Xia Chen; Shu-Jun Wang
5,6-Dihydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-<i>f</i>][1,3]benzodioxol-5-yl benzoate sesquihydrate
Acta Crystallographica Section E, 2007, 63, o333-o334
2212691 CIF
HKL
Paper
C8 H32 Cl7 N4 WP 21 21 210.297; 13.107; 8.7121
90; 90; 90
1175.8Wei Xu; Jian-Li Lin
Tetrakis(dimethylammonium) hexachlorotungstate(III) chloride
Acta Crystallographica Section E, 2007, 63, m767-m769
2212938 CIF
HKL
Paper
C12 H19 Cl N6 O10 VP 21 21 210.5044; 25.4158; 7.2779
90; 90; 90
1943.04Mohammad K. Islam; Chieko Tsuboya; Yoshitaro Miyashita; Ken-ichi Okamoto; Kan Kanamori
(<small>L</small>-Histidinato-κ^3^<i>N</i>,<i>N</i>,<i>O</i>)(<small>L</small>-histidine-κ^2^<i>N</i>,<i>O</i>)oxidovanadium(IV) perchlorate monohydrate
Acta Crystallographica Section E, 2007, 63, m1052-m1054
2213979 CIF
HKL
Paper
C21 H16 N2 OP 21 21 211.284; 14.918; 4.5942
90; 90; 90
773.4Slawin, Alexandra M. Z.; Lawson, Jeffrey; Storey, John M. D.; Harrison, William T. A.
<i>N</i>,<i>N</i>'-Di-1-naphthylurea revisited
Acta Crystallographica Section E, 2007, 63, o2925-o2927
2214393 CIF
HKL
Paper
C18 H24 N2 S2 ZnP 21 21 210.1731; 14.1431; 6.4862
90; 90; 90
933.23Chrzanowski, Lars S. von; Lutz, Martin; Spek, Anthony L.; Kleijn, Henk; van Koten, Gerard
Bis{2-[(dimethylamino-κ<i>N</i>)methyl]benzenethiolato-κ<i>S</i>}zinc(II)
Acta Crystallographica Section E, 2007, 63, m1847-m1847
2214443 CIF
HKL
Paper
C15 H15 Cl2 N O3 S3P 21 21 213.5112; 18.0213; 7.5559
90; 90; 90
1839.78Ibis, Cemil; Deniz, N.Gulsah
1,1-Dichloro-3-(6,1,3-oxadithiaoctocan-2-ylidene)-3-nitro-2-(4-methylphenylsulfanyl)propene
Acta Crystallographica Section E, 2007, 63, o3058-o3058
2214794 CIF
HKL
Paper
C30 H36 O8P 21 21 212.189; 29.983; 7.3372
90; 90; 90
2681.5Wisanu Maneerat; Hoong-Kun Fun; Taweesak Buatip; Surat Laphookhieo; Suchada Chantrapromma
6α-Acetoxyepoxyazadiradione
Acta Crystallographica Section E, 2007, 63, o3583-o3584
2214839 CIF
HKL
Paper
C14 H18 N10 NiP 21 21 214.4376; 15.2861; 8.0888
90; 90; 90
1785.2Potočňák, Ivan; Lancz, Gábor; R°užička, Aleš; Jäger, Lothar
<i>cis</i>-Bis(tricyanomethanido-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]nickel(II)
Acta Crystallographica Section E, 2007, 63, m2072-m2073
2214917 CIF
HKL
Paper
C15 H26 O2P 21 21 29.8941; 15.7201; 9.0288
90; 90; 90
1404.31Wei-Wei Dong; Kai-Bei Yu; Jian-Min Yue; Run-Hua Lu
6β,10β-Cadinene-6,10-diol: a sesquiterpenoid from the rhizome of <i>Acorus calamus</i> L.
Acta Crystallographica Section E, 2007, 63, o3579-o3579

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