Crystallography Open Database

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1560033 CIFC58.34 H113.47 O Si9 U2P -420.3708; 20.3708; 16.6734
90; 90; 90
6918.95Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
Chemical Science, 2021, 12, 2948-2954
1565078 CIFC38 H48 B4 O10P -411.2591; 11.2591; 7.1282
90; 90; 90
903.62Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof
Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton
CrystEngComm, 2021, 23, 8169-8182
1565679 CIFCl H57 Mo8 N12 O56.5 P9P -49.7089; 9.7089; 14.5943
90; 90; 90
1375.7Jiang, Zhongqi; Chen, Wenqiang; Jing, Qun; Lee, Ming-Hsien; Chen, Zhaohui
[NH4]12[(MoO2)2O(HPO4)2]4[PO4]Cl·0.5H2O: A mixed phosphomolybdate with nonlinear optical properties
Inorganica Chimica Acta, 2020, 499, 119198
1566653 CIFD2 OP -48.61942; 8.61942; 5.59301
90; 90; 90
415.529Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.
Experimental evidence for the existence of a second partially-ordered phase of ice VI
Nature Communications, 2021, 12, 1129
1566655 CIFD2 OP -48.834721; 8.834721; 5.75542
90; 90; 90
449.224Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T.
Structural characterization of ice XIX as the second polymorph related to ice VI
Nature Communications, 2021, 12, 1128
1569284 CIFC50 H38 N2 O6P -422.252; 22.252; 8.1795
90; 90; 90
4050.1Zhang, Xiao-Wen; Chen, Xu-Lin; Lu, Can-Zhong
High-Contrast Visualization Chemiluminescence Based on AIE-Active and Base-Sensitive Emitters.
Molecules (Basel, Switzerland), 2023, 28, 3976
2009351 CIF
Paper
C30 H32 N2 O4P -427.9391; 27.9391; 12.7565
90; 90; 90
9957.6Glidewell, Christopher; Ferguson, George; Gregson, Richard M.; Lough, Alan J.
2,2'-Biphenol‒1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O—H···O, O—H···N, N—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C, 1999, 55, 2136-2140
2011507 CIF
HKL
Paper
C12 H22 Hg Mn N6 O4 S4P -412.2436; 12.2436; 8.0708
90; 90; 90
1209.86Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Liu, Jiu Rong; Lu, Guang Tian
Polymeric diaquatetra-μ-thiocyanato-manganese(II)mercury(II) bis(<i>N</i>,<i>N</i>-dimethylacetamide) solvate
Acta Crystallographica Section C, 2000, 56, 1305-1307
2011509 CIF
HKL
Paper
C16 H14 OP -419.8403; 19.8403; 6.5068
90; 90; 90
2561.32Madhavi, N. N. Laxmi; Desiraju, Gautam R.; Bilton, Clair; Howard, Judith A.K.; Allen, Frank H.
Racemic 1,2-diphenylbut-3-yn-2-ol
Acta Crystallographica Section C, 2000, 56, 1359-1360
2011677 CIF
HKL
Paper
C21 H40 B7 Cl O Rh2 SP -418.1926; 18.1926; 8.4442
90; 90; 90
2794.78Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark
[μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-<i>arachno</i>-6,9,5-Rh~2~SB~7~H~7~]
Acta Crystallographica Section C, 2001, 57, 52-54
2013323 CIF
HKL
Paper
C44 H48 O12P -412.0173; 12.0173; 7.6972
90; 90; 90
1111.59Genorio, Boštjan; Kobe, Jože; Giester, Gerald; Leban, Ivan
Cone and 1,3-alternate conformers of 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene and 1,2,3,4-tetrakis(ethoxycarbonylmethoxy)calix[4]arene
Acta Crystallographica Section C, 2003, 59, o221-o224
2100540 CIF
Paper
Ca2 Co0.9 O7 Si2 Zn0.1P -423.518; 23.518; 5.0263
90; 90; 90
2780Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut
Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals
Acta Crystallographica, Section B, 2006, 62, 547-555
2103918 CIF
Paper
TaP -410.1815; 10.1815; 5.295
90; 90; 90
548.9Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir
The commensurate composite σ-structure of β-tantalum
Acta Crystallographica Section B, 2003, 59, 324-336
2105716 CIFTaP -410.1815; 10.1815; 5.295
90; 90; 90
548.9Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir
The commensurate composite σ-structure of β-tantalum
Acta Crystallographica Section B Structural Science, 2003, 59, 324
2106295 CIFC6 K4.125 N7 O2 VP -49.035; 9.035; 9.153
90; 90; 90
747.171Drew, M.G.B.; Pygall, C.F.
The crystal and molecular structure of potassium hexacyanonitrosovanadate(I)-0.5 potassium hydroxide-0.5 hydrate
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 2838-2842
2106608 CIFC H4 Na4 O9 P2P -48.489; 8.489; 6.468
90; 90; 90
466.104Uchtman, V.A.; Jandacek, R.J.
The crystal and molecular structure of carbonyldiphosphonate tetrasodium dihydrate
Acta Crystallographica B (24,1968-38,1982), 1976, 32, 488-492
2219252 CIF
HKL
Paper
C26 H17 F N4 O3P -417.7893; 17.7893; 14.332
90; 90; 90
4535Zeng, Guo-Ping; Yan, Shi-Rong
3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidine-7-carbonitrile
Acta Crystallographica Section E, 2008, 64, o1680
2224852 CIF
Paper
B0.29 Ga0.71 O4 PP -44.7343; 4.7343; 7.0896
90; 90; 90
158.903Huang, Ya-Xi; Liu, Jin-You; Mi, Jin-Xiao; Zhao, Jing-Tai
(Ga~0.71~B~0.29~)PO~4~ with a high-cristobalite-type structure refined from powder data
Acta Crystallographica Section E, 2010, 66, i4
2241170 CIF
HKL
C76 H60 Ag4 N4 O4 P4P -424.0846; 24.0846; 15.2037
90; 90; 90
8819.2Frenzel, Peter; Schaarschmidt, Dieter; Jakob, Alexander; Lang, Heinrich
Crystal structure of an unknown tetrahydrofuran solvate of tetrakis(<i>{μ</i>}~3~-cyanato-κ^3^<i>N</i>:<i>N</i>:<i>N</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)]
Acta Crystallographica Section E, 2015, 71, 1262-1265
3000288 On hold until 2021-02-22D10 O5P -48.834721; 8.834721; 5.75542
90; 90; 90
449.224Gasser, Tobias; Thoeny, Alexander; Fortes, Dominic; Loerting, Thomas
To be published in Nature Communications

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