Crystallography Open Database

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1570226 CIFCo4 Fe2 H92 Na14 O114 W18P c c n21.063; 26.187; 17.8488
90; 90; 90
9845Soriano-López, Joaquín; Steuber, Friedrich W.; Mulahmetović, Muhamed; Besora, Maria; Clemente-Juan, Juan Modesto; O'Doherty, Mariah; Zhu, Nian-Yong; Hill, Craig L.; Coronado, Eugenio; Poblet, Josep M.; Schmitt, Wolfgang
Accelerating water oxidation - a mixed Co/Fe polyoxometalate with improved turnover characteristics.
Chemical science, 2023, 14, 13722-13733
1570727 CIFC14 H18 Br2 Ge I4 N2P c c n34.5436; 8.1885; 8.2783
90; 90; 90
2341.6Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.
Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites
Nature, 2023, 620, 328-335
1570730 CIFC14 H18 Cl2 Ge I4 N2P c c n34.1352; 8.1304; 8.3002
90; 90; 90
2303.58Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.
Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites
Nature, 2023, 620, 328-335
1571360 CIFC34.5 H38 Cl N9 O5P c c n14.2497; 36.7753; 14.495
90; 90; 90
7595.92Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang
<i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction.
Chemical science, 2024, 15, 3610-3615
1572143 CIFC50 H78 Cl2 Ge N6 O1.5 P2P c c n17.37; 18.92; 33.75
90; 90; 90
11092Kreimer, Lisa N.; Hadlington, Terrance J.
Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.
Chemical science, 2024, 15, 14154-14160
1572300 CIFC14 H14 O4P c c n15.2382; 11.8007; 14.4932
90; 90; 90
2606.19Li, Yu-Hao; Cui, Min; Gong, Yi; Xu, Tian-Yi; Tong, Fei
Size Reduction to Enhance Crystal-to-Liquid Phase Transition Induced by E-to-Z Photoisomerization Based on Molecular Crystals of Phenylbutadiene Ester
Materials, 2024, 17, 3664
1572728 CIFC18 H20 N4 O SP c c n18.512; 27.014; 7.4371
90; 90; 90
3719.2Hu, Didi; Bu, Yingcui; Liu, Mengxiao; Bai, Fuqing; Li, Jingjing; Li, Longchun; Cai, Huimei; Gan, Xiaoping
A simple fluorescent probe for selectively detecting Al<sup>3+</sup> and F<sup>-</sup> in living cells and growing tea plants.
Analytical methods : advancing methods and applications, 2024, 16, 7781-7788
1573345 CIF
Paper
C22 H50 Au I7 P2 S2P c c n15.0435; 15.2629; 17.7574
90; 90; 90
4077.23no bibliography
1573389 CIFC96 H216 Ag16 O24 P12 Pd S26P c c n26.454; 27.073; 23.35
90; 90; 90
16723Ni, Yu-Rong; Pillay, Michael N.; Chiu, Tzu-Hao; Liang, Hao; Kahlal, Samia; Chen, Jie-Ying; Chen, Yuan-Jang; Saillard, Jean-Yves; Liu, C. W.
Sulfide-mediated growth of NIR luminescent Pd/Ag atomically precise nanoclusters.
Nanoscale, 2025, 17, 1990-1996
1573476 CIFC12 H14 Cl2 N4 O PdP c c n10.9705; 23.0363; 14.0725
90; 90; 90
3556.4Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin
Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.
Catalysis science & technology, 2025, 15, 867-877
1573809 CIFC35 H37 O2 PP c c n18.8221; 34.2599; 8.6524
90; 90; 90
5579.4Dadgaryeganeh, Reza; LeBlanc, Jesse; Pradhan, Ekadashi; Miao, Dandan; Hussein, Amaar; Hunter, Howard N.; Zeng, Tao; Romero-Nieto, Carlos; Baumgartner, Thomas
From flat to twisted - multifunctional phosphacyclic nanocarbons based on Vat Orange 3.
Chemical science, 2025, 16, 3680-3692
1573863 CIFC42 H28 Fe N6 S2P c c n14.2537; 14.2713; 17.4543
90; 90; 90
3550.53Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Trzop, Elzbieta; Bataille, Thierry; Daro, Nathalie; Denux, Dominique; Guionneau, Philippe; Cailleau, Hervé; Chastanet, Guillaume; Le Guennic, Boris; Collet, Eric
Stabilizing low symmetry-based functions of materials at room temperature through isosymmetric electronic bistability.
Materials horizons, 2025, 12, 1463-1472
1574270 CIFC11 H15 N O4P c c n13.7547; 19.2286; 8.4326
90; 90; 90
2230.28Trevisan, Lucia; Bond, Andrew D.; Hunter, Christopher A.
Relationship between interaction geometry and cooperativity measured in H-bonded networks of hydroxyl groups
Chemical Science, 2025, 16, 7418-7423
1575519 CIFC22 H12 O8P c c n14.0831; 15.5331; 17.9383
90; 90; 90
3924.1Kohsaka, Yasuhiro; Yoshida, Taichi; Nishiie, Natsumi
Poly(bridged bicycle)s synthesized via cyclopolymerization of cyclic diacrylates
Polymer Chemistry, 2025, 16, 4009-4012
1576012 CIFC5 H9 Cl2 N2 O3 P ZnP c c n16.1039; 18.17; 7.4568
90; 90; 90
2181.9Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping
Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.
Chemical science, 2025, 16, 22021-22028
2000123 CIFC6 D4 I2P c c n17.092; 7.461; 6.154
90; 90; 90
784.779Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi
Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Journal of Solid State Chemistry, 1994, 110, 20-27
2000270 CIF
Paper
C8 H12 N2 O4P c c n39.365; 10.147; 9.937
90; 90; 90
3969.2Główka, M. L.
Structure of the 4-oxo-2-butenoic acid alkyl ester moiety. III. Structures of diethyl <i>N</i>,<i>N</i>'-(ethylenediamino)bis(4-oxo-2-butenoate) and propyl 4-oxo-4-ureido-2-butenoate
Acta Crystallographica Section C, 1991, 47, 1680-1683
2000315 CIF
Paper
C10 H10 Br2 Cu N8 OP c c n8.886; 15.025; 11.928
90; 90; 90
1592.5van Albada, G. A.; de Graaff, R. A. G.; Haasnoot, J. G.; Schild, J.; Reedijk, J.
Structure of aquadibromobis(1,2,4-triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>3)copper(II), a one-dimensional alternating copper(II)^{···^} oxygen array
Acta Crystallographica Section C, 1991, 47, 946-949
2000493 CIF
Paper
C32 H44 Br N3 O4P c c n12.288; 14.863; 18.479
90; 90; 90
3375Elding, M.; Larsson, A.-K.; Svensson, G.; Albertsson, J.; Eberson, L.
Structure of a `hypervalent' linear bis(phthalimidato)bromate(I) complex
Acta Crystallographica Section C, 1992, 48, 2078-2080
2001155 CIF
Paper
C14 H22 Cl3 Co N6 O0.5P c c n8.758; 26.749; 17.32
90; 90; 90
4057.5Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C, 1993, 49, 2102-2107
2002962 CIF
Paper
C H8 F6 N4 SiP c c n10.4232; 17.6675; 7.5363
90; 90; 90
1387.82Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.
Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate
Acta Crystallographica Section B, 1999, 55, 246-254
2003402 CIF
Paper
C18 H46 Cl2 N2 O9 Si2P c c n16.154; 16.483; 11.454
90; 90; 90
3050Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.
3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature
Acta Crystallographica Section C, 1995, 51, 763-766
2003403 CIF
Paper
C18 H46 Cl2 N2 O9 Si2P c c n15.676; 16.433; 11.316
90; 90; 90
2915Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.
3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature
Acta Crystallographica Section C, 1995, 51, 763-766
2003469 CIF
Paper
C17 H30 O Si2P c c n17.721; 19.714; 10.49
90; 90; 90
3664.7Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.
<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K
Acta Crystallographica Section C, 1995, 51, 891-892
2003495 CIF
Paper
C23 H29 N O3P c c n22.41; 20.76; 9.195
90; 90; 90
4278Chiaroni, A.; Riche, C.; Dumas, F.; Potin, D.; d'Angelo, J.
(±)-3-Methyl-1,1-diphenyl-2-butyl 3-Acetamidocrotonate and its Hydrogenation Product
Acta Crystallographica Section C, 1995, 51, 967-970
2003677 CIF
Paper
C18 H22 O2P c c n15.685; 25.364; 7.579
90; 90; 90
3015Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.
Ethyl Pentaspiro[2.0.2.0.0.2.0.2.0.1]tetradeca-14-ylideneacetate, C~18~H~22~O~2~
Acta Crystallographica Section C, 1995, 51, 1325-1327
2004907 CIF
Paper
C12 H16 N2 O SP c c n40.201; 7.59; 7.829
90; 90; 90
2388.8Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.
<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide
Acta Crystallographica Section C, 1996, 52, 1285-1288
2005614 CIF
Paper
C29 H22 O3P c c n24.856; 22.041; 7.921
90; 90; 90
4340Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.
<i>cis</i>-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone
Acta Crystallographica Section C, 1996, 52, 2936-2939
2005811 CIF
Paper
C4 H12 Cd O4 P2 S4P c c n9.282; 17.837; 8.488
90; 90; 90
1405.3Ito, T.; Otake, M.
Linear-Chain Structure of Bis(<i>O</i>,<i>O</i>'-dimethyldithiophosphato)cadmium(II)
Acta Crystallographica Section C, 1996, 52, 3024-3025
2006111 CIFC7 H9 N O3 SP c c n14.637; 16.46; 6.629
90; 90; 90
1597.1Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji
Structural Studies of Mitomycins. IX. Structure of 6-Demethyl-6-(phenylthiomethyl)mitomycin C
Acta Crystallographica Section C, 1997, 53, 610-612
2006826 CIF
HKL
Paper
C17 H24 O4P c c n18.9237; 18.9167; 8.7226
90; 90; 90
3122.46Bolte, Michael; Scholtyssik, Maria
A Tetragonal-Looking But Twinned Orthorhombic Structure
Acta Crystallographica Section C, 1997, 53, 1869-1871
2007196 CIF
HKL
Paper
C30 H66 Cu4 I6 K2 N2 O12P c c n12.1045; 21.6675; 21.1669
90; 90; 90
5551.5Mague, Joel T.
Luminescent Cu^I^ Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)
Acta Crystallographica Section C, 1998, 54, IUC9800010
2007675 CIF
Paper
C7 H16 N2 O9P c c n14.6727; 7.3876; 11.3348
90; 90; 90
1228.6Barnes, John C.; Longhurst, Rayne W.; Weakley, Timothy J.R.
Ethylenediammonium Bis(monohydrogen oxalate) Monohydrate and Two Modifications of Trimethylenediammonium Bis(monohydrogen oxalate) Monohydrate
Acta Crystallographica Section C, 1998, 54, 1347-1351
2007974 CIF
Paper
C6 H25 Mg N12 O10.5 SP c c n15.316; 19.798; 14.484
90; 90; 90
4391.9Todor Todorov; Rosica Petrova; Krasimir Kossev; Josef Macíček; Olyana Angelova
Magnesium Sulfate Hexaurea Hemihydrate
Acta Crystallographica Section C, 1998, 54, 1758-1760
2007996 CIF
HKL
Paper
C19 H22 OP c c n19.856; 21.45; 7.228
90; 90; 90
3078Rainer Sjöholm; Reijo Sillanpää
(3<i>RS</i>,4<i>RS</i>)-2-Methyl-3,4-diphenyl-5-hexen-3-ol
Acta Crystallographica Section C, 1998, 54, 1999-2001
2008102 CIF
Paper
C44 H60 Cl4 Cu4 N4 O14P c c n27.447; 20.311; 18.718
90; 90; 90
10435Turpeinen, Urho; Hämälänen, Reijo; Mutikainen, Ilpo
Aquatetrakis[(4-chlorobenzoato)(μ~3~-2-dimethylaminoethanolato)copper(II)] hydrate
Acta Crystallographica Section C, 1999, 55, 50-52
2009529 CIF
Paper
C17 H18 N4 O3P c c n10.689; 17.448; 8.976
90; 90; 90
1674Kolb, Vera M.; Robinson, Paul D.; Meyers, Cal Y.
Intermolecular hydrogen-bonded structure of bis(4-methoxyphenylmethine)carbonohydrazide
Acta Crystallographica Section C, 1994, 50, 417-419
2009894 CIF
Paper
C54 H54 Fe N4 O10 P2P c c n21.122; 20.705; 11.61
90; 90; 90
5077Toupet, L.; Legrand, N.; Bondon, A.; Simonneaux, G.
[<i>meso</i>-5,10,15,20-Tetrakis(4-methoxyphenyl)porphinato]bis(trimethyl phosphito)iron(II)
Acta Crystallographica Section C, 1994, 50, 1014-1016
2010326 CIF
Paper
C22 H20 N2 OP c c n29.464; 13.861; 8.515
90; 90; 90
3477.5Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo
Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O
Acta Crystallographica Section C, 1994, 50, 2096-2098
2010531 CIF
HKL
Paper
C23 H28 O2P c c n16.613; 10.557; 11.259
90; 90; 90
1974.6Ejsmont, Krzysztof; Kyzioł, Janusz; Nowakowska, Ewa; Zaleski, Jacek
4,4,4',4',7,7'-Hexamethyl-2,2'-spirobichroman
Acta Crystallographica Section C, 2000, 56, 93-94
2010539 CIF
HKL
Paper
C36 H26 O2 Se2P c c n17.4144; 10.6767; 15.2187
90; 90; 90
2829.6Senthil Kumar, V. S.; Nangia, Ashwini; 2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)
2,2'-Diselenobis(4,4-diphenylcyclohexa-2,5-dienone)
Acta Crystallographica Section C, 2000, 56, 123-124
2010907 CIF
HKL
Paper
C28 H40 O8P c c n16.9096; 18.351; 8.35
90; 90; 90
2591.1Ellis, Dianne D.; Spek, Anthony L.
1,3:16,18-Bis(xylyl)-30-crown-8
Acta Crystallographica Section C, 2000, 56, 596-597
2011317 CIF
HKL
Paper
C27 H37 NP c c n17.76; 32.336; 7.9664
90; 90; 90
4575Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rebanda, N. G. C. L.; Rocha Gonsalves, A. M. dA.
C—H···π interactions in 9-(<i>n</i>-dodecylaminomethyl)anthracene
Acta Crystallographica Section C, 2000, 56, 1136-1138
2011401 CIF
HKL
Paper
C22 H20 N2 O2P c c n9.124; 26.061; 7.328
90; 90; 90
1742.5Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.
A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine
Acta Crystallographica Section C, 2000, 56, 1277-1279
2012252 CIF
HKL
Paper
C16 H20 Cl4 N4 ReP c c n21.604; 7.268; 12.436
90; 90; 90
1952.7Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.
Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction
Acta Crystallographica Section C, 2001, 57, 1151-1153
2012253 CIF
HKL
Paper
C16 H20 Cl4 N4 ReP c c n21.604; 7.268; 12.436
90; 90; 90
1952.7Figgis, Brian N.; Sobolev, Alexandre N.; Schultz, Arthur J.; Reynolds, Philip A.
Tetrachlorobis(<i>N</i>^1^-phenylacetamidino-κ<i>N</i>^2^)rhenium(IV) at 11K by X-ray diffraction and at 20K by neutron diffraction
Acta Crystallographica Section C, 2001, 57, 1151-1153
2013006 CIF
HKL
Paper
C20 H36 O6P c c n9.7563; 28.5733; 7.2263
90; 90; 90
2014.47Kravtsov, Victor Ch.; Fonari, Marina S.; Zaworotko, Michael J.; Lipkowski, Janusz
A new polymorph of <i>cis</i>–<i>transoid</i>–<i>cis</i>-dicyclohexano-18-crown-6
Acta Crystallographica Section C, 2002, 58, o683-o684
2013243 CIF
HKL
Paper
Cl2 O3 Te Zn2P c c n10.4467; 15.4969; 7.6471
90; 90; 90
1238Johnsson, Mats; Törnroos, Karl W.
A synthetic zinc tellurium oxochloride, Zn~2~(TeO~3~)Cl~2~
Acta Crystallographica Section C, 2003, 59, i53-i54
2013493 CIF
HKL
Paper
C12 H20 Fe N6 O22P c c n25.248; 7.1136; 13.1993
90; 90; 90
2370.6Kazumasa Honda; Hiroshi Yamawaki; Makoto Matsukawa; Midori Goto; Takehiro Matsunaga; Katsutoshi Aoki; Masatake Yoshida; Shuzo Fujiwara
Hexaaquairon(II) dipicrate dihydrate
Acta Crystallographica Section C, 2003, 59, m319-m321
2013581 CIF
Paper
C13 H16 N4P c c n15.469; 20.644; 7.997
90; 90; 90
2553.8Munro, Orde Q.; Camp, Greville L.
Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer
Acta Crystallographica Section C, 2003, 59, o672-o675

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