Crystallography Open Database

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1001072 CIFCa0.3333 Nb0.6667 O3 SrP -48.19; 8.19; 8.209
90; 90; 90		550.6Hervieu, M; Raveau, B
Les Perovskites (Ca~1-x~ Sr~x~) (Ca~.3333~ Nb~.6667~) O~3~
Journal of Solid State Chemistry, 1979, 28, 209-222
1010013 CIFCl3 H4 Hg NP -44.19; 4.19; 7.94
90; 90; 90		139.4Harmsen, E. J.
The crystal structure of NH~4~HgCl~3~
Zeitschrift für Kristallographie - Crystalline Materials, 1939, 100, 208-211
1010092 CIFH4 N2 O3P -45.74; 5.74; 5
90; 90; 90		164.7Hendricks, S B; Posnjak, E; Kracek, F C
Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature
Journal of the American Chemical Society, 1932, 54, 2766-2786
1508548 CIFC57 H100 N4 O10.25 Zn2P -432.15167; 32.15167; 12.28484
90; 90; 90		12699.2Buchard, Antoine; Jutz, Fabian; Kember, Michael R.; White, Andrew J. P.; Rzepa, Henry S.; Williams, Charlotte K.
Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst
Macromolecules, 2012, 45, 6781
1510369 CIFAu2 Ca F12P -45.019; 5.019; 8.428
90; 90; 90		212.304Val'kovskii, M.D.; Popov, A.I.; Sokolov, V.B.; Chumaevskii, N.A.; Kiselev, Yu.M.; Spirin, S.N.
Structure of fluoroaurates(V) earth alkali elements
Zhurnal Neorganicheskoi Khimii, 1990, 35, 1970-1977
1511273 CIFB O20 P5 Pb6P -46.951; 6.951; 9.73
90; 90; 90		470.119Belokoneva, E.L.; Dimitrova, O.V.; Stefanovich, S.Yu.; Ruchkina, E.A.
Synthesis and crystal structure of new lead borophosphate Pb6 (P O4) (B (P O4)4)
Zhurnal Neorganicheskoi Khimii, 2001, 46, 226-232
1511944 CIFC213 H24 O12P -423.187; 23.187; 26.056
90; 90; 90		14009Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro
Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts
Organic Letters, 2013, 15, 2164
1512260 CIFC16 H84 Br N O24P -423.492; 23.492; 38.021
90; 90; 90		20983Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu
Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.
The journal of physical chemistry. B, 2013, 117, 10677-10685
1520618 CIFC56 H100 F N O4P -415.6111; 15.6111; 10.505
90; 90; 90		2560.14Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique
Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity
Chem. Sci., 2015, 6, 5293
1521529 CIFCu2 Fe S4 SnP -45.414; 5.414; 5.414
90; 90; 90		158.692Llanos, J.; Tapia, M.; Mujica, C.; Oro-Sole, J.; Gomez-Romero, P.
A new structural modification of stannite
Boletin de la Sociedad Chilena de Quimica, 2000, 45, 605-609
1526277 CIFAs3 Cs3 H8 O17 Zn4P -411.3099; 11.3099; 7.9216
90; 90; 90		1013.28Harrison, W.T.A.; Phillips, M.L.F.; Bu Xianhui
Synthesis and single-crystal structure of Cs3 Zn4 O (As O4)3 * 4(H2 O), an open-framework zinc arsenate
Microporous and Mesoporous Materials, 2000, 39, 359-365
1528802 CIFC4 H16 Co N4 Na2 O8 S4P -419; 19; 5.47
90; 90; 90		1974.67Preisinger, A.
Ueber die Kristallstruktur des Julienite, Na2 Co (N C S)4 (H2 O)8
Mineralogische und Petrographische Mitteilungen, 1953, 3, 376-380
1532350 CIFBi0.78 Cd0.22 O3.72 VP -45.125; 5.125; 11.672
90; 90; 90		306.572Uma, S.; Bliesner, R.; Sleight, A.W.
Oxygen ion conductivity in new oxygen deficient phases with scheelite related structures
Solid State Sciences, 2002, 4, 329-333
1532353 CIFBi0.7225 Ca0.2775 O3.92 VP -45.121; 5.121; 11.701
90; 90; 90		306.855Uma, S.; Bliesner, R.; Sleight, A.W.
Oxygen ion conductivity in new oxygen deficient phases with scheelite related structures
Solid State Sciences, 2002, 4, 329-333
1535310 CIFCl3 K3 La4 Mo24 O107 P2P -420.2354; 20.2354; 12.3785
90; 90; 90		5068.64Mialane, P.; Dolbecq, A.; Secheresse, F.; Lisnard, L.; Marrot, J.; Mallard, A.
[eta-P Mo12 O36 ( OH)4 {La (H2 O)4}4]5+: The First eta-P Mo12 O40 Keggin Ion and Its Association with the Two-Electron-Reduced alpha-P Mo12 O40 Isomer
Angew. Chem. Int. ed., 2002, 41, 2398-2401
1535842 CIFD2 K NP -44.282; 4.282; 6.182
90; 90; 90		113.35Nagib, M.; von Osten, E.; Jacobs, H.
Neutronenbeugung an drei Modifikationen des Kaliumdeuteroamids K N D2
Atomkernenergie, 1977, 29, 41-47
1543413 CIFC45 H32 Cu1.88 I1.88 N4 S3P -426.7176; 26.7176; 7.1942
90; 90; 90		5135.4Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki
Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks
IUCrJ, 2016, 3
1545477 CIFC37 H28 Ag2 N8 O8 Re2P -415.4983; 15.4983; 7.6894
90; 90; 90		1847Sheng, Daopeng; Zhu, Lin; Xu, Chao; Xiao, Chengliang; Wang, Yanlong; Wang, Yaxing; Chen, Lanhua; Diwu, Juan; Chen, Jing; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
Efficient and Selective Uptake of TcO4(-) by a Cationic Metal-Organic Framework Material with Open Ag(+) Sites.
Environmental science & technology, 2017
1551668 CIFC24 H20 Cl2 Fe N2 O2 PP -418.181; 18.181; 7.4559
90; 90; 90		2464.5AKUTSU, Hiroki; YAMADA, Jun-ichi; NAKATSUJI, Shin'ichi; TURNER, Scott S.
Crystal Structure of PPh4[Fe(NO)2Cl2]
X-ray Structure Analysis Online, 2014, 30, 49
1554389 CIFC68 H96 B2 Mg2 N4 O6P -413.2295; 13.2295; 19.2267
90; 90; 90		3365.1Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
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
4001380 CIFC40 H24 Cl N8 Na6 O46 S8 SmP -412.238; 12.238; 12.398
90; 90; 90		1856.8Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.
Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity
Chemistry of Materials, 2007, 19, 4467
4001381 CIFC40 H24 Cl Eu N8 Na6 O48 S8P -412.265; 12.265; 12.421
90; 90; 90		1868.5Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.
Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity
Chemistry of Materials, 2007, 19, 4467
4001382 CIFC40 H24 Cl Gd N8 Na6 O48 S8P -412.234; 12.234; 12.373
90; 90; 90		1851.9Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.
Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity
Chemistry of Materials, 2007, 19, 4467
4001383 CIFC40 H24 Cl N8 Na6 O46 S8 TbP -412.245; 12.245; 12.407
90; 90; 90		1860.3Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.
Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity
Chemistry of Materials, 2007, 19, 4467
4001384 CIFC40 H24 Cl Dy N8 Na6 O47 S8P -412.213; 12.213; 12.345
90; 90; 90		1841.3Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.
Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity
Chemistry of Materials, 2007, 19, 4467
4002250 CIFCl2 Cu2 O5 Te2P -47.6209; 7.6209; 6.32
90; 90; 90		367.054Johnsson, M.; Tornroos, K.W.; Mila, F.; Millet, P.
Tetrahedral clusters of copper(II): crystal structures and magnetic properties of Cu2 Te2 O5 X2 (X = Cl, Br)
Chemistry of Materials (1,1989-), 2000, 12, 2853-2857
4002251 CIFBr2 Cu2 O5 Te2P -47.8355; 7.8355; 6.3785
90; 90; 90		391.608Johnsson, M.; Tornroos, K.W.; Mila, F.; Millet, P.
Tetrahedral clusters of copper(II): crystal structures and magnetic properties of Cu2 Te2 O5 X2 (X = Cl, Br)
Chemistry of Materials (1,1989-), 2000, 12, 2853-2857
4072238 CIFC22 H33 Cl TiP -415.3776; 15.3776; 8.3838
90; 90; 90		1982.52Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.
Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene
Organometallics, 2008, 27, 5532
4076545 CIFC41 H98 Cl4 Ge4 N8 P2 Si4P -417.6548; 17.6548; 10.5683
90; 90; 90		3294.1West, Joseph K.; Stahl, Lothar
Insertions of Cyclic and Acyclic Germanium and Tin Heterocarbenoids into Phosphorus‒Chlorine Bonds: Syntheses, Structures, and Reactivities
Organometallics, 2012, 31, 2042
4085273 CIFC24 H23 Cl2 N2 SbP -416.7321; 16.7321; 7.963
90; 90; 90		2229.3Vránová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor
Reactivity of N,C,N-Chelated Antimony(III) and Bismuth(III) Chlorides with Lithium Reagents: Addition vs Substitution
Organometallics, 2015, 34, 534
4087518 CIFC40 H52 UP -413.7754; 13.7754; 9.2246
90; 90; 90		1750.48Johnson, Sara A.; Kiernicki, John J.; Fanwick, Phillip E.; Bart, Suzanne C.
New Benzylpotassium Reagents and Their Utility for the Synthesis of Homoleptic Uranium(IV) Benzyl Derivatives
Organometallics, 2015, 34, 2889
4100504 CIFC52 H60 Co N12 O12 SP -418; 18; 8.0441
90; 90; 90		2606.1Journal of the American Chemical Society, 2005
4100505 CIFC52 H60 Co N12 O12 SP -418.07; 18.07; 8.0756
90; 90; 90		2636.9Journal of the American Chemical Society, 2005
4100512 CIFC52 H60 Co N12 O12 SP -418.084; 18.084; 8.054
90; 90; 90		2633.9Journal of the American Chemical Society, 2005
4112846 CIFC6 H4 N3 S2P -415.547; 15.547; 5.9581
90; 90; 90		1440.1Nigel G. R. Hearns; Kathryn E. Preuss; John F. Richardson; Sofi Bin-Salamon
Design and Synthesis of a 4-(2'-Pyridyl)-1,2,3,5-Dithiadiazolyl Cobalt Complex
Journal of the American Chemical Society, 2004, 126, 9942-9943
4118794 CIFC52 H44 SiP -416.6; 16.6; 7.1395
90; 90; 90		1967.4Ulrich Stoeck; Georg Nickerl; Ulrich Burkhardt; Irena Senkovska; Stefan Kaskel
Modular Construction of a Porous Organometallic Network Based on Rhodium Olefin Complexation
Journal of the American Chemical Society, 2012, 134, 17335-17337
4120565 CIFC64 H102 Cl6 Co2 Li N3 OP -425.322; 25.322; 10.553
90; 90; 90		6766.6Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot
Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.
Journal of the American Chemical Society, 2014, 136, 1770-1773
4121441 CIFC208 H168 B8 Cu8 F32 N32P -435.492; 35.492; 20.593
90; 90; 90		25941Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.
Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.
Journal of the American Chemical Society, 2014, 136, 3972-3980
4123251 CIFC35 H45 Cu N3 O3P -420.0854; 20.0854; 8.3655
90; 90; 90		3374.8Dhar, Debanjan; Tolman, William B.
Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex.
Journal of the American Chemical Society, 2015, 137, 1322-1329
4128761 CIFC27 H36 Fe N2P -413.877; 13.877; 12.2284
90; 90; 90		2354.84Kennedy, C. Rose; Zhong, Hongyu; Macaulay, Rachel L.; Chirik, Paul J.
Regio- and Diastereoselective Iron-Catalyzed [4+4]-Cycloaddition of 1,3-Dienes.
Journal of the American Chemical Society, 2019, 141, 8557-8573
4132834 CIFC16 H10 Br2P -417.425; 17.425; 4.1752
90; 90; 90		1267.7Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro
Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.
Journal of the American Chemical Society, 2018, 140, 10054-10059
4135146 CIFC62 H52 N4P -413.6468; 13.6468; 7.0913
90; 90; 90		1320.65Wen, Qiang; Tenenholtz, Shira; Shimon, Linda J. W.; Bar-Elli, Omri; Beck, Lior; Houben, Lothar; Cohen, Sidney R.; Feldman, Yishay; Oron, Dan; Lahav, Michal; van der Boom, Milko E.
Chiral and SHG-Active Metal-Organic Frameworks Formed in Solution and on Surfaces: Uniformity, Morphology Control, Oriented Growth, and Post-assembly Functionalization.
Journal of the American Chemical Society, 2020
4305725 CIFC20 H30 Cu Mo4 N8 O14P -414.355; 14.355; 16.474
90; 90; 90		3394.7Ya-Qian Lan; Shun-Li Li; Xin-Long Wang; Kui-Zhan Shao; Dong-Ying Du; Hong-Ying Zang; Zhong-Min Su
Self-Assembly of Polyoxometalate-Based Metal Organic Frameworks Based on Octamolybdates and Copper-Organic Units: from CuII, CuI,II to CuI via Changing Organic Amine
Inorganic Chemistry, 2008, 47, 8179-8187
4308458 CIFC72 H54 Cl2 Mn4 N12 O14P -416.5007; 16.5007; 14.9099
90; 90; 90		4059.56En-Qing Gao; Shi-Qiang Bai; Zheng He; Chun-Hua Yan
Tetramanganese(II) Cluster with Centered Trigonal Topology: Structure and Magnetic Properties
Inorganic Chemistry, 2005, 44, 677-682
4314055 CIFC86 H82 K4 N6 O4P -428.227; 28.227; 9.7046
90; 90; 90		7732.3Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu
Structural Variations of Potassium Aryloxides
Inorganic Chemistry, 2003, 42, 5357-5366
4314547 CIFC100 H223 F78 Mn12 N22 O51 P13P -423.4751; 23.4751; 18.5932
90; 90; 90		10246.3Juan Modesto Clemente-Juan; Eugenio Coronado; Alicia Forment-Aliaga; Alejandro Gaita-Ariño; Carlos Giménez-Saiz; Francisco M. Romero; Wolfgang Wernsdorfer; R. Biagi; V. Corradini
Electronic and Magnetic Study of Polycationic Mn12 Single-Molecule Magnets with a Ground Spin State S = 11
Inorganic Chemistry, 2010, 49, 386-396
4319489 CIFC88.67 H145 Ag4 N16.33 Na4 O24 S8P -427.039; 27.039; 15.358
90; 90; 90		11228Craig C. McLauchlan; James A. Ibers
Synthesis and Characterization of the Silver Maleonitrilediselenolates and Silver Maleonitriledithiolates [K([2.2.2]-cryptand)]4[Ag4(Se2C2(CN)2)4], [Na([2.2.2]-cryptand)]4[Ag4(S2C2(CN)2)4].0.33MeCN, [NBu4]4[Ag4(S2C2(CN)2)4], [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)2].2MeCN, and [Na([2.2.2]-cryptand)]3[Ag(S2C2(CN)2)2]
Inorganic Chemistry, 2001, 40, 1809-1815
4326212 CIFB8 Cd12 Ge17 O58P -414.928; 14.928; 4.6975
90; 90; 90		1046.8Xiang Xu; Chun-Li Hu; Fan Kong; Jian-Han Zhang; Jiang-Gao Mao
Ca10Ge16B6O51 and Cd12Ge17B8O58: Two Types of New 3D Frameworks Based on BO4 Tetrahedra and 1D [Ge4O12]n Chains
Inorganic Chemistry, 2011, 50, 8861-8868
4331567 CIFC49 H104.5 B Cl12 N12.5 O0 S0 Zr6P -423.7023; 23.7023; 13.7979
90; 90; 90		7751.6Beauvais, Laurance G.; Long, Jeffrey R.
Synthesis and Characterization of Prussian Blue Analogues Incorporating the Edge-Bridged Octahedral [Zr6BCl12]2+Cluster Core
Inorganic Chemistry, 2006, 45, 236-243
4337279 CIFC60 H48 Cu4 N8 O16P -416.8827; 16.8827; 12.6346
90; 90; 90		3601.18Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure
Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.
Inorganic chemistry, 2014, 53, 2181-2187
4341527 CIFC64 H48 Cu3 F18 N12 P3P -415.2881; 15.2881; 14.1017
90; 90; 90		3295.9Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi
Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.
Inorganic chemistry, 2014, 53, 10485-10497
4347176 CIFC58 H82 Cs2 Fe2 N6P -416.4609; 16.4609; 10.6149
90; 90; 90		2876.2McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.
Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.
Inorganic chemistry, 2016, 55, 2960-2968
4501543 CIFC12 H16 Ca Co2 N4 O16P -48.898; 8.898; 7.679
90; 90; 90		608Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars
Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
Crystal Growth & Design, 2010, 10, 1971
4501545 CIFC12 H16 Cd Co2 N4 O16P -48.918; 8.918; 7.69
90; 90; 90		611.6Borel, Cédric; Davies, Kate; Handa, Paul; Hedberg, Gustav; Oliver, Clive L.; Bourne, Susan A.; Håkansson, Mikael; Langer, Vratislav; Öhrström, Lars
Family of Isoreticular Chiral Metal−Organic Frameworks Based on Coordination and Hydrogen Bonds in [M[Co(ethylenediamine)(oxalato)2]2]
Crystal Growth & Design, 2010, 10, 1971
4502356 CIFC22 H28 Cu3 N5 S2P -410.0509; 10.0509; 12.312
90; 90; 90		1243.77Chen, Shan-Ci; Yu, Rong-Min; Zhao, Zhen-Guo; Chen, Shu-Mei; Zhang, Qi-Sheng; Wu, Xiao-Yuan; Wang, Fei; Lu, Can-Zhong
A Series of Polynuclear Complexes of d10Metals With Interesting Luminescent Properties
Crystal Growth & Design, 2010, 10, 1155
4505055 CIFC12 H16 Ag B F4 N4 O2P -49.006; 9.006; 5.6627
90; 90; 90		459.3Zhang, Jian; Li, Zhao-Ji; Kang, Yao; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen
Syntheses and Characterizations of Two Novel Silver(I) Complexes Constructed by Oxydipropionitrile Ligand
Crystal Growth & Design, 2005, 5, 73
4506115 CIFC24 H24 Co N8 O6 SP -414.352; 14.352; 6.2985
90; 90; 90		1297.36Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop
Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions
Crystal Growth & Design, 2012, 12, 2691
4508245 CIFC38 H64 Cl2 Cu N8 O20P -412.3335; 12.3335; 18.836
90; 90; 90		2865.2Mukherjee, Gargi; Biradha, Kumar
Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet
Crystal Growth & Design, 2013, 13, 4100
4516697 CIFC168 H156 Cl4 N20 P4 Ru4P -419.0698; 19.0698; 9.8294
90; 90; 90		3574.5Hale, Lillian V. A.; Malakar, Tanmay; Tseng, Kuei-Nin T.; Zimmerman, Paul M.; Paul, Ankan; Szymczak, Nathaniel K.
The Mechanism of Acceptorless Amine Double Dehydrogenation byN,N,N-Amide Ruthenium(II) Hydrides: A Combined Experimental and Computational Study
ACS Catalysis, 2016, 6, 4799
7000305 CIFCl H56 Mo8 N12 O56 P9P -49.7148; 9.7148; 14.5615
90; 90; 90		1374.28Kotsapa, Eleni; Weller, Mark T.
[NH4]12[(MoO2)2O(HPO4)2]4[PO4]X, X = Cl, Br—new porous layer molybdenophosphates with embedded multiple anionic and cationic guests
Dalton Transactions, 2009, 418-420
7000829 CIFC62 H64 Al N6P -415.1771; 15.1771; 11.6305
90; 90; 90		2679Alexander, Sean G.; Cole, Marcus L.; Forsyth, Craig M.; Furfari, Samantha K.; Konstas, Kristina
Bulky triazenide complexes of alumino- and gallohydrides
Dalton Transactions, 2009, 2326-2336
7016619 CIFC266 H222 B16 Cu8 F64 N74 O16P -422.1963; 22.1963; 40.289
90; 90; 90		19849.4Stephenson, Andrew; Ward, Michael D.
Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 10360-10369
7017903 CIFC24 H96 N18 Ni3 O51 Sb6 V15P -446.9378; 46.9378; 16.513
90; 90; 90		36380.7Antonova, Elena; Näther, Christian; Bensch, Wolfgang
Antimonato polyoxovanadates with structure directing transition metal complexes: pseudopolymorphic {Ni(dien)2}3[V15Sb6O42(H2O)]·nH2O compounds and {Ni(dien)2}4[V16Sb4O42(H2O)].
Dalton transactions (Cambridge, England : 2003), 2012, 41, 1338-1344
7025912 CIFC48 H44 Gd2 N2 O14P -420.0734; 20.0734; 9.1385
90; 90; 90		3682.28Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon
The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 7004-7011
7038759 CIFC14 H22 Cu3 O16 P4P -416.134; 16.134; 4.5489
90; 90; 90		1184.1Hou, Xiaomin; Tang, Si-Fu
Speciation of metal phosphonates with the assistance of weak interactions.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 7349-7359
7045725 CIFC37 H28 N4P -418.3763; 18.3763; 4.4365
90; 90; 90		1498.15bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran
Rhenium(I) based irregular pentagonal-shaped metallacavitands
Dalton Transactions, 2018
7052645 CIFC68 H110 N8 O25 Ru6 WP -424.609; 24.609; 15.7876
90; 90; 90		9561Mikuriya, Masahiro; Yoshioka, Daisuke; Borta, Ana; Luneau, Dominique; Matoga, Dariusz; Szklarzewicz, Janusz; Handa, Makoto
Molecule-based magnetic materials based on dinuclear ruthenium carboxylate and octacyanotungstate
New Journal of Chemistry, 2011, 35, 1226
7055728 CIFC10 H20 O2 Se Si2P -411.0742; 11.0742; 6.4127
90; 90; 90		786.44Masuda, Toshiyuki; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru
Facile synthesis of 2,5-bis(silyl)selenophene-1,1-dioxide and its photophysical properties
New J. Chem., 2016, 40, 8593
7059151 CIFC20.5 H33 B2 Cl Ir2 S7P -418.7466; 18.7466; 8.339
90; 90; 90		2930.6Joseph, Benson; Prakash, Rini; Pathak, Kriti; Roisnel, Thierry; Kahlal, Samia; Halet, Jean-François; Ghosh, Sundargopal
A combined experimental and theoretical study of bimetallic bis- and tris-homocubane analogues
New Journal of Chemistry, 2020, 44, 674-683
7100610 CIFC108 H72 O48 P2 Pt38P -415.6156; 15.6156; 14.0477
90; 90; 90		3425.5Giuliano Longoni; Cristina Femoni; M. Carmela Iapalucci; Francesco Kaswalder; Marita Mehlstaubl; Stefano Zacchini
High-yield one-step synthesis in water of [Pt3n(CO)6n]2- (n>6) and [Pt38(CO)44]2-.
Chemical Communications, 2005
7102351 CIFCs5 P5 Se12P -413.9677; 13.9677; 7.5462
90; 90; 90		1472.2Chung, In; Jang, Joon I; Gave, Matthew A; Weliky, David P; Kanatzidis, Mercouri G
Low valent phosphorus in the molecular anions [P5Se12]5- and beta-[P6Se12]4-: phase change behavior and near infrared second harmonic generation.
Chemical communications (Cambridge, England), 2007, 4998-5000
7111508 CIFC48 H88 Ce N4P -421.1876; 21.1876; 10.3198
90; 90; 90		4632.7Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.
Facile formation of a homoleptic Ce(iv) amide via aerobic oxidation
Chemical Communications, 2006, 3546-3548
7111748 CIFC40 H36 Fe4 P4P -411.652; 11.652; 6.2473
90; 90; 90		848.2Naseri, Vesal; Less, Robert J.; Mulvey, Robert E.; McPartlin, Mary; Wright, Dominic S.
Stoichiometric and catalytic Sn-mediated dehydrocoupling of primary phosphines
Chemical Communications, 2010, 46, 5000-5002
7150752 CIFC70 H56 Cl12 N12P -421.97; 21.97; 6.972
90; 90; 90		3365.3Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan
Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies
Organic & Biomolecular Chemistry, 2009, 7, 4734-4743
7151463 CIFC11 H14 Se2P -415.4224; 15.4224; 4.8824
90; 90; 90		1161.3Schulte, J. Hilko; Werz, Daniel B.; Rominger, Frank; Gleiter, Rolf
Syntheses and solid state structures of cyclic diynes with two chalcogen centres ? a competition between weak interactions
Organic & Biomolecular Chemistry, 2003, 1, 2788
7151740 CIFC24 H23 Br N2 O6P -429.508; 29.508; 12.139
90; 90; 90		10569.7Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry, 2011, 9, 2166-2174
7154466 CIFC26 H27 N3P -416.449; 16.449; 8.4714
90; 90; 90		2292.1Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.
Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.
Organic & biomolecular chemistry, 2015, 13, 6183-6193
7203212 CIFC36 H46 Cl6 O16 P4P -412.4153; 12.4153; 7.3494
90; 90; 90		1132.8Jones, Katherine M. E.; Mahmoudkhani, Amir H.; Chandler, Brett D.; Shimizu, George K. H.
An adamantane-based tetraphosphonic acid that forms an open diamondoid net via a hydrogen-bonded phosphonic acid?water cluster
CrystEngComm, 2006, 8, 303
7203434 CIFC12 H16 Ca Co2 N4 O16P -48.898; 8.898; 7.679
90; 90; 90		608Cédric Borel; Mikael Håkansson; Lars Öhrström
Coordination bonds and strong hydrogen bonds giving a framework material based on a 4- and 8-connected net in [Ca[Co(en)(oxalato)<small><sub>2</sub></small>]<small><sub>2</sub></small>]<small><sub><i>n</i></sub></small>
CrystEngComm, 2006, 8, 666
7206358 CIFC59 H52 N4 O14 S2P -412.114; 12.114; 8.9974
90; 90; 90		1320.36Dominic Laliberté; Thierry Maris; James D. Wuest
Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers
CrystEngComm, 2005, 7, 158-160

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