Crystallography Open Database

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1513098 CIFC54 H107 Cl2 N35 O40I 41/a35.5457; 35.5457; 29.5785
90; 90; 90		37372.3Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu
The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.
Molecular pharmaceutics, 2013, 10, 4698-4705
1513100 CIFC54 H113 Cl2 N35 O43I 41/a40.8323; 40.8323; 23.3137
90; 90; 90		38870.4Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu
The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.
Molecular pharmaceutics, 2013, 10, 4698-4705
1518213 CIFC28 H20 Au N S2I 41/a35.5669; 35.5669; 7.2973
90; 90; 90		9231.1Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)
Chem. Sci., 2015, 6, 981
1518453 CIFC32 H31 F3 N4 O6I 41/a28.1062; 28.1062; 14.709
90; 90; 90		11619.5Jiao, Wei-Hua; Chen, Guo-Dong; Gao, Hao; Li, Jing; Gu, Bin-Bin; Xu, Ting-Ting; Yu, Hao-Bing; Shi, Guo-Hua; Yang, Fan; Yao, Xin-Sheng; Lin, Hou-Wen
(±)-Quassidines I and J, Two Pairs of Cytotoxic Bis-β-carboline Alkaloid Enantiomers from Picrasma quassioides.
Journal of natural products, 2015, 78, 125-130
1520712 CIFC80 H52 N24 O20 S4 Zn4I 41/a16.4641; 16.4641; 53.397
90; 90; 90		14474.1Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari
Mixed valence mono- and hetero-metallic grid catenanes
Chem. Sci., 2015, 6, 5712
1533373 CIFC28 H42 Au Cl3 N4 OI 41/a37.1846; 37.1846; 9.743
90; 90; 90		13471.6Ramsay, William J.; Foster, Jonathan A.; Moore, Katharine L.; Ronson, Tanya K.; Mirgalet, Raphaël J.; Jefferson, David A.; Nitschke, Jonathan R.
AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6integrally gilded cages
Chem. Sci., 2015, 6, 7326
1534395 CIFC99 H88 F6 N5 O7 PI 41/a33.379; 33.379; 40.257
90; 90; 90		44853Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng
Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes
Chem. Sci., 2016, 7, 469
1540715 CIFC44 H44 N4 O23 Sr2I 41/a28.4784; 28.4784; 13.6334
90; 90; 90		11057Garai, Bikash; Mallick, Arijit; Banerjee, Rahul
Photochromic metal‒organic frameworks for inkless and erasable printing
Chem. Sci., 2016, 7, 2195
1543328 CIFC40 H46 N2 S4I 41/a17.5664; 17.5664; 44.8654
90; 90; 90		13844.5Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.
Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT
Polym. Chem., 2016, 7, 4160
1543760 CIFC87 H101 Cl10 N5 Ni O SbI 41/a57.941; 57.941; 10.6631
90; 90; 90		35798Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro
Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.
Chemical science, 2017, 8, 189-199
1544162 CIFC29 H34 N2 O6 SI 41/a29.2891; 29.2891; 18.1917
90; 90; 90		15605.8Kong, A.; Mancheno, D. E.; Boudet, N.; Delgado, R.; Andreansky, E. S.; Blakey, S. B.
Total synthesis of malagashanine: a chloroquine potentiating indole alkaloid with unusual stereochemistry.
Chemical science, 2017, 8, 697-700
1544461 CIFCe Li O8 W2I 41/a5.294; 5.294; 11.498
90; 90; 90		322.2Shimemura, T.; Sawaguchi, N.; Sasaki, M.
Synthesis and emission properties of scheelite-type LiCe(WO4)2
Journal of the Ceramic Society of Japan, 2016, 124, 938-942
1544511 CIFC16 H20 Cl2 Ir N2 O2I 41/a16.9129; 16.9129; 25.3688
90; 90; 90		7256.6Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H.
A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties.
Chemical science, 2017, 8, 1642-1652
1546291 CIFAl0.024 Na0.015 O4 Si1.978I 41/a13.7002; 13.7002; 19.4438
90; 90; 90		3649.51Momma, K.; Ikeda, T.; Nishikubo, K.; Takahashi, N.; Honma, C.; Takada, M.; Furukawa, Y.; Nagase, T.; Kudoh, Y.
New silica clathrate minerals that are isostructural with natural gas hydrates
Nature Communications, 2011, 2, 1-7
1546350 CIFC43 H3 F20 N4 Ni O2I 41/a15.3093; 15.3093; 15.8346
90; 90; 90		3711.23Wu, Zhuo-Yan; Wang, Teng; Meng, Yin-Shan; Rao, Yu; Gao, Song; Zheng, Jie; Wang, Bing-Wu; Zhang, Jun-Long
Enhancing the Reactivity of Nickel(II) in Hydrogen Evolution Reactions (HER) by β-Hydrogenation of Porphyrinoid Ligands
Chem. Sci., 2017
1546388 CIFC14 H6 B2 F3 K2 N7 OI 41/a25.5118; 25.5118; 12.1914
90; 90; 90		7934.8Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik
Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates
Chem. Sci., 2017
1547691 CIFC41 O14 P4I 41/a24.905; 24.905; 7.5896
90; 90; 90		4707.5Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga
Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system
Nature Communications, 2017, 8, 15369
1549090 CIFO4 Si ZrI 41/a4.734; 4.734; 10.51
90; 90; 90		235.537Kusaba, K.; Yagi, T.; Kikuchi, M.; Syono, Y.
Structural considerations on the mechanism of the shock-induced zircon-scheelite transition in ZrSiO4
Journal of Physics and Chemistry of Solids, 1986, 47, 675-679
1549091 CIFO4 Si ZrI 41/a4.776; 4.776; 10.62
90; 90; 90		242.244Smirnov, M.B.; Sukhomlinov, S.V.; Smirnov, S.
Vibrational specturm of reidite ZrSiO4 from first principles
Physical Review B, 2010, 82, 094307--
1550132 CIFC11 H16 OI 41/a22.7253; 22.7253; 7.5782
90; 90; 90		3913.68Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas
A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture
Chemical Science, 2019
1550845 CIF
HKL
Paper		C20 H34 N6 S2I 41/a16.8114; 16.8114; 17.8288
90; 90; 90		5038.8Gasque, Laura; Zermeño, Edgar; Bernès, Sylvain
2,8-Dimethyl-5,11-bis[3-(methylsulfanyl)propyl]-1<i>H</i>,7<i>H</i>-diimidazo[<i>c</i>,<i>h</i>][1,6]diazecine
IUCrData, 2019, 4, x190441
1551102 CIFC85 H126 N17 O17 PI 41/a35.9168; 35.9168; 32.8056
90; 90; 90		42320Fan, Xiaoxia; Zhang, Dan; Jiang, Shiyu; Wang, Heng; Lin, Lin-Ting; Zheng, Bo; Xu, Wen-Hua; Zhao, Yanxia; Hay, Benjamin P.; Chan, Yi-Tsu; Yang, Xiao-Juan; Li, Xiaopeng; Wu, Biao
Construction and interconversion of anion-coordination-based (‘aniono’) grids and double helicates modulated by counter-cations
Chemical Science, 2019
2000801 CIF
Paper		As Ca2 O12 W2 YI 41/a5.135; 5.135; 33.882
90; 90; 90		893.4Demartin, F.; Gramaccioli, C. M.; Pilati, T.
Structure of a new natural tungstate arsenate, [Ca~2~Y(AsO~4~)(WO~4~)~2~], structurally related to scheelite
Acta Crystallographica Section C, 1992, 48, 1357-1359
2000906 CIF
Paper		C20 H16 Br2 N2I 41/a14.696; 14.696; 15.853
90; 90; 90		3423.8Mori, Y.; Matsuyama, Y.; Yamada, S.; Maeda, K.
Structures of 2,2'-polymethylene-1,1'-biisoquinolinium dibromides
Acta Crystallographica Section C, 1992, 48, 894-897
2001359 CIF
Paper		C10 H10 S2I 41/a22.386; 22.386; 13.8834
90; 90; 90		6957.4Brett, W. A.; Rademacher, P.; Boese, R.
Structure of 1,3,6,8-tetrahydrodithieno[3,4-<i>a</i>:3',4'-<i>c</i>]benzene
Acta Crystallographica Section C, 1993, 49, 1566-1568
2001475 CIF
Paper		C30 H20 N6I 41/a27.699; 27.699; 6.169
90; 90; 90		4733.1Breu, J.; Range, K.-J.
Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine
Acta Crystallographica Section C, 1993, 49, 1541-1543
2001934 CIF
Paper		K O4 ReI 41/a5.68174; 5.68174; 12.7118
90; 90; 90		410.36Brown, R. J. C.; Powell, B. M.; Stuart, S. N.
Thermal effects in the structure of potassium perrhenate
Acta Crystallographica Section C, 1993, 49, 214-216
2001935 CIF
Paper		K O4 ReI 41/a5.66115; 5.66115; 12.611
90; 90; 90		404.165Brown, R. J. C.; Powell, B. M.; Stuart, S. N.
Thermal effects in the structure of potassium perrhenate
Acta Crystallographica Section C, 1993, 49, 214-216
2001936 CIF
Paper		K O4 ReI 41/a5.65029; 5.65029; 12.5556
90; 90; 90		400.847Brown, R. J. C.; Powell, B. M.; Stuart, S. N.
Thermal effects in the structure of potassium perrhenate
Acta Crystallographica Section C, 1993, 49, 214-216
2005834 CIF
Paper		C12 H21 Cd N6 O6.5I 41/a13.791; 13.791; 20.313
90; 90; 90		3863.4Chotalia, R.; Hambley, T. W.; Ridley, D. D.; Turner, P.
A Cadmium(II) Complex of Creatinine, [Cd(C~2~H~3~O~2~)~2~(C~4~H~7~N~3~O)~2~].0.5H~2~O
Acta Crystallographica Section C, 1996, 52, 3043-3045
2009460 CIF
Paper		C7 H26 B18 Co N O2I 41/a23.971; 23.971; 14.398
90; 90; 90		8273.2Císařová, I.; Malý, K.; Hummel, L.
Bridged bis(dicarbadodecaborane)cobalt(III)
Acta Crystallographica Section C, 1994, 50, 198-200
2009848 CIF
Paper		C28 H16 F12 SnI 41/a17.3167; 17.3167; 8.8439
90; 90; 90		2652Smith, F.E.; Khoo, L.E.; Hynes, R.C.; Zhang, Y.Z.; Eng, G.
Tetrakis[<i>m</i>-(trifluoromethyl)phenyl]tin(IV)
Acta Crystallographica Section C, 1994, 50, 1046-1049
2009895 CIF
Paper		Cl5 H18 Ir N4 O3 PtI 41/a15.655; 15.655; 23.554
90; 90; 90		5772.6Garner, E.; Bele, M.
Tetraammineplatinum(II) aquapentachloroiridate(III) dihydrate, [Pt(NH~3~)~4~][IrCl~5~(H~2~O)].2H~2~O
Acta Crystallographica Section C, 1994, 50, 994-996
2009950 CIF
Paper		C15 H13 N O4I 41/a19.531; 19.531; 14.131
90; 90; 90		5390.4Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.
2-(3-Benzyloxy-4-nitrophenyl)oxirane, an intermediate in the synthesis of formoterol
Acta Crystallographica Section C, 1994, 50, 1294-1295
2019867 CIF
HKL
Paper		C28 H56 Mn12 N8 O60I 41/a15.7293; 15.7293; 27.901
90; 90; 90		6903Thuijs, Annaliese E.; Christou, George; Abboud, Khalil A.
[Mn~12~O~12~(O~2~CMe)~12~(NO~3~)~4~(H~2~O)~4~]: facile synthesis of a new type of Mn~12~ complex
Acta Crystallographica Section C, 2015, 71
2020778 CIF
HKL
Paper		C90 H68 Ca O29 Zn6I 41/a33.1506; 33.1506; 16.6829
90; 90; 90		18333.9Guo, Pei-Ying; Ma, De-Yun; Guo, Hai-Fu
A twofold interpenetrating three-dimensional heterometallic metal‒organic framework with pcu topology based on 2-methylbiphenyl-4,4'-dicarboxylic acid
Acta Crystallographica Section C, 2017, 73, 470-475
2020785 CIF
HKL		C13 H13 Cl2 N5 O2I 41/a19.513; 19.513; 17.613
90; 90; 90		6706Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo
Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization
Acta Crystallographica Section C, 2017, 73, 563-568
2100785 CIF
Paper		C12 H8 O4I 41/a22.086; 22.086; 9.463
90; 90; 90		4616Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.
1,2-Naphthalenedicarboxylic acid: structures of channel clathrates and an unsolvated crystalline phase
Acta Crystallographica Section B, 1992, 48, 290-297
2240411 CIF
HKL
Paper		C14 H10 Cr N3 O8I 41/a7.0305; 7.0305; 28.995
90; 90; 90		1433.2Moon, Dohyun; Choi, Jong-Ha
Crystal structure of ammonium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')chromate(III) from synchrotron data
Acta Crystallographica Section E, 2015, 71, 210-212
2241108 CIF
HKL		C25 H32 N4 O8I 41/a14.4474; 14.4474; 12.2965
90; 90; 90		2566.62Matsumoto, Kouzou; Kawashita, Kazuaki; Kannami, Masaki; Oda, Masaji
Crystal structure of tetrakis(1-oxidopyridin-2-yl)methane methanol tetrasolvate
Acta Crystallographica Section E, 2015, 71, o754-o755
2241522 CIF
HKL		C20 H18 N4 O4I 41/a10.2295; 10.2295; 36.281
90; 90; 90		3796.5Alfonso, Montserrat; Stoeckli-Evans, Helen
Dimethyl and diethyl esters of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid: a comparison
Acta Crystallographica Section E, 2016, 72, 233-237
2241749 CIF
HKL
Paper		C12 H22 Br4 Cd N4I 41/a14.691; 14.691; 20.075
90; 90; 90		4332.7Dordević, Tamara; Gerger, Sabrina; Karanović, Ljiljana
Crystal structure of the tetragonal polymorph of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate
Acta Crystallographica Section E, 2016, 72, 1013-1016
2242256 CIF
HKL
Paper		Na O4 TcI 41/a5.2945; 5.2945; 11.747
90; 90; 90		329.29German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A.
Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data
Acta Crystallographica Section E, 2017, 73, 1037-1040
2242338 CIF
HKL
Paper		C26 H14 Cl6 O5I 41/a41.432; 41.432; 7.7844
90; 90; 90		13362.8Wang, Lili; Filatov, Alexander S.; Engel, Gregory S.
Crystal structure of 4'-allyl-4,5,6,7,2',7'-hexachlorofluorescein allyl ester unknown solvate
Acta Crystallographica Section E, 2018, 74, 83-87
2242884 CIF
HKL		C19 H15 Cl6 N O4I 41/a29.625; 29.625; 10.2427
90; 90; 90		8989.4Manohar, R.; Harikrishna, M.; Etti, S. Harikrishna; Ramanathan, C.; Gunasekaran, K.
Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione [+solvent]
Acta Crystallographica Section E, 2019, 75, 562-564
2242949 CIF
HKL
Paper		C16 H15 Cl N2 O3I 41/a15.314; 15.314; 25.736
90; 90; 90		6036Narasimhamurthy, Kereyagalahally H.; Chandra; Sagar, Belakavadi K.; Rangappa, Kanchugarakoppal S.; Yathirajan, Hemmige S.; Glidewell, Christopher
The crystal structure of (<i>RS</i>)-7-chloro-2-(2,5-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one: two hydrogen bonds generate an elegant three-dimensional framework structure
Acta Crystallographica Section E, 2019, 75, 843-847
4033044 CIFC65 H41 N5I 41/a18.263; 18.263; 61.044
90; 90; 90		20360Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua
Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator.
The Journal of organic chemistry, 2017, 82, 12106-12111
4062540 CIFC31 H40 O TiI 41/a31.5859; 31.5859; 10.8055
90; 90; 90		10780.3Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.
Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation
Organometallics, 2004, 23, 2146-2156
4081168 CIFC9 H18 Li NI 41/a17.806; 17.806; 12.312
90; 90; 90		3903.6Zhang, Shaoguang; Zhan, Ming; Zhang, Wen-Xiong; Xi, Zhenfeng
3-D Brick-Wall Polymeric Structure of TMEDA-Supported 1,4-Dilithio-1,3-Butadiene
Organometallics, 2013, 32, 4020
4085623 CIFC37 H28 Cl2 N5 P RuI 41/a32.3373; 32.3373; 15.1351
90; 90; 90		15826.8Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping
New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones
Organometallics, 2015, 34, 1170
4086725 CIFC25 H40 Cl Ir N4I 41/a25.892; 25.892; 27.666
90; 90; 90		18547Gomez-Lopez, Jessica L.; Chávez, Daniel; Parra-Hake, Miguel; Royappa, Arun T.; Rheingold, Arnold L.; Grotjahn, Douglas B.; Miranda-Soto, Valentín
Synthesis and Reactivity of Bis(protic N-heterocyclic carbene)iridium(III) Complexes
Organometallics, 2016, 35, 3148
4120333 CIF
HKL		C9 H17 Li OI 41/a18.8947; 18.8947; 10.2755
90; 90; 90		3668.5Chicheung Su; Russell Hopson; Paul G. Williard
Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex
Journal of the American Chemical Society, 2013, 135, 12400-12406
4124358 CIFC28 H29 N3 O PdI 41/a27.9607; 27.9607; 12.0343
90; 90; 90		9408.4Nakano, Ryo; Nozaki, Kyoko
Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.
Journal of the American Chemical Society, 2015, 137, 10934-10937
4125535 CIFC148 H136 Cl12I 41/a18.9935; 18.9935; 50.612
90; 90; 90		18258.4Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.
Impact of Shape Persistence on the Porosity of Molecular Cages.
Journal of the American Chemical Society, 2017, 139, 3259-3264
4125993 CIFC48 H48 B F10 N O3 S ZrI 41/a25.3643; 25.3643; 33.4936
90; 90; 90		21548Jian, Zhongbao; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Wiegand, Thomas; Siedow, Melanie; Eckert, Hellmut; Bursch, Markus; Grimme, Stefan; Erker, Gerhard
CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen.
Journal of the American Chemical Society, 2017
4126028 CIFC66 H0 Hf3 O18I 41/a33.087; 33.087; 21.564
90; 90; 90		23607Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin
Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers.
Journal of the American Chemical Society, 2017, 139, 7020-7029
4126308 CIFC260 H180 As8 F48 Fe4 N28I 41/a24.8124; 24.8124; 47.889
90; 90; 90		29483.1Ronson, Tanya K.; Meng, Wenjing; Nitschke, Jonathan R.
Design Principles for the Optimization of Guest Binding in Aromatic-Paneled Fe(II)4L6 Cages.
Journal of the American Chemical Society, 2017, 139, 9698-9707
4126900 CIFC44 H22 N4 O8I 41/a15.469; 15.469; 34.551
90; 90; 90		8267.7Wu, Yilei; Han, Ji-Min; Hong, Michael; Krzyaniak, Matthew D.; Blackburn, Anthea K.; Fernando, Isurika R.; Cao, Dennis D.; Wasielewski, Michael R.; Stoddart, J. Fraser
X-Shaped Oligomeric Pyromellitimide Polyradicals.
Journal of the American Chemical Society, 2017
4127017 CIFC76 H108 Ag14 B60 N8 S12I 41/a27.1757; 27.1757; 26.6358
90; 90; 90		19671Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.
Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.
Journal of the American Chemical Society, 2018
4127162 CIFC6 H5 Br0.36 Cl0.64 O2I 41/a19.067; 19.067; 6.882
90; 90; 90		2502Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.
Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.
Journal of the American Chemical Society, 2018
4127163 CIFC6.19 H5 Br0.81 O2I 41/a19.231; 19.231; 6.9229
90; 90; 90		2560.3Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.
Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.
Journal of the American Chemical Society, 2018
4127165 CIFC6.24 H5 Br0.32 Cl0.44 O2I 41/a19.153; 19.153; 6.9155
90; 90; 90		2536.9Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.
Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.
Journal of the American Chemical Society, 2018
4325351 CIFC12 H22 Cl4 N4 ZnI 41/a14.0059; 14.0059; 19.138
90; 90; 90		3754.21Julien Estager; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Sophie Tyrrell
Validation of Speciation Techniques: A Study of Chlorozincate(II) Ionic Liquids
Inorganic Chemistry, 2011, 50, 5258-5271
4330564 CIFC26.18 H33.35 Cl2.35 N5 P RhI 41/a31.8629; 31.8629; 10.9579
90; 90; 90		11124.9Sarath Wanniarachchi; Brendan J. Liddle; Brandon Kizer; Jeewantha S. Hewage; Sergey V. Lindeman; James R. Gardinier
Syntheses and Electronic Properties of Rhodium(III) Complexes Bearing a Redox-Active Ligand
Inorganic Chemistry, 2012, 51, 10572-10580
4338511 CIFF5 Li UI 41/a14.8467; 14.8467; 6.5168
90; 90; 90		1436.46Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad
Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13.
Inorganic chemistry, 2014, 53, 6289-6298
4340859 CIFC11.96 H31.98 B11 I0.02 N O2I 41/a17.3207; 17.3207; 26.9149
90; 90; 90		8074.6Hailmann, Michael; Konieczka, Szymon Z.; Himmelspach, Alexander; Löblein, Jochen; Reiss, Guido J.; Finze, Maik
Carba-closo-dodecaborate Anions with Two Functional Groups: [1-R-12-HC≡C-closo-1-CB11H10](-) (R = CN, NC, CO2H, C(O)NH2, NHC(O)H).
Inorganic chemistry, 2014, 53, 9385-9399
4341851 CIFC17 H8 Co F6 O4I 41/a28.3446; 28.3446; 10.5434
90; 90; 90		8470.7Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles
Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.
Inorganic chemistry, 2014, 141204082337009
4341854 CIFC34 H16 F12 Mn2 O8I 41/a28.5047; 28.5047; 10.5027
90; 90; 90		8533.6Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles
Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.
Inorganic chemistry, 2014, 141204082337009
4343097 CIFC72 H136 In8 N16 Se38 Sn8I 41/a19.5931; 19.5931; 37.8365
90; 90; 90		14525Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying
From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.
Inorganic chemistry, 2015, 54, 5874-5878
4343098 CIFC72 H136 Cs In9 N16 Se38 Sn7I 41/a19.6437; 19.6437; 37.7046
90; 90; 90		14549.3Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying
From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.
Inorganic chemistry, 2015, 54, 5874-5878
4343099 CIFC72 H136 In9 N16 Rb Se38 Sn7I 41/a19.6218; 19.6218; 37.6897
90; 90; 90		14511.1Du, Cheng-Feng; Li, Jian-Rong; Zhang, Bo; Shen, Nan-Nan; Huang, Xiao-Ying
From T2,2@Bmmim to Alkali@T2,2@Bmmim Ivory Ball-like Clusters: Ionothermal Syntheses, Precise Doping, and Photocatalytic Properties.
Inorganic chemistry, 2015, 54, 5874-5878
4343261 CIFMn3 O8 Ta2I 41/a11.2133; 11.2133; 9.7723
90; 90; 90		1228.75Rickert, Karl; Pozzi, Eric A.; Khanal, Rabi; Onoue, Masatoshi; Trimarchi, Giancarlo; Medvedeva, Julia E.; Hersam, Mark C.; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Selective Crystal Growth and Structural, Optical, and Electronic Studies of Mn3Ta2O8.
Inorganic chemistry, 2015, 54, 6513-6519
4343363 CIFC24 H31 Br3 Cu3 N5 P2I 41/a29.959; 29.959; 14.054
90; 90; 90		12614Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.
Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.
Inorganic chemistry, 2015, 54, 6063-6065
4343365 CIFC25 H30 Cl2 Cu2 I2 N2 P2I 41/a15.592; 15.592; 26.068
90; 90; 90		6337Siddiqui, Mujahuddin M.; Mague, Joel T.; Balakrishna, Maravanji S.
Diamondoid-Type Copper Coordination Polymers Containing Soft Cyclodiphosphazane Ligands.
Inorganic chemistry, 2015, 54, 6063-6065
4345135 CIFC22 H28 Cl N3 OsI 41/a28.7379; 28.7379; 10.0804
90; 90; 90		8325.1Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.
Inorganic chemistry, 2017, 56, 528-541
4345136 CIFC21 H26 Cl N3 OsI 41/a28.1686; 28.1686; 10.1755
90; 90; 90		8074Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.
Inorganic chemistry, 2017, 56, 528-541
4345141 CIFC22 H28 Cl N3 RuI 41/a28.6971; 28.6971; 10.0994
90; 90; 90		8317.1Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.
Inorganic chemistry, 2017, 56, 528-541
4345142 CIFC21 H26 Cl N3 RuI 41/a28.0525; 28.0525; 10.1626
90; 90; 90		7997.4Riedl, Christoph A.; Flocke, Lea S.; Hejl, Michaela; Roller, Alexander; Klose, Matthias H. M.; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.
Introducing the 4-Phenyl-1,2,3-Triazole Moiety as a Versatile Scaffold for the Development of Cytotoxic Ruthenium(II) and Osmium(II) Arene Cyclometalates.
Inorganic chemistry, 2017, 56, 528-541
4345420 CIFC24 H34 Na2 O18 U2I 41/a18.0521; 18.0521; 19.4747
90; 90; 90		6346.4Thuéry, Pierre; Harrowfield, Jack
Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.
Inorganic chemistry, 2017, 56, 1455-1469
4345421 CIFC24 H34 Ag2 O18 U2I 41/a18.1546; 18.1546; 19.5356
90; 90; 90		6438.7Thuéry, Pierre; Harrowfield, Jack
Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.
Inorganic chemistry, 2017, 56, 1455-1469
4507507 CIFC48 H50 Co La2 N8 O29I 41/a46.038; 46.038; 11.3254
90; 90; 90		24004Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507508 CIFC48 H52 Co N8 O30 Pr2I 41/a45.942; 45.942; 11.2367
90; 90; 90		23716.9Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507509 CIFC48 H50 Co N8 Nd2 O29I 41/a45.7979; 45.7979; 11.2276
90; 90; 90		23549.3Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507510 CIFC48 H50 Co N8 O29 Sm2I 41/a45.9697; 45.9697; 11.1834
90; 90; 90		23632.9Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507511 CIFC48 H50 Co Eu2 N8 O29I 41/a45.8777; 45.8777; 11.10616
90; 90; 90		23375.8Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507512 CIFC48 H46 Co Gd2 N8 O27I 41/a45.204; 45.204; 10.7836
90; 90; 90		22035.2Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507513 CIFC48 H48 Co N8 O28 Tb2I 41/a45.822; 45.822; 11.0046
90; 90; 90		23105.9Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4507514 CIFC48 H48 Co Dy2 N8 O29I 41/a45.87; 45.87; 10.998
90; 90; 90		23140Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng
A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties
Crystal Growth & Design, 2013, 13, 1218
4512583 CIFC21 H26 O5I 41/a22.3255; 22.3255; 14.2555
90; 90; 90		7105.3Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.
Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.
ACS chemical biology, 2015, 10, 1099-1109
4513232 CIFC52 H32 Ag2 N6 O6 SiI 41/a17.0103; 17.0103; 77.059
90; 90; 90		22297Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.
Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand
Crystal Growth & Design, 2015, 15, 3539
4513236 CIFC56 H32 N4 SiI 41/a26.518; 26.518; 6.3122
90; 90; 90		4439Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.
Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand
Crystal Growth & Design, 2015, 15, 3539
4513238 CIFC44 H52 Si5I 41/a14.5595; 14.5595; 22.373
90; 90; 90		4742.6Geyer, Florian L.; Rominger, Frank; Vogtland, Maximilian; Bunz, Uwe H. F.
Interpenetrated Frameworks with Anisotropic Pore Structures from a Tetrahedral Pyridine Ligand
Crystal Growth & Design, 2015, 15, 3539
4514017 CIFC35 H54 Cl2 Cu2 N10I 41/a20.4817; 20.4817; 21.6349
90; 90; 90		9075.8Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.
Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones
ACS Catalysis, 2017, 7, 238
4514410 CIFC200 H204 Ag22 Cl4 P8 S12I 41/a19.4007; 19.4007; 57.9021
90; 90; 90		21793.6Khatun, Esma; Bodiuzzaman, Mohammad; Sugi, Korath Shivan; Chakraborty, Papri; Paramasivam, Ganesan; Dar, Wakeel Ahmed; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil
Confining an Ag<sub>10</sub> Core in an Ag<sub>12</sub> Shell: A Four-Electron Superatom with Enhanced Photoluminescence upon Crystallization.
ACS nano, 2019
6000090 CIFCd Cu2 S8 Sn3I 41/a7.3827; 7.3827; 10.4152
90; 90; 90		567.67Chykhrij, S. I.; Sysa, L. V.; Parasyuk, O. V.; Piskach, L. V.
Crystal structure of the Cu2CdSn3S8 compound
Journal of Alloys and Compounds, 2000, 307, 124-126
6000163 CIFO24 Re4 Sr11I 41/a11.6779; 11.6779; 16.1488
90; 90; 90		2202.27Bramnik, K. G.; Miehe, G.; Ehrenberg, H.; Fuess, H.; Abakumov, A. M.; Shpanchenko, R. V.; Pomjakushin, V. Y.; Balagurov, A. M.
Preparation, structure, and magnetic studies of a new Sr11Re4O24 double oxide
Journal of Solid State Chemistry, 2000, 149, 49-55
6000270 CIFMn3 O8 Ta2I 41/a11.2728; 11.2728; 9.803
90; 90; 90		1245.73Grins, J.; Esmaeilzadeh, S.; Berastegui, P.; Eriksson, S.
Determination of the magnetic structure at 10 k of Mn3Ta2O8, and refinement of the crystal structure at 295 K, using neutron powder diffraction data
Journal of Materials Chemistry, 1999, 9, 1575-1578
6000388 CIFMn3 O8 Ta2I 41/a11.2728; 11.2728; 9.803
90; 90; 90		1245.73Esmaeilzadeh, S.; Grins, J.; Fitch, A.
Determination of the fluorite related structure of Mn3Ta2O8, using synchrotron X-ray powder and electron diffraction data
Journal of Materials Chemistry, 1998, 8, 2493-2497
6000759 CIFC4 H8 K O12 YI 41/a11.4612; 11.4612; 8.904
90; 90; 90		1169.62Bataille, T.; Auffrédic, J. P.; Louër, D.
A powder diffraction study of the crystal structure and the dehydration process of yttrium potassium oxalate tetrahydrate
Materials Science Forum, 2000, 321, 976-981
7019330 CIFC120.75 H104.75 Cd2 Fe2 N13 O23I 41/a18.967; 18.967; 61.245
90; 90; 90		22033Smythe, Nathan C.; Butler, Derek P.; Moore, Curtis E.; McGowan, William R.; Rheingold, Arnold L.; Beauvais, Laurance G.
A heterobimetallic metal-organic framework with tunable reactive metal sites: synthesis, characterization, and reactivity.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 7855-7858

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