Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2000129 | CIF | C54 H166 F6 Ga32 N12 O148 P32 | I 2 3 | 16.3782; 16.3782; 16.3782 90; 90; 90 | 4393.38 | Reinert, P.; Marler, B.; Patarin, J. Synthesis and characterization of the new microporous fluorogallophosphate Mu-2 with a novel framework topology Chemical Communications, 1998, 1769-1770 |
| 5000033 | CIF | C13 H18 O2 | P 1 21/c 1 | 14.397; 7.818; 10.506 90; 99.7; 90 | 1165.6 | Shankland, Norman; Florence, Alastair J.; Cox, Philip J.; Sheen, David B.; Love, Steve W.; Stewart, Neil S.; Wilson, Chick C. Crystal morphology of ibuprofen predicted from single-crystal pulsed neutron diffraction data Chemical Communications, 1996, 855-856 |
| 5000161 | CIF | C27 H43 N O5 | P 21 21 21 | 16.882; 17.619; 8.497 90; 90; 90 | 2527.38 | Nakano, Kazunori; Sada, Kazuki; Miyata, Mikiji Novel additive effect of inclusion crystals on polymorphs‒cholic acid crystals having different hydrogen-bonded networks with the same organic guest Chemical Communications, 1996, 989-990 |
| 5000287 | CIF | C10 H6 Br4 Cl2 N2 | P b c n | 12.438; 8.753; 13.696 90; 90; 90 | 1491.08 | Gribble, G. W.; Blank, D. H.; Jasinski, J. P. Synthesis and identification of two halogenated bipyrroles present in seabird eggs Chemical Communications, 1999, 2195-2196 |
| 5000295 | CIF | C114 H202 Mn8 O38 | P -1 | 14.7812; 15.0833; 35.2358 78.7348; 84.8151; 61.9138 | 6797.2 | Boskovic, Colette; Huffman, John C.; Christou, George A new synthetic method to Mn carboxylate clusters: reductive fragmentation of [Mn~12~O~12~(O~2~CR)~16~(H~2~O)~4~] to [Mn~8~O~2~(O~2~CR)~14~(RCO~2~H)~4~] (R = CH2But) Chemical Communications, 2002, 2502-2503 |
| 5000311 | CIF | C26 H55 Cl N3 O17 V5 | C 1 2/c 1 | 16.111; 14.9003; 33.674 90; 91.39; 90 | 8081 | Karet, Gail B.; Streib, William E.; Bollinger, John C.; Christou, George; Sun, Ziming; Hendrickson, David N. Stepwise assembly of a polyoxovanadate from mononuclear units in an organic solvent: carboxylate-stabilised fragments in the conversion of [VOCl4]2− to [V15O36]5− Chemical Communications, 2249-2250 |
| 5000373 | CIF | C72 H48 O12 Ti2 | C 1 2/c 1 | 22.924; 17.721; 18.87 90; 129.596; 90 | 5906.7 | Grillo, Vincent A.; Seddon, Elisa J.; Grant, Craig M.; Aromí, Guillem; Bollinger, John C.; Folting, Kirsten; Christou, George Bis(β-diketonate) ligands for the synthesis of bimetallic complexes of Ti^III^, V^III^, Mn^III^ and Fe^III^ with a triple-helix structure Chemical Communications, 1997, 1561-1562 |
| 5000405 | CIF | C42.56 H103.84 N6.28 O36 V15 | C 1 2/c 1 | 22.105; 13.784; 26.604 90; 107.56; 90 | 7728.4 | Karet, Gail B.; Streib, William E.; Bollinger, John C.; Christou, George; Sun, Ziming; Hendrickson, David N. Stepwise assembly of a polyoxovanadate from mononuclear units in an organic solvent: carboxylate-stabilised fragments in the conversion of [VOCl4]2− to [V15O36]5− Chemical Communications, 2249-2250 |
| 7100000 | CIF | C63 H70 N4 O13 | P 1 21/c 1 | 21.48; 15.086; 18.231 90; 109.75; 90 | 5560 | G.W.V.Cave; M.C.Ferrarelli; J.L.Atwood Nano-dimensions for the pyrogallol[4]arene cavity Chemical Communications, 2005 |
| 7100001 | CIF | C13 H16 N4 O2 | P 21 21 2 | 32.0792; 14.408; 7.2035 90; 90; 90 | 3329.44 | Jon Parquette; Judith C. Gallucci; Adam J. Preston The Influence of Sterics on the Formation of Polar 1-D Hydrogen-Bonded Networks Chemical Communications, 2005 |
| 7100002 | CIF | C17 H24 N4 O2 | P 1 21 1 | 6.131; 13.95; 20.22 90; 91.021; 90 | 1729.1 | Chemical Communications, 2005 |
| 7100003 | CIF | C60 H77.5 F4 N6 Na Ni4 O13.25 | I 4 3 2 | 29.5764; 29.5764; 29.5764 90; 90; 90 | 25872 | R. Winpenny; Guillem. Aromi; Aidan Bell; S. J. Teat; Wolfgang Wernsdorfer Synthesis and Characterisation of a {Ni8} Single Molecule Magnet and A Related Cage Chemical Communications, 2005 |
| 7100004 | CIF | C77.3 H115 N56 Na2 Ni8 O29.3 | P 1 21/n 1 | 16.055; 16.408; 23.826 90; 103.176; 90 | 6111 | R. Winpenny; Guillem. Aromi; Aidan Bell; S. J. Teat; Wolfgang Wernsdorfer Synthesis and Characterisation of a {Ni8} Single Molecule Magnet and A Related Cage Chemical Communications, 2005 |
| 7100005 | CIF | C8 H8 Co3 O13 | C 1 2/m 1 | 9.2966; 12.8636; 5.4998 90; 90.533; 90 | 657.68 | Kurmoo, Mohamedally; Kumagai, Hitoshi; Chapman, Karena W.; Kepert, Cameron J. Reversible ferromagnetic-antiferromagnetic transformation upon dehydration-hydration of the nanoporous coordination framework, [Co3(OH)2(C4O4)2] 3H2O Chemical Communications, 2005 |
| 7100006 | CIF | C8 H2 Co3 O10 | C 1 2/m 1 | 9.4684; 12.7225; 5.4873 90; 90.314; 90 | 661 | Chemical Communications, 2005 |
| 7100007 | CIF | C20 H20 O3 S | P n m a | 7.1305; 34.505; 6.8846 90; 90; 90 | 1693.9 | Aitipamula Srinivasulu; Ashwini Nangia Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph Chemical Communications, 2005 |
| 7100008 | CIF | C22 H22 O2 | R -3 :H | 20.858; 20.858; 10.0116 90; 90; 120 | 3772.1 | Aitipamula Srinivasulu; Ashwini Nangia Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph Chemical Communications, 2005 |
| 7100009 | CIF | C22 H22 O2 | P 1 21/c 1 | 9.553; 4.5252; 20.21 90; 100.555; 90 | 858.9 | Aitipamula Srinivasulu; Ashwini Nangia Concomitant polymorphs of 2,2',6,6'-tetramethyl-4,4'-terphenyldiol: the b-quinol network reproduced in a metastable polymorph Chemical Communications, 2005 |
| 7100012 | CIF | C37 H36 Cl2 F4 O4 | P -1 | 10.1223; 12.6116; 13.7458 86.93; 89.931; 71.358 | 1660.09 | F. Toda; Shinya Hirano; Masako Kato; Shinji Toyota Isolation of axial conformers of chloro- and bromocyclohexane in a pure state as inclusion complexes with 9,9'-bianthryl, and the discovery of a novel 1,3 axial Cl—H weak hydrogen bond Chemical Communications, 2005 |
| 7100013 | CIF | C34 H29 Cl | P -1 | 12.043; 19.012; 10.994 96.075; 102.296; 89.397 | 2445.3 | Chemical Communications, 2005 |
| 7100016 | CIF | C40 H78 Ni2 O17 | P b c a | 12.088; 19.348; 48.185 90; 90; 90 | 11269 | R. Winpenny; F. P. Booy; Kirsten Christensen; Finn Larsen; Gopalan Rajaraman; G.A.Timco Theoretical studies on bi and tetranuclear Ni pivalate complexes Chemical Communications, 2005 |
| 7100017 | CIF | C78 H77 Cl N2 O2 P2 Ru | P 1 21 1 | 11.735; 17.146; 17.634 90; 105.44; 90 | 3419.9 | Robert H. Morris; Xuanhua Chen.; Christian Elpelt; Rongwei Guo.; Datong Song. A Modular Design of Ruthenium Catalysts with Diamine and Binol-derived Phosphinite Ligands that are Enantiomerically-Matched for the Effective Asymmetric Transfer Hydrogenation of Simple Ketones Chemical Communications, 2005 |
| 7100018 | CIF | C63 H69 F12 N15 O3 P2 Ru | P 21 3 | 18.999; 18.999; 18.999 90; 90; 90 | 6858.1 | Gebhard Haberhauer; Thomas Oeser; Frank Rominger A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems Chemical Communications, 2005 |
| 7100019 | CIF | C63 H78.6 Ir N12 O10.8 | R 3 :H | 16.2136; 16.2136; 22.0711 90; 90; 120 | 5024.7 | Gebhard Haberhauer; Thomas Oeser; Frank Rominger A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems Chemical Communications, 2005 |
| 7100020 | CIF | C53 H64 Cl4 N10 O3 | P 1 21 1 | 13.0619; 15.4301; 13.6751 90; 92.057; 90 | 2754.39 | Gebhard Haberhauer; Thomas Oeser; Frank Rominger A widely applicable concept for predictable induction of preferred configuration in C3-symmetric systems Chemical Communications, 2005 |
| 7100021 | CIF | C28 H42 Cu4 N24 O3 W2 | P c c n | 25.6673; 13.4786; 13.5486 90; 90; 90 | 4687.3 | Barbara Sieklucka; Maria Balanda; Tomasz Korzeniak; Kazimierz Kowalski; Robert Pelka; K. Stadnicka; Krzysztof Tomala An unprecedented copper (I,II) octacyanotungstate(V) 2-D network: crystal structure and magnetism of [CuII(tren)]{CuI[WV(CN)8]}*1.5H2O Chemical Communications, 2005 |
| 7100022 | CIF | C84 H56 Cl4 F10 N4 S4 | P 1 21/n 1 | 18.713; 13.74; 29.251 90; 97.38; 90 | 7459 | Tavarekere K. Chandrashekar; B. S. Joshi; Viswanathan PrabhuRaja; Harapriya Rath; Raja Roy; Jeyaraman Sankar Figure-Eight Aromatic Core-modified Octaphyrins With Six meso links: Syntheses and Structural Characterization Chemical Communications, 2005 |
| 7100023 | CIF | C11 H20 Cl N Rh | P 1 2/n 1 | 10.9386; 9.676; 11.3108 90; 99.428; 90 | 1181 | Howard Alper; Jai Jun Kim. Ionic diamine rhodium (I) complexes highly active catalysts for the hydroformylation of olefins Chemical Communications, 2005 |
| 7100024 | CIF | C44 H21 Au3 Cl2 F15 Fe N3 | P 1 21/n 1 | 11.502; 22.9336; 16.601 90; 102.965; 90 | 4267.4 | M.Concepcion Gimeno; Javier E. Aguado; Maria Jose Calhorda; Antonio Laguna Unprecedented 3-M3 Coordination Mode in a Terpyridine Ligand Chemical Communications, 2005 |
| 7100025 | CIF | C27 H40 B6 Fe2 O7 Ru2 | P 1 21/n 1 | 9.6024; 22.536; 16.0264 90; 99.642; 90 | 3419.1 | S.Ghosh; B.C.Noll; T.P.Fehlner Condensed metallaborane clusters: Synthesis and structure of Fe2(CO)6(h5-C5Me5RuCO)(h5-C5Me5Ru)B6H10 Chemical Communications, 2005 |
| 7100026 | CIF | C9 H4 N0.5 Ni S11 | P -1 | 6.454; 7.448; 19.603 99.707; 91.077; 115.569 | 833.5 | Neil Robertson; A.Kuni; Stewart J. Clark; Hengbo Cui.; Wataru Fujita; Hayao Kobayahi; S.S. Staniland; Yoshikatsu Umezono A unique new multiband molecular conductor: [BDTA][Ni(dmit)2]2 Chemical Communications, 2005 |
| 7100029 | CIF | C38 H41 Br2 Cl2 Co I N4 Ni | P 1 21/c 1 | 15.211; 11.6798; 22.888 90; 96.59; 90 | 4039.5 | Hideo Nagashima; Yukihiro Motoyama; Masao Tanabiki; Kazuhiro Tsuchiya Monometallic and Heterobimetallic Azanickellacycles as Ethylene Polymerization Catalysts Chemical Communications, 2005 |
| 7100030 | CIF | C38 H41 Br2 Cl2 I N4 Ni Zn | P 1 21/c 1 | 15.091; 11.585; 22.938 90; 97.1574; 90 | 3979.1 | Chemical Communications, 2005 |
| 7100031 | CIF | C37 H39 I N4 Ni | C 1 2/c 1 | 29.374; 14.767; 17.319 90; 116.599; 90 | 6717.6 | Chemical Communications, 2005 |
| 7100032 | CIF | C11 H15 Na O7 Ru | P -1 | 10.672; 12.45; 14.069 73.26; 75.03; 65.11 | 1603.6 | G. Fachinetti; T. Funaioli; F. Marchetti The Ethene Hydroformylation with CO/H~2~O: Nucleophilic Attack by Water onto a Terminal CO of a Ru(II) Acylcarbonyl Complex Chemical Communications, 2005 |
| 7100033 | CIF | C30 H42 O12 | P 1 21/n 1 | 10.9525; 11.207; 25.0146 90; 97.6555; 90 | 3043.06 | Feihe Huang; Matthew Lam; Eric J. Mahan; Arnold L. Rheingold; Harry W. Gibson Host folding during the formation of a taco complex Chemical Communications, 2005 |
| 7100034 | CIF | C29 H39 O11 | P -1 | 10.3115; 11.0844; 13.8563 76.203; 70.914; 83.447 | 1452.4 | Chemical Communications, 2005 |
| 7100035 | CIF | C47 H67 F12 N2 O13 P2 | P -1 | 11.6764; 15.9293; 16.8706 62.902; 83.88; 73.69 | 2680.1 | Chemical Communications, 2005 |
| 7100036 | CIF | C78 H60 D6 N3 P6 Se6 U | R -3 c :H | 15.1699; 15.1699; 56.846 90; 90; 120 | 11329.1 | A.J. Gaunt; B.L. Scott; M.P. Neu Homoleptic uranium(III) imidodiphoshinochalcogenides including the first structurally characterised molecular trivalent actinide-Se bond Chemical Communications, 2005 |
| 7100037 | CIF | C79 H68 N3 P6 S6 U | R -3 c :H | 15.0066; 15.0066; 56.107 90; 90; 120 | 10942.4 | Chemical Communications, 2005 |
| 7100038 | CIF | C19 H19 N O | P 1 21/c 1 | 10.002; 13.135; 10.948 90; 92.825; 90 | 1436.56 | R.E. Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan Bimetallic Catalytic Synthesis of Annelated Benzazepines Chemical Communications, 2005 |
| 7100039 | CIF | C26 H25 N | P n a 21 | 10.374; 19.283; 9.733 90; 90; 90 | 1947.01 | R.E.Grigg; Laura Cleghorn; Colin Kilner; William S. MacLachlan; V. Sridharan Bimetallic Catalytic Synthesis of Annelated Benzazepines Chemical Communications, 2005 |
| 7100040 | CIF | C60 H104 Ag4 Cl4 N8 O4 | P 1 | 9.3318; 11.08; 18.816 105.54; 97.78; 94.74 | 1842.6 | Elena Fernandez; Rosa Corberan; Eduardo Peris; Jesus Ramirez; Mercedes Sanau Unprecedented use of silver(I) N-heterocyclic carbene complexes for the catalytic preparation of 1,2-bis(boronate)esters Chemical Communications, 2005 |
| 7100041 | CIF | C38 H27 Au Cl2 N2 | P -1 | 10.052; 10.463; 16.117 82.04; 84.82; 66.02 | 1532.8 | Vivian Yam; Ling-Ling Hung; Hoi-Sing Kwok; Keith Man-Chung Wong; Nianyong Zhu; Xiuling Zhu A novel class of phosphorescent gold(III) alkynyl-based organic light emitting devices with tunable colour Chemical Communications, 2005 |
| 7100044 | CIF | C9 H21 Ag N2 O3.5 | C 1 2/c 1 | 21.5739; 9.8443; 15.7727 90; 125.341; 90 | 2732.5 | Dario Braga; Marco Curzi; F. Grepioni; Marco Polito Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+} Chemical Communications, 2005 |
| 7100045 | CIF | C8 H25 Ag N2 O6 | P -1 | 8.7808; 12.81; 13.706 95.35; 90.898; 108.9 | 1450.5 | Dario Braga; Marco Curzi; F. Grepioni; Marco Polito Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+} Chemical Communications, 2005 |
| 7100046 | CIF | C8 H23 Ag N2 O5 | P -1 | 6.108; 10.18; 11.849 105.91; 97.78; 99.37 | 686.4 | Dario Braga; Marco Curzi; F. Grepioni; Marco Polito Mechanochemical and Solution Reactions Between AgCH3COO and [H2NC6H10NH2] Yield Three Isomers of the Coordination Network {Ag[H2NC6H10NH2]+} Chemical Communications, 2005 |
| 7100047 | CIF | C56 H58 N4 O16 V | C 1 2/m 1 | 16.297; 27.009; 8.878 90; 115.11; 90 | 3538.5 | Chi Ming Che.; Nancy P. Y. Chung; Chen-Lung Li.; Raymond Sun.; Suk-Yu Wong. Physiologically Stable Vanadium(IV) Porphyrins as a New Class of Anti-HIV Agents Chemical Communications, 2005 |
| 7100048 | CIF | C8 H25 Ga2 N3 | P 21 21 21 | 6.1939; 12.977; 17.601 90; 90; 90 | 1414.8 | Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo Mono- and digallane complexes of a tridentate amido-diamine ligand Chemical Communications, 2005 |
| 7100049 | CIF | C8 H22 Ga N3 | P b c n | 11.01; 11.706; 9.4523 90; 90; 90 | 1218.2 | Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo Mono- and digallane complexes of a tridentate amido-diamine ligand Chemical Communications, 2005 |
| 7100050 | CIF | C109 H111 Cl6 N14 O6 P Zn3 | P -1 | 14.4818; 17.0579; 23.2334 78.2385; 87.6536; 71.2122 | 5317.55 | J. Reek; Arjan W. Kleij; Martin Lutz; Anthony L. Spek; van Leeuwen,Piet W.N.M Encapsulated Transition Metal Catalysts Comprising Peripheral Zn(II)salen Building Blocks: Template-Controlled Reactivity and Selectivity in Hydroformylation Catalysis Chemical Communications, 2005 |
| 7100051 | CIF | C181.25 H274.25 Ag F37.5 N29.25 Ni21 O72.25 | P 1 21/c 1 | 48.308; 15.6944; 38.405 90; 106.099; 90 | 27975 | Richard Winpenny; Guillem Aromi; Aiden Bell; S. J. Teat Synthesis and Characterisation of a {Ni21Ag} Cage Chemical Communications, 2005 |
| 7100052 | CIF | C27 H20 N6 O10 | P -1 | 7.7602; 15.269; 22.456 82.064; 81.61; 78.915 | 2566.7 | C. Aakeroy; John Desper; Joaquin F. Urbina Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis Chemical Communications, 2005 |
| 7100053 | CIF | C29 H26 N6 O8 | P -1 | 8.1324; 10.811; 15.3761 95.489; 90.318; 91.503 | 1345.2 | C. Aakeroy; John Desper; Joaquin F. Urbina Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis Chemical Communications, 2005 |
| 7100054 | CIF | C28 H22 N6 O10 | P 1 21/c 1 | 7.7318; 7.0062; 49.395 90; 91.012; 90 | 2675.3 | C. Aakeroy; John Desper; Joaquin F. Urbina Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis Chemical Communications, 2005 |
| 7100055 | CIF | C16 H4 F12 N2 O8 Rh2 | C 1 2/c 1 | 19.411; 16.879; 8.348 90; 114.91; 90 | 2481 | Marina Petrukhina; Vladimir V. Chernyshev; Evgeny V. Dikarev; Bo Li.; Roman V. Shpanchenko Coordination Polymers Formed in Solution and in Solvent-Free Environment. Structural Transformation due to Interstitial Solvent Removal Revealed by X-ray Powder Diffraction Chemical Communications, 2005 |
| 7100056 | CIF | C27 H15.5 Cl F12 N2 O8 Rh2 | P n m a | 16.3302; 24.7253; 8.7079 90; 90; 90 | 3516 | Marina Petrukhina; Vladimir V. Chernyshev; Evgeny V. Dikarev; Bo Li.; Roman V. Shpanchenko Coordination Polymers Formed in Solution and in Solvent-Free Environment. Structural Transformation due to Interstitial Solvent Removal Revealed by X-ray Powder Diffraction Chemical Communications, 2005 |
| 7100057 | CIF | C70 H96 Cl2 O P2 Pd | P b c a | 25.241; 20.053; 26.004 90; 90; 90 | 13162 | P.W.N.M.Van Leeuwen; Maria Caporali; Christian Mueller; Anthony L. Spek; Bastiaan B. P. Staal; D.M. Tooke New diphosphine ligands based on diphenyl ether for the Pd-catalyzed CO/ethene copolymerization Chemical Communications, 2005 |
| 7100058 | CIF | C12 H6 N4 S3 | P 1 21/c 1 | 4.941; 17.81; 13.56 90; 90.62; 90 | 1193 | Md. Akhtaruzzman; N. Kamata; J.-I. Nishida; S. Ando; H. Tada; M. Tomura; Y. Yamashita Syntheis, Characterization, and FET Properties of Novel Dithiazolylbenzothiadiazole Derivatives Chemical Communications, 2005 |
| 7100059 | CIF | C23 H22 N4 O | P -1 | 7.3267; 10.4025; 13.6141 82.523; 76.069; 82.898 | 993.93 | Philip Gale; Mark E. Light; Beth A. McNally; Korakot Navakhun; Kate E. Sliwinski; Bradley Smith Co-transport of H+/Cl- by a synthetic prodigiosin mimic Chemical Communications, 2005 |
| 7100060 | CIF | C23 H25 Cl N4 O2 | C 1 2/c 1 | 35.854; 6.249; 22.02 90; 120.62; 90 | 4246 | Philip Gale; Mark E. Light; Beth A. McNally; Korakot Navakhun; Kate E. Sliwinski; Bradley Smith Co-transport of H+/Cl- by a synthetic prodigiosin mimic Chemical Communications, 2005 |
| 7100061 | CIF | C56 H93 N3 O6 | P 1 21/c 1 | 12.9; 22.217; 19.4755 90; 94.224; 90 | 5566.5 | John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination Chemical Communications, 2005 |
| 7100062 | CIF | C36 H66.11 Cl1.16 N3.5 O2.5 Zn | P -1 | 12.5854; 16.2134; 20.695 77.408; 86.846; 79.32 | 4049.5 | John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination Chemical Communications, 2005 |
| 7100063 | CIF | C120 H149.5 Ag2 N7 O10 | P 1 21/c 1 | 22.133; 20.811; 23.42 90; 103.438; 90 | 10492 | John Ripmeester; Philip Brown; Gary D. Enright; Konstantin A. Udachin Extending the chemistry of p-t-butylcalix[4]arene with H-bonding and secondary coordination Chemical Communications, 2005 |
| 7100064 | CIF | C49 H73 N7 O19 S4 | C 1 2 1 | 32.684; 20.741; 8.9393 90; 95.263; 90 | 6034.4 | Bing Gong.; Yu An.; Wen Feng.; Oksana Gerlitz; Lan He.; Kazuhiro Yamato; Lihua Yuan.; Chong Zheng. Macrocyclic aromatic tetrasulfonamides with a stable cone conformation Chemical Communications, 2005 |
| 7100065 | CIF | C21.5 H49 S3 Sc Si3 | C 1 2/c 1 | 20.0776; 15.6656; 20.0619 90; 100.029; 90 | 6213.6 | Philip Mountford; Fanny Bonnet; A. R. Cowley; Cara S. Tredget The first rare earth organometallic complex of 1,4,7-trithiacyclononane: a precursor to unique cationic ethylene and alpha-olefin polymerisation catalysts supported by an all-sulfur donor ligand Chemical Communications, 2005 |
| 7100066 | CIF | C34 H46 Fe N3 | P -1 | 16.0725; 16.2819; 17.0074 86.074; 64.426; 62.003 | 3494.2 | Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch Square planar bis(imino)pyridine iron halide and alkyl complexes Chemical Communications, 2005 |
| 7100067 | CIF | C41 H65 Fe N3 Si2 | P b c a | 15.8771; 20.0007; 26.177 90; 90; 90 | 8312.6 | Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch Square planar bis(imino)pyridine iron halide and alkyl complexes Chemical Communications, 2005 |
| 7100068 | CIF | C33 H45 Cl Fe N3 O | P 1 21/n 1 | 13.1161; 19.2048; 13.5204 90; 115.146; 90 | 3082.9 | Paul Chirik; Suzanne C. Bart; Marco W. Bouwkamp; Eric J. Hawrelak; Emil Lobkovsky; Ryan J. Trovitch Square planar bis(imino)pyridine iron halide and alkyl complexes Chemical Communications, 2005 |
| 7100069 | CIF | C48 H76 Mn8 N4 O28 | P 1 21/c 1 | 9.753; 27.559; 25.86 90; 115.621; 90 | 6267 | Chemical Communications, 2005 |
| 7100070 | CIF | C32 H38 N2 O6 | P 21 21 21 | 9.7328; 13.7878; 22.0639 90; 90; 90 | 2960.8 | Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts Chemical Communications, 2005 |
| 7100071 | CIF | C32 H38 N2 O6 | P 1 21 1 | 11.372; 9.4378; 13.8177 90; 97.694; 90 | 1469.66 | Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts Chemical Communications, 2005 |
| 7100072 | CIF | C104 H112 Mn8 N16 O16 | P -1 | 16.078; 16.328; 19.889 81.583; 82.687; 77.143 | 5011.2 | J. Reedijk; Guillem Aromi; E. Bouwman; Huub Kooijman; A. Spek; Stefania Tanase New routes to manganese higher-nuclearity topologies: Synthesis of the Cluster [Mn8(μ4-O)4(phpz)8(thf)4]. Chemical Communications, 2005 |
| 7100073 | CIF | C4.95 Eu8 I6.1 N9.9 | C 1 2/m 1 | 18.321; 10.6557; 16.405 90; 122.95; 90 | 2687.5 | Richard Dronskowski; Boniface P. T. Fokwa; Wuping Liao Eu8(NCN)5-δI6+2δ (δ = 0.05): a novel rare-earth carbodiimide iodide containing oligomeric tritetrahedral Eu8 clusters Chemical Communications, 2005 |
| 7100074 | CIF | C40 H63 Cs O5 Ti3 | P 21 21 21 | 13.396; 15.694; 20.544 90; 90; 90 | 4319 | Miguel Mena; Octavio Gonzalez-del Moral; Avelino Martin; Maria del Carmen Morales-Varela; Cristina Santamaria Hydrocarbon species μ3-CCH2-, μ3-CCH3 and μ-CHCH3 supported on Ti3O3 Chemical Communications, 2005 |
| 7100075 | CIF | C36 H58 O4 Ti3 | P b c a | 17.575; 22.434; 38.629 90; 90; 90 | 15231 | Chemical Communications, 2005 |
| 7100076 | CIF | C47 H52 Cl2 N8 O14 Zn2 | C 1 2/c 1 | 11.909; 17.257; 23.92 90; 97.09; 90 | 4878.6 | L. MacGillivray; Tomisla Friscic; Ivan G. Georgiev; Giannis S. Papaefstathiou Directed assembly and reactivity of olefins within a one-dimensional ladder-like coordination polymer based on a dinuclear Zn(II) platform. Chemical Communications, 2005 |
| 7100077 | CIF | H422 K26 Mo72 Na8 O542 S12 V31 | C 1 2/c 1 | 47.177; 42.46; 26.4971 90; 90.134; 90 | 53078 | Botar, Bogdan; Kögerler, Paul; Hill, Craig L. [{(Mo)Mo5O21(H2O)3(SO4)}12(VO)30(H2O)20]36-: A molecular quantum spin icosidodecahedron. Chemical communications (Cambridge, England), 2005, 3138-3140 |
| 7100078 | CIF | C37 H54 N3 O2 Ti | R -3 :H | 15.7365; 15.7365; 24.686 90; 90; 120 | 5294.1 | C. Cummins; Joshua S. Figueroa; Arjun Mendiratta Synthesis of a four-coordinate titanium(IV) oxoanion via deprotonation and decarbonylation of complexed formate Chemical Communications, 2005 |
| 7100079 | CIF | C44 H68 Li N3 O3 Ti | P 21 21 21 | 13.3553; 13.3843; 25.8835 90; 90; 90 | 4626.7 | C. Cummins; Joshua S. Figueroa; Arjun Mendiratta Synthesis of a four-coordinate titanium(IV) oxoanion via deprotonation and decarbonylation of complexed formate Chemical Communications, 2005 |
| 7100080 | CIF | C36 H33 B3 N6 | R -3 c :H | 14.818; 14.818; 24.856 90; 90; 120 | 4726.5 | Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu. Borazine Materials for Organic Optoelectronic Applications Chemical Communications, 2005 |
| 7100081 | CIF | C18 H18 B3 N3 | P n a 21 | 7.904; 19.879; 10.989 90; 90; 90 | 1726.6 | Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu. Borazine Materials for Organic Optoelectronic Applications Chemical Communications, 2005 |
| 7100082 | CIF | C48 H55 B F20 N6 Si Ti | P -1 | 11.9619; 12.7619; 17.984 75.5723; 80.1952; 86.9238 | 2619.78 | Philip Mountford; Paul D. Bolton; Eric Clot; Andrew R. Cowley Well-defined imidotitanium alkyl cations: alpha-C-H or beta-Si-C agostic interactions, migratory insertion vs [2+2] cycloaddition, and the first structurally authenticated AlMe3 adduct of any transition metal alkyl cation Chemical Communications, 2005 |
| 7100083 | CIF | C42 H44 Al B Cl2 F20 N4 Ti | P 1 21/n 1 | 13.7837; 19.5766; 18.6673 90; 109.756; 90 | 4740.67 | Chemical Communications, 2005 |
| 7100084 | CIF | C44 H56 B11 P2 Rh | P -1 | 9.866; 13.342; 17.731 83.592; 75.742; 78.438 | 2211.41 | Eduardo Molinos; Gabriele Kociok-Kohn; Andrew S. Weller Polyethyl Substituted Weakly Coordinating Carborane Anions: A Sequential Dehydrogenative Borylation/Hydrogenation Route Chemical Communications, 2005 |
| 7100085 | CIF | C54 H70 B11 P2 Rh | P 1 21/c 1 | 16.738; 18.091; 18.571 90; 111.618; 90 | 5227.88 | Eduardo Molinos; Gabriele Kociok-Kohn; Andrew S. Weller Polyethyl Substituted Weakly Coordinating Carborane Anions: A Sequential Dehydrogenative Borylation/Hydrogenation Route Chemical Communications, 2005 |
| 7100086 | CIF | C9 H17 B F6 N4 O4 S2 | P -1 | 9.1544; 10.1383; 10.7424 77.628; 72.26; 80.393 | 922 | J.Davies Junior; Eugene A. Cioffi; Phillip A. Fox; Scott T. Griffin; W. Matthew Reichert; R.D. Rogers; Alan Salter; Ashley B. Smith; Morgan D. Tickell; Benjamin F. Wicker; Andrzej Wierzbicki Putting an old wine into a new bottle: Room-temperature ionic liquids based upon (N-alkylimidazole)(amine)BH2+ boronium ions Chemical Communications, 2005 |
| 7100087 | CIF | C10 H12 F6 O6 | P 1 21/c 1 | 7.1113; 5.0864; 18.142 90; 98.398; 90 | 649.17 | Satoshi Takahashi; Toshimasa Katagiri; Kenji Uneyama A binary hydrogen bonding system based on homochiral recognition: Crystal structures and hydrogen bonding networks of meso-(R,S)-bis(trifluorolactate)s Chemical Communications, 2005 |
| 7100088 | CIF | C11 H14 F6 O6 | P n a 21 | 15.4; 18.79; 5.045 90; 90; 90 | 1460 | Chemical Communications, 2005 |
| 7100089 | CIF | C12 H16 F6 O6 | C 1 2/c 1 | 19.891; 5.1138; 15.605 90; 100.918; 90 | 1558.6 | Chemical Communications, 2005 |
| 7100090 | CIF | C13 H18 F6 O6 | P n m a | 15.613; 21.793; 5.0901 90; 90; 90 | 1731 | Chemical Communications, 2005 |
| 7100091 | CIF | C14 H20 F6 O6 | P -1 | 5.1196; 10.895; 17.165 72.489; 89.576; 85.41 | 910 | Chemical Communications, 2005 |
| 7100092 | CIF | C21 H36 F6 O6 | P n m a | 15.7479; 27.1355; 5.0309 90; 90; 90 | 2149.84 | Chemical Communications, 2005 |
| 7100093 | CIF | C15 H22 F6 O6 | P 1 21/c 1 | 5.3266; 20.331; 16.967 90; 94.52; 90 | 1831.8 | Chemical Communications, 2005 |
| 7100094 | CIF | C75 H102 N12 P6 | P -1 | 16.803; 16.913; 17.229 61.92; 77.82; 64.56 | 3900.9 | D. S. Wright; Fay Dodds; Felipe Garcia; Richard A. Kowenicki; M. McPartlin; A. Steiner Synthesis and Structure of the Calixarene-like > Phosph(III)azane Macrocycle [{P(mu-NtBu)}2{1,5-(NH)2C10H6}]3 Chemical Communications, 2005 |
| 7100095 | CIF | C20 H22 O3 | P 1 21/c 1 | 12.644; 9.115; 14.429 90; 106.578; 90 | 1593.7 | Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity Chemical Communications, 2005 |
| 7100096 | CIF | C21 H18 O3 | C 1 c 1 | 6.265; 20.618; 25.042 90; 97.062; 90 | 3210 | Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity Chemical Communications, 2005 |
| 7100097 | CIF | C17 H18 O3 | P 1 21/c 1 | 11.322; 9.237; 13.982 90; 103.01; 90 | 1424.8 | Sengodagounder Muthusamy; Janagiraman Krishnamurthi; Munirathinam Nethaji Highly regio-, chemo- and diastereoselective synthesis of epoxy-bridged spirocycles: A novel observation of reverse selectivity Chemical Communications, 2005 |
| 7100098 | CIF | C47 H51 P2 Pt | P 1 21/n 1 | 17.2027; 10.3525; 23.4504 90; 108.608; 90 | 3957.98 | John Moss; Katja Dralle; Nastassia L. Jaffa; le Roex,Tanya; Akella Sivaramakrishna; Susan Travis; Nicholas D. Watermeyer A new route to metallacycloalkanes Chemical Communications, 2005 |
| 7100099 | CIF | C42 H40 P2 Pt | P -1 | 10.1405; 10.3988; 17.2796 94.001; 106.261; 103.161 | 1685.81 | John Moss; Katja Dralle; Nastassia L. Jaffa; le Roex,Tanya; Akella Sivaramakrishna; Susan Travis; Nicholas D. Watermeyer A new route to metallacycloalkanes Chemical Communications, 2005 |
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