Crystallography Open Database

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7100050 CIFC109 H111 Cl6 N14 O6 P Zn3P -114.4818; 17.0579; 23.2334
78.2385; 87.6536; 71.2122
5317.55J. 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 CIFC181.25 H274.25 Ag F37.5 N29.25 Ni21 O72.25P 1 21/c 148.308; 15.6944; 38.405
90; 106.099; 90
27975Richard Winpenny; Guillem Aromi; Aiden Bell; S. J. Teat
Synthesis and Characterisation of a {Ni21Ag} Cage
Chemical Communications, 2005
7100052 CIFC27 H20 N6 O10P -17.7602; 15.269; 22.456
82.064; 81.61; 78.915
2566.7C. Aakeroy; John Desper; Joaquin F. Urbina
Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis
Chemical Communications, 2005
7100053 CIFC29 H26 N6 O8P -18.1324; 10.811; 15.3761
95.489; 90.318; 91.503
1345.2C. Aakeroy; John Desper; Joaquin F. Urbina
Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis
Chemical Communications, 2005
7100054 CIFC28 H22 N6 O10P 1 21/c 17.7318; 7.0062; 49.395
90; 91.012; 90
2675.3C. Aakeroy; John Desper; Joaquin F. Urbina
Supramolecular Reagents: Versatile Tools for Non-covalent Synthesis
Chemical Communications, 2005
7100055 CIFC16 H4 F12 N2 O8 Rh2C 1 2/c 119.411; 16.879; 8.348
90; 114.91; 90
2481Marina 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 CIFC27 H15.5 Cl F12 N2 O8 Rh2P n m a16.3302; 24.7253; 8.7079
90; 90; 90
3516Marina 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 CIFC70 H96 Cl2 O P2 PdP b c a25.241; 20.053; 26.004
90; 90; 90
13162P.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 CIFC12 H6 N4 S3P 1 21/c 14.941; 17.81; 13.56
90; 90.62; 90
1193Md. 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 CIFC23 H22 N4 OP -17.3267; 10.4025; 13.6141
82.523; 76.069; 82.898
993.93Philip 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 CIFC23 H25 Cl N4 O2C 1 2/c 135.854; 6.249; 22.02
90; 120.62; 90
4246Philip 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 CIFC56 H93 N3 O6P 1 21/c 112.9; 22.217; 19.4755
90; 94.224; 90
5566.5John 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 CIFC36 H66.11 Cl1.16 N3.5 O2.5 ZnP -112.5854; 16.2134; 20.695
77.408; 86.846; 79.32
4049.5John 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 CIFC120 H149.5 Ag2 N7 O10P 1 21/c 122.133; 20.811; 23.42
90; 103.438; 90
10492John 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 CIFC49 H73 N7 O19 S4C 1 2 132.684; 20.741; 8.9393
90; 95.263; 90
6034.4Bing 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 CIFC21.5 H49 S3 Sc Si3C 1 2/c 120.0776; 15.6656; 20.0619
90; 100.029; 90
6213.6Philip 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 CIFC34 H46 Fe N3P -116.0725; 16.2819; 17.0074
86.074; 64.426; 62.003
3494.2Paul 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 CIFC41 H65 Fe N3 Si2P b c a15.8771; 20.0007; 26.177
90; 90; 90
8312.6Paul 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 CIFC33 H45 Cl Fe N3 OP 1 21/n 113.1161; 19.2048; 13.5204
90; 115.146; 90
3082.9Paul 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 CIFC48 H76 Mn8 N4 O28P 1 21/c 19.753; 27.559; 25.86
90; 115.621; 90
6267Chemical Communications, 2005
7100070 CIFC32 H38 N2 O6P 21 21 219.7328; 13.7878; 22.0639
90; 90; 90
2960.8Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita
Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts
Chemical Communications, 2005
7100071 CIFC32 H38 N2 O6P 1 21 111.372; 9.4378; 13.8177
90; 97.694; 90
1469.66Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita
Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts
Chemical Communications, 2005
7100072 CIFC104 H112 Mn8 N16 O16P -116.078; 16.328; 19.889
81.583; 82.687; 77.143
5011.2J. 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 CIFC4.95 Eu8 I6.1 N9.9C 1 2/m 118.321; 10.6557; 16.405
90; 122.95; 90
2687.5Richard 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 CIFC40 H63 Cs O5 Ti3P 21 21 2113.396; 15.694; 20.544
90; 90; 90
4319Miguel 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 CIFC36 H58 O4 Ti3P b c a17.575; 22.434; 38.629
90; 90; 90
15231Chemical Communications, 2005
7100076 CIFC47 H52 Cl2 N8 O14 Zn2C 1 2/c 111.909; 17.257; 23.92
90; 97.09; 90
4878.6L. 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 CIFH422 K26 Mo72 Na8 O542 S12 V31C 1 2/c 147.177; 42.46; 26.4971
90; 90.134; 90
53078Botar, 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 CIFC37 H54 N3 O2 TiR -3 :H15.7365; 15.7365; 24.686
90; 90; 120
5294.1C. 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 CIFC44 H68 Li N3 O3 TiP 21 21 2113.3553; 13.3843; 25.8835
90; 90; 90
4626.7C. 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 CIFC36 H33 B3 N6R -3 c :H14.818; 14.818; 24.856
90; 90; 120
4726.5Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.
Borazine Materials for Organic Optoelectronic Applications
Chemical Communications, 2005
7100081 CIFC18 H18 B3 N3P n a 217.904; 19.879; 10.989
90; 90; 90
1726.6Chi-ming Che.; Chi-Chung Kwok.; Iona H. T. Sham; Nianyong Zhu.
Borazine Materials for Organic Optoelectronic Applications
Chemical Communications, 2005
7100082 CIFC48 H55 B F20 N6 Si TiP -111.9619; 12.7619; 17.984
75.5723; 80.1952; 86.9238
2619.78Philip 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 CIFC42 H44 Al B Cl2 F20 N4 TiP 1 21/n 113.7837; 19.5766; 18.6673
90; 109.756; 90
4740.67Chemical Communications, 2005
7100084 CIFC44 H56 B11 P2 RhP -19.866; 13.342; 17.731
83.592; 75.742; 78.438
2211.41Eduardo Molinos; Gabriele Kociok-Kohn; Andrew S. Weller
Polyethyl Substituted Weakly Coordinating Carborane Anions: A Sequential Dehydrogenative Borylation/Hydrogenation Route
Chemical Communications, 2005
7100085 CIFC54 H70 B11 P2 RhP 1 21/c 116.738; 18.091; 18.571
90; 111.618; 90
5227.88Eduardo Molinos; Gabriele Kociok-Kohn; Andrew S. Weller
Polyethyl Substituted Weakly Coordinating Carborane Anions: A Sequential Dehydrogenative Borylation/Hydrogenation Route
Chemical Communications, 2005
7100086 CIFC9 H17 B F6 N4 O4 S2P -19.1544; 10.1383; 10.7424
77.628; 72.26; 80.393
922J.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 CIFC10 H12 F6 O6P 1 21/c 17.1113; 5.0864; 18.142
90; 98.398; 90
649.17Satoshi 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 CIFC11 H14 F6 O6P n a 2115.4; 18.79; 5.045
90; 90; 90
1460Chemical Communications, 2005
7100089 CIFC12 H16 F6 O6C 1 2/c 119.891; 5.1138; 15.605
90; 100.918; 90
1558.6Chemical Communications, 2005
7100090 CIFC13 H18 F6 O6P n m a15.613; 21.793; 5.0901
90; 90; 90
1731Chemical Communications, 2005
7100091 CIFC14 H20 F6 O6P -15.1196; 10.895; 17.165
72.489; 89.576; 85.41
910Chemical Communications, 2005
7100092 CIFC21 H36 F6 O6P n m a15.7479; 27.1355; 5.0309
90; 90; 90
2149.84Chemical Communications, 2005
7100093 CIFC15 H22 F6 O6P 1 21/c 15.3266; 20.331; 16.967
90; 94.52; 90
1831.8Chemical Communications, 2005
7100094 CIFC75 H102 N12 P6P -116.803; 16.913; 17.229
61.92; 77.82; 64.56
3900.9D. 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 CIFC20 H22 O3P 1 21/c 112.644; 9.115; 14.429
90; 106.578; 90
1593.7Sengodagounder 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 CIFC21 H18 O3C 1 c 16.265; 20.618; 25.042
90; 97.062; 90
3210Sengodagounder 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 CIFC17 H18 O3P 1 21/c 111.322; 9.237; 13.982
90; 103.01; 90
1424.8Sengodagounder 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 CIFC47 H51 P2 PtP 1 21/n 117.2027; 10.3525; 23.4504
90; 108.608; 90
3957.98John 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 CIFC42 H40 P2 PtP -110.1405; 10.3988; 17.2796
94.001; 106.261; 103.161
1685.81John 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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