Crystallography Open Database

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4100129 CIFC29 F8 O4 PP b c n12.73; 14.609; 17.689
90; 90; 90
3289.7Akiba, Kin-ya; Moriyama, Yuji; Mizozoe, Mitsuhiro; Inohara, Hideki; Nishii, Takako; Yamamoto, Yohsuke; Minoura, Mao; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Ishimura, Kazuya; Nagase, Shigeru
Synthesis and Characterization of Stable Hypervalent Carbon Compounds (10-C-5) Bearing a 2,6-Bis(p-substituted phenyloxymethyl)benzene Ligand
Journal of the American Chemical Society, 2005, 127, 5893-5901
4100284 CIFC39 H55 Cl2 Co N3 O3.5P b c n35.52; 11.5844; 18.7071
90; 90; 90
7697.6Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C.
Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation
Journal of the American Chemical Society, 2005, 127, 13955-13968
4100554 CIFC124.5 H113 Cl5 F12 N4 P10 Ru2P b c n36.569; 13.3334; 26.1782
90; 90; 90
12764.2Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.
Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge
Journal of the American Chemical Society, 2005
4100678 CIFC60 H108 Ir8 O12 P4 Pt4P b c n41.4988; 27.064; 25.7975
90; 90; 90
28973.8Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi
Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
Journal of the American Chemical Society, 2005
4100801 CIFC35 H28 O SiP b c n41.7907; 7.5006; 17.4735
90; 90; 90
5477.16A. J. Boydston; Youshi Yin; Brian L. Pagenkopf
Synthesis and Electronic Properties of Donor-Acceptor π-Conjugated Siloles
Journal of the American Chemical Society, 2004, 126, 3724-3725
4100807 CIFC22 H18 Co N8 O8P b c n18.3004; 10.759; 11.458
90; 90; 90
2255.9Kazuhiro Uemura; Susumu Kitagawa; Kôichi Fukui; Kazuya Saito
A Contrivance for a Dynamic Porous Framework: Cooperative Guest Adsorption Based on Square Grids Connected by Amide-Amide Hydrogen Bonds
Journal of the American Chemical Society, 2004, 126, 3817-3828
4101564 CIFC50.5 H74 F3 Fe N O4 P2 Pd SP b c n25.226; 14.078; 28.556
90; 90; 90
10141Shen, Qilong; Hartwig, John F
Palladium-catalyzed coupling of ammonia and lithium amide with aryl halides.
Journal of the American Chemical Society, 2006, 128, 10028-10029
4101819 CIFC82 H84 F12 N8 O14 P2 S4P b c n27.177; 21.223; 27.88
90; 90; 90
16081Dennis Cao; Matteo Amelia; Liana M. Klivansky; Gayane Koshkakaryan; Saeed I. Khan; Monica Semeraro; Serena Silvi; Margherita Venturi; Alberto Credi; Yi Liu
Probing Donor-Acceptor Interactions and Co-Conformational Changes in Redox Active Desymmetrized [2]Catenanes
Journal of the American Chemical Society, 2010, 132, 1110-1122
4102219 CIFC10 H10 N2 O4P b c n11.65; 5.8419; 15.9102
90; 90; 90
1082.82Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore
Masked Cyanoacrylates Unveiled by Mechanical Force
Journal of the American Chemical Society, 2010, 132, 4558-4559
4102245 CIFC20 H18 Fe0.5 N1.5 O3 PP b c n13.3838; 16.0477; 17.3339
90; 90; 90
3723Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw
Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways
Journal of the American Chemical Society, 2010, 132, 5290-5299
4102737 CIFC57 H58 N4 O8 S2P b c n10.055; 12.875; 37.899
90; 90; 90
4906Benjamin J. Coe; John Fielden; Simon P. Foxon; James A. Harris; Madeleine Helliwell; Bruce S. Brunschwig; Inge Asselberghs; Koen Clays; Javier Garín; Jesús Orduna
Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability
Journal of the American Chemical Society, 2010, 132, 10498-10512
4103216 CIFC25 H35 N O3 SP b c n24.2849; 8.0847; 24.1022
90; 90; 90
4732.1Petr Valenta; Patrick J. Carroll; Patrick J. Walsh
Stereoselective Synthesis of β-Hydroxy Enamines, Aminocyclopropanes, and 1,3-Amino Alcohols via Asymmetric Catalysis
Journal of the American Chemical Society, 2010, 132, 14179-14190
4103380 CIFC45 H33 Cl6 Mn N4 O4P b c n38.806; 15.342; 14.647
90; 90; 90
8720Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross
Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides
Journal of the American Chemical Society, 2010, 132, 15233-15245
4103456 CIFC47 H39.5 Cl6 O6.75P b c n51.168; 10.0144; 25.099
90; 90; 90
12861Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault
A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift
Journal of the American Chemical Society, 2010, 132, 15505-15507
4103457 CIFC47 H38 Cl6 O6P b c n51.168; 10.0144; 25.099
90; 90; 90
12861Robert M. Fairchild; Akil I. Joseph; K. Travis Holman; Heather A. Fogarty; Thierry Brotin; Jean-Pierre Dutasta; Céline Boutin; Gaspard Huber; Patrick Berthault
A Water-Soluble Xe@cryptophane-111 Complex Exhibits Very High Thermodynamic Stability and a Peculiar 129Xe NMR Chemical Shift
Journal of the American Chemical Society, 2010, 132, 15505-15507
4103550 CIFC27 H38 B3 N5 OP b c n17.5388; 17.3342; 18.8857
90; 90; 90
5741.7Eric R. Abbey; Lev N. Zakharov; Shih-Yuan Liu
Electrophilic Aromatic Substitution of a BN Indole
Journal of the American Chemical Society, 2010, 132, 16340-16342
4103574 CIFC16 H17 Cl N12 O2P b c n6.8414; 25.756; 10.444
90; 90; 90
1840.3Matthew W. Powner; John D. Sutherland; Jack W. Szostak
Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water
Journal of the American Chemical Society, 2010, 132, 16677-16688
4103992 CIFC50 H42P b c n21.051; 19.381; 9.0189
90; 90; 90
3679.6Zerubba U. Levi; T. Don Tilley
Versatile Synthesis of Pentalene Derivatives via the Pd-Catalyzed Homocoupling of Haloenynes
Journal of the American Chemical Society, 2009, 131, 2796-2797
4104322 CIFC10 H28 Al2 Ge7 N2 O18P b c n15.578; 9.1704; 19.993
90; 90; 90
2856.1Jie Su; Yingxia Wang; Zheming Wang; Jianhua Lin
PKU-9: An Aluminogermanate with a New Three-Dimensional Zeolite Framework Constructed from CGS Layers and Spiro-5 Units
Journal of the American Chemical Society, 2009, 131, 6080-6081
4104337 CIFC15 H18 Cl F3 O2P b c n24.797; 13.229; 9.6376
90; 90; 90
3161.5Mahmud M. Hussain; Hongmei Li; Nusrah Hussain; Mercedes Ureña; Patrick J. Carroll; Patrick J. Walsh
Applications of 1-Alkenyl-1,1-Heterobimetallics in the Stereoselective Synthesis of Cyclopropylboronate Esters, Trisubstituted Cyclopropanols and 2,3-Disubstituted Cyclobutanones
Journal of the American Chemical Society, 2009, 131, 6516-6524
4104681 CIFC34 H54 B Li N2 O2P b c n12.58; 16.395; 16.766
90; 90; 90
3458Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki
Chemistry of Boryllithium: Synthesis, Structure, and Reactivity
Journal of the American Chemical Society, 2009, 131, 9600-9600
4104715 CIFHg2.39 Na5 Sn9.61P b c n12.9583; 10.9835; 12.9596
90; 90; 90
1844.51Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler
Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure
Journal of the American Chemical Society, 2009, 131, 10246-10252
4104716 CIFNa5 Sn9.72 Zn2.28P b c n12.7717; 10.8042; 12.7774
90; 90; 90
1763.13Siméon Ponou; Sung-Jin Kim; Thomas F. Fässler
Synthesis and Characterization of Na5M2+xSn10-x (x~ 0.5, M = Zn, Hg) - A Doped Tetrahedral Framework Structure
Journal of the American Chemical Society, 2009, 131, 10246-10252
4105267 CIFC23 H25 F6 N3 O5 PdP b c n22.0808; 16.6729; 14.5623
90; 90; 90
5361.1Paul A. Sibbald; Carolyn F. Rosewall; Rodney D. Swartz; Forrest E. Michael
Mechanism of N-Fluorobenzenesulfonimide Promoted Diamination and Carboamination Reactions: Divergent Reactivity of a Pd(IV) Species
Journal of the American Chemical Society, 2009, 131, 15945-15951
4105289 CIFC52 H90 O Pt Zn8P b c n17.2256; 17.7766; 18.5676
90; 90; 90
5685.63Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer
Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands
Journal of the American Chemical Society, 2009, 131, 16063-16077
4105621 CIFC20 H18 O3P b c n18.1916; 8.3327; 20.9582
90; 90; 90
3177John B. Biggins; Xiaofei Liu; Zhiyang Feng; Sean F. Brady
Metabolites from the Induced Expression of Cryptic Single Operons Found in the Genome of Burkholderia pseudomallei
Journal of the American Chemical Society, 2011, 133, 1638-1641
4105925 CIFC42.24 H42.1 Cl2.14 Ir N2 O5.62 SP b c n28.8523; 17.1852; 15.6207
90; 90; 90
7745.3Amedeo Santoro; Anton M. Prokhorov; Valery N. Kozhevnikov; Adrian C. Whitwood; Bertrand Donnio; J. A. Gareth Williams; Duncan W. Bruce
Emissive Metallomesogens Based on 2-Phenylpyridine Complexes of Iridium(III)
Journal of the American Chemical Society, 2011, 133, 5248-5251
4105946 CIFC34 H48 B F15 Si8 SnP b c n21.316; 25.165; 19.732
90; 90; 90
10585Henning Arp; Judith Baumgartner; Christoph Marschner; Thomas Müller
A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation
Journal of the American Chemical Society, 2011, 133, 5632-5635
4106141 CIFC58 H68 Mg2 N8 O4P b c n22.02; 20.7992; 23.3115
90; 90; 90
10676.6James W. Leeland; Fraser J. White; Jason B. Love
Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle
Journal of the American Chemical Society, 2011, 133, 7320-7323
4106424 CIFC121.08 H130.62 Cl6 Lu2 N23.54 O37P b c n22.88; 24.28; 25.54
90; 90; 90
14188Badr El Aroussi; Soumaila Zebret; Céline Besnard; Philippe Perrottet; Josef Hamacek
Rational Design of a Ternary Supramolecular System: Self-Assembly of Pentanuclear Lanthanide Helicates
Journal of the American Chemical Society, 2011, 133, 10764-10767
4106602 CIFC26 H12 N6 O8 Ru ZnP b c n17.0829; 40.0431; 13.3183
90; 90; 90
9110.4Caleb A. Kent; Demin Liu; Liqing Ma; John M. Papanikolas; Thomas J. Meyer; Wenbin Lin
Light Harvesting in Microscale Metal-Organic Frameworks by Energy Migration and Interfacial Electron Transfer Quenching
Journal of the American Chemical Society, 2011, 133, 12940-12943
4107041 CIFC14 H9 Cu N O5P b c n12.9805; 14.104; 25.6051
90; 90; 90
4687.7Jarrod F. Eubank; Lukasz Wojtas; Matthew R. Hight; Till Bousquet; Victor Ch. Kravtsov; Mohamed Eddaoudi
The Next Chapter in MOF Pillaring Strategies: Trigonal Heterofunctional Ligands To Access Targeted High-Connected Three Dimensional Nets, Isoreticular Platforms
Journal of the American Chemical Society, 2011, 133, 17532-17535
4107147 CIFC10 H10 N2 O4P b c n11.65; 5.8419; 15.9102
90; 90; 90
1082.82Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore
Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores
Journal of the American Chemical Society, 2011, 133, 18992-18998
4107337 CIFC42 H53 Cl Mo N2 O2P b c n10.4875; 17.2088; 21.1554
90; 90; 90
3818.1Soumya Sarkar; Adam R. Carlson; Melanie K. Veige; Joseph M. Falkowski; Khalil A. Abboud; Adam S. Veige
Synthesis, Characterization, and Reactivity of a d2, Mo(IV) Complex Supported by a New OCO-Trianionic Pincer Ligand
Journal of the American Chemical Society, 2008, 130, 1116-1117
4107387 CIFC17 H33 Mo N2 P3P b c n17.804; 15.736; 30.893
90; 90; 90
8655Guang Zhu; Keliang Pang; Gerard Parkin
New Modes for Coordination of Aromatic Heterocyclic Nitrogen Compounds to Molybdenum: Catalytic Hydrogenation of Quinoline, Isoquinoline, and Quinoxaline by Mo(PMe3)4H4
Journal of the American Chemical Society, 2008, 130, 1564-1565
4107415 CIFC75 H93 F3 N2 O7 P2 S UP b c n33.114; 20.457; 20.698
90; 90; 90
14021Trevor W. Hayton; Guang Wu
Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex
Journal of the American Chemical Society, 2008, 130, 2005-2014
4108209 CIFC56 H148 I8 Mn10 N8 O32P b c n25.5208; 16.2775; 26.0702
90; 90; 90
10829.9Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin
Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers
Journal of the American Chemical Society, 2008, 130, 11129-11139
4108546 CIFC52 H60 I2 N2 Na2 Zr2P b c n16.8732; 18.0144; 17.8583
90; 90; 90
5428.2Doris Pun; Christopher A. Bradley; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik
N2 Hydrogenation from Activated End-On Bis(indenyl) Zirconium Dinitrogen Complexes
Journal of the American Chemical Society, 2008, 130, 14046-14047
4108722 CIFC34 H54 B Li N2 O2P b c n12.58; 16.395; 16.766
90; 90; 90
3458Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki
Chemistry of Boryllithium: Synthesis, Structure, and Reactivity
Journal of the American Chemical Society, 2008, 130, 16069-16079
4108814 CIFC21 H35 Cl Fe N2P b c n28.804; 10.617; 14.556
90; 90; 90
4451Yasuhiro Ohki; Tsubasa Hatanaka; Kazuyuki Tatsumi
C-H Bond Activation of Heteroarenes Mediated by a Half-Sandwich Iron Complex of N-Heterocyclic Carbene
Journal of the American Chemical Society, 2008, 130, 17174-17186
4108860 CIFC53 H76 Cr N2 SiP b c n34.221; 13.3963; 21.1992
90; 90; 90
9718.5Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik
Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand
Journal of the American Chemical Society, 2008, 130, 17351-17361
4109136 CIFC32 H46 N2 Ni O2P b c n26.287; 10.919; 10.265
90; 90; 90
2946.3Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi
Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
Journal of the American Chemical Society, 2007, 129, 2559-2568
4109137 CIFC32 H46 N2 O2 PdP b c n26.674; 10.956; 10.273
90; 90; 90
3002.2Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi
Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
Journal of the American Chemical Society, 2007, 129, 2559-2568
4109138 CIFC32 H46 N2 O2 PtP b c n26.78; 11.036; 10.181
90; 90; 90
3009Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi
Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
Journal of the American Chemical Society, 2007, 129, 2559-2568
4109381 CIFC33 H35 N O4 S2P b c n27.4366; 16.311; 13.6021
90; 90; 90
6087.2Sabrina Castellano; Hannah D. G. Fiji; Sape S. Kinderman; Masaru Watanabe; Pablo de Leon; Fuyuhiko Tamanoi; Ohyun Kwon
Small-Molecule Inhibitors of Protein Geranylgeranyltransferase Type I
Journal of the American Chemical Society, 2007, 129, 5843-5845
4109568 CIFC36 H41 Cl2 N5 RuP b c n11.3376; 13.3755; 21.4203
90; 90; 90
3248.3Soon Hyeok Hong; Anna G. Wenzel; Tina T. Salguero; Michael W. Day; Robert H. Grubbs
Decomposition of Ruthenium Olefin Metathesis Catalysts
Journal of the American Chemical Society, 2007, 129, 7961-7968
4109575 CIFC31 H36 N2 O4 S2P b c n30.7329; 12.1699; 15.1349
90; 90; 90
5660.7Daisuke Tanaka; Yoshihiro Sato; Miwako Mori
Ruthenium-Catalyzed [2 + 2 + 2] Cocyclization of Diene-yne
Journal of the American Chemical Society, 2007, 129, 7730-7731
4109589 CIFC13 H12 N2 O5P b c n17.4307; 5.3287; 26.7589
90; 90; 90
2485.4Tamara L. Church; Christopher M. Byrne; Emil B. Lobkovsky; Geoffrey W. Coates
A New Multicomponent Reaction Catalyzed by a [Lewis Acid]+[Co(CO)4]- Catalyst: Stereospecific Synthesis of 1,3-Oxazinane-2,4-diones from Epoxides, Isocyanates, and CO
Journal of the American Chemical Society, 2007, 129, 8156-8162
4109863 CIFC18 H17 Cl2 N O5 WP b c n27.7307; 9.6208; 14.9968
90; 90; 90
4001Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton
Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands
Journal of the American Chemical Society, 2007, 129, 10628-10629
4109978 CIFC56 H114.5 N3.5 O20 W5 ZrP b c n24.7085; 36.0065; 33.1734
90; 90; 90
29513.3R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington
Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks
Journal of the American Chemical Society, 2007, 129, 12181-12196

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