Crystallography Open Database

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4128704 CIFC6 H12 N O4 ReR 3 m :R6.1776; 6.1776; 6.1776
89.846; 89.846; 89.846
235.75Harada, Jun; Kawamura, Yuto; Takahashi, Yukihiro; Uemura, Yohei; Hasegawa, Tatsuo; Taniguchi, Hiroki; Maruyama, Koji
Plastic/Ferroelectric Crystals with Easily Switchable Polarization: Low-Voltage Operation, Unprecedentedly High Pyroelectric Performance, and Large Piezoelectric Effect in Polycrystalline Forms.
Journal of the American Chemical Society, 2019, 141, 9349-9357
4102270 CIFC24 H40 B Cl Co N6R 3 m :H15.9843; 15.9843; 9.4269
90; 90; 120
2085.9J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser
Cobalt(II) "Scorpionate" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy
Journal of the American Chemical Society, 2010, 132, 5241-5253
4103186 CIFC14 H7 Cu O5R 3 m :H26.3043; 26.3043; 26.5885
90; 90; 120
15932.3Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger
Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity
Journal of the American Chemical Society, 2010, 132, 13941-13948
4103911 CIFC3 H12 B NR 3 m :H9.0792; 9.0792; 5.8922
90; 90; 120
420.63Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann
Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations
Journal of the American Chemical Society, 2009, 131, 2231-2243
4106144 CIFB6 Cl K3 O10R 3 m :H10.0624; 10.0624; 8.8361
90; 90; 120
774.8Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo
K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge
Journal of the American Chemical Society, 2011, 133, 7786-7790
4112542 CIFC272 H202 Cl28R 3 m :H48.2928; 48.2928; 11.8656
90; 90; 120
23965Xianfeng Shen; Douglas M. Ho; Robert A. Pascal
Synthesis of Polyphenylene Dendrimers Related to "Cubic Graphite"
Journal of the American Chemical Society, 2004, 126, 5798-5805
4114916 CIFCs H6 Na O14 Si4 VR 3 m :H13.5674; 13.5674; 21.855
90; 90; 120
3484Xiqu Wang; Lumei Liu; Allan J. Jacobson
Open-Framework and Microporous Vanadium Silicates
Journal of the American Chemical Society, 2002, 124, 7812-7820
4115480 CIFC13 Cl9R 3 m :H18.704; 18.704; 3.7792
90; 90; 120
1145P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon
Perchlorophenalenyl Radical
Journal of the American Chemical Society, 2001, 123, 3864-3871
4122440 CIFC4 H2.05 Co O3R 3 m :H25.8595; 25.8595; 6.7766
90; 90; 120
3924.5Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122441 CIFC4 H Co D1.69 O3R 3 m :H25.8419; 25.8419; 6.781
90; 90; 120
3921.7Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122442 CIFC4 H Co O3R 3 m :H25.8734; 25.8734; 6.7677
90; 90; 120
3923.5Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122444 CIFC4 H D3.85 Ni O3R 3 m :H25.776; 25.776; 6.7544
90; 90; 120
3886.4Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122445 CIFC4 H Co D5.63 O3R 3 m :H25.8923; 25.8923; 6.8115
90; 90; 120
3954.7Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122446 CIFC4 H Co D3.47 O3R 3 m :H25.8826; 25.8826; 6.803
90; 90; 120
3946.8Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122447 CIFC4 H D1.97 Ni O3R 3 m :H25.749; 25.749; 6.739
90; 90; 120
3869.4Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122448 CIFC4 H Co D3.73 O3R 3 m :H25.8806; 25.8806; 6.8038
90; 90; 120
3946.7Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122449 CIFC4 H Co O3R 3 m :H25.8902; 25.8902; 6.79046
90; 90; 120
3941.9Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122450 CIFC4 H Co D2.37 O3R 3 m :H25.8518; 25.8518; 6.7881
90; 90; 120
3928.8Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122451 CIFC4 H D5.77 Ni O3R 3 m :H25.802; 25.802; 6.7613
90; 90; 120
3898.2Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119
4122453 CIFC4 H Co D2.71 O3R 3 m :H25.8521; 25.8521; 6.7898
90; 90; 120
3929.9Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R.
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites.
Journal of the American Chemical Society, 2014, 136, 12119

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