Crystallography Open Database

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4060020 CIFGd5 Ge1.95 Si2.05P n m a7.5359; 14.847; 7.8287
90; 90; 90
875.9Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller
On the High-Temperature Phase Transition of Gd5Si2Ge2
Journal of the American Chemical Society, 2005, 127, 317-324
4060021 CIFGd5 Ge1.99 Si2.02P 1 1 21/a7.5856; 14.81; 7.7855
90; 90; 93.223
873.26Yurij Mozharivskyj; Alexandra O. Pecharsky; Vitalij K. Pecharsky; Gordon J. Miller
On the High-Temperature Phase Transition of Gd5Si2Ge2
Journal of the American Chemical Society, 2005, 127, 317-324
4060193 CIFC30 H22 N6 O2P 1 21/n 116.046; 7.434; 20.025
90; 100.42; 90
2349.3Tomasz Fekner; Judith Gallucci; Michael K. Chan
Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands
Journal of the American Chemical Society, 2004, 126, 223-236
4060194 CIFC30 H20 N6 Ni O2P n m a17.985; 26.557; 12.191
90; 90; 90
5823Tomasz Fekner; Judith Gallucci; Michael K. Chan
Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands
Journal of the American Chemical Society, 2004, 126, 223-236
4060195 CIFC32 H24 N6 Ni O4P -18.082; 11.956; 13.813
84.49; 89.44; 72.38
1266Tomasz Fekner; Judith Gallucci; Michael K. Chan
Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands
Journal of the American Chemical Society, 2004, 126, 223-236
4060196 CIFC96 H78 Cl6 N12 Ni2 O9P -114.017; 15.085; 21.778
99.55; 108.7; 93.39
4270.1Tomasz Fekner; Judith Gallucci; Michael K. Chan
Ruffling-Induced Chirality: Synthesis, Metalation, and Optical Resolution of Highly Nonplanar, Cyclic, Benzimidazole-Based Ligands
Journal of the American Chemical Society, 2004, 126, 223-236
4060197 CIFC23 H30 Co4 O14 YbP b c a16.3884; 19.5173; 19.9185
90; 90; 90
6371.1Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore
Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays
Journal of the American Chemical Society, 2004, 126, 204-213
4060198 CIFC23 H30 Co4 Eu O14P b c a16.3813; 19.7197; 20.0949
90; 90; 90
6491.3Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore
Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays
Journal of the American Chemical Society, 2004, 126, 204-213
4060199 CIFC23 H28 Co4 O14 YbP 1 21/n 111.1607; 16.3616; 17.4351
90; 97.108; 90
3159.3Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore
Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays
Journal of the American Chemical Society, 2004, 126, 204-213
4060200 CIFC31 H40 Co4 Eu O16C 2 2 2112.4723; 17.2458; 18.0452
90; 90; 90
3881.4Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore
Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays
Journal of the American Chemical Society, 2004, 126, 204-213
4060201 CIFC31 H29 N4 O2C 1 2/c 137.16; 6.127; 24.091
90; 111.392; 90
5106.8Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada
A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation
Journal of the American Chemical Society, 2004, 126, 58-59
4060202 CIFC32 H31 Cl3 N4 O6P -110.2817; 11.2323; 15.539
80.704; 77.666; 64.483
1577.2Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada
A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation
Journal of the American Chemical Society, 2004, 126, 58-59
4060203 CIFC27 H27 F5 I N OP -15.477; 11.963; 19.287
95.137; 93.217; 96.157
1248.6H. Loc Nguyen; Peter N. Horton; Michael B. Hursthouse; Anthony C. Legon; Duncan W. Bruce
Halogen Bonding: A New Interaction for Liquid Crystal Formation
Journal of the American Chemical Society, 2004, 126, 16-17
4060204 CIFC7 H14 Cl N3 O4P 21 21 215.2258; 8.7007; 22.97
90; 90; 90
1044.42Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.
15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure
Journal of the American Chemical Society, 2004, 126, 379-384
4060205 CIFC9 H18 Cl N3 O4P 21 21 216.989; 8.2684; 21.834
90; 90; 90
1261.8Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.
15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure
Journal of the American Chemical Society, 2004, 126, 379-384
4060206 CIFC33 H44 N6 O19 S4P -113.6343; 14.1508; 23.889
86.844; 82.792; 71.115
4325.9Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton
Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals
Journal of the American Chemical Society, 2004, 126, 2-3
4060207 CIFC24 H19 N8P -17.7607; 10.097; 13.895
89; 84.063; 70.988
1023.6Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura
Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3
Journal of the American Chemical Society, 2004, 126, 291-294
4060208 CIFC24 H19 N8P -17.8164; 10.3585; 14.02
88; 83.944; 69.911
1060Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura
Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3
Journal of the American Chemical Society, 2004, 126, 291-294
4060209 CIFC24 H19 N8P -17.8153; 10.186; 14.02
89; 84.021; 70.743
1047.51Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura
Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3
Journal of the American Chemical Society, 2004, 126, 291-294
4060210 CIFC24 H19 N8P -17.851; 10.454; 14.074
88; 83.455; 69.668
1075.8Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura
Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3
Journal of the American Chemical Society, 2004, 126, 291-294
4060211 CIFC28 H44 Cl2 P2 ZrP 1 21/c 19.1306; 13.241; 24.7714
90; 94.356; 90
2986.2Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud
Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization
Journal of the American Chemical Society, 2004, 126, 42-43
4060212 CIFC60.5 H56 Si ZrP -112.3585; 12.4741; 16.6548
95.175; 95.375; 113.504
2321.16Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud
Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization
Journal of the American Chemical Society, 2004, 126, 42-43
4060213 CIFC22 H30 ZrP 1 21/n 126.7687; 8.7564; 8.0887
90; 91.063; 90
1895.64Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara
Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond
Journal of the American Chemical Society, 2004, 126, 60-61
4060214 CIFC27 H33 P Zr2P 1 21/c 110.5259; 33.0858; 8.2256
90; 105.661; 90
2758.28Noriyuki Suzuki; Naoto Aihara; Hidemichi Takahara; Takaaki Watanabe; Masakazu Iwasaki; Masahiko Saburi; Daisuke Hashizume; Teiji Chihara
Synthesis and Structure of 1-Zirconacyclopent-3-yne Complexes without Substituents Adjacent to the Triple Bond
Journal of the American Chemical Society, 2004, 126, 60-61
4060215 CIFC3.33 H4.67 Mn O4.67P 1 21/n 111.715; 10.248; 15.159
90; 91.81; 90
1819Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim
Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties
Journal of the American Chemical Society, 2004, 126, 32-33
4060216 CIFC2 H2 Mn O4P 1 21/n 111.7203; 10.207; 14.9556
90; 91.439; 90
1788.6Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim
Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties
Journal of the American Chemical Society, 2004, 126, 32-33
4060217 CIFC2 H2 Mn O4P n a 2112.8962; 8.3888; 11.6442
90; 90; 90
1259.7Danil N. Dybtsev; Hyungphil Chun; Sun Hong Yoon; Dongwoo Kim; Kimoon Kim
Microporous Manganese Formate: A Simple Metal-Organic Porous Material with High Framework Stability and Highly Selective Gas Sorption Properties
Journal of the American Chemical Society, 2004, 126, 32-33
4062739 CIFC28 H30 F12 Fe4 O2 P2P n m a14.903; 10.168; 20.654
89; 89; 90
3129Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino
Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction
Journal of the American Chemical Society, 2004, 126, 4104-4105
4062742 CIFC56 H60 Fe8 O4P 1 21/c 19.353; 15.634; 32.792
90; 98.174; 90
4746Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino
Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction
Journal of the American Chemical Society, 2004, 126, 4104-4105
4062792 CIFC38 H36 N P2 RhP -111.128; 11.1646; 13.098
84.261; 84.977; 80.62
1593.3Krug, Christopher; Hartwig, John F.
Imine Insertion into a Late Metal–Carbon Bond To Form a Stable Amido Complex
Journal of the American Chemical Society, 2004, 126, 2694-2695
4062793 CIFC61 H59 N2 O2 P2 RhP 1 21/c 120.443; 13.454; 20.069
90; 110.31; 90
5176.4Krug, Christopher; Hartwig, John F.
Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex
Journal of the American Chemical Society, 2004, 126, 2694-2695
4062795 CIFC48 H44 N O P2 RhC 1 2/c 114.72; 29.946; 18.379
90; 98.62; 90
8010Krug, Christopher; Hartwig, John F.
Imine Insertion into a Late Metal‒Carbon Bond To Form a Stable Amido Complex
Journal of the American Chemical Society, 2004, 126, 2694-2695
4062964 CIFC20 H25 B F3 Mo N9 O4 SP 1 21/n 119.2002; 12.8053; 23.2887
90; 110.996; 90
5345.7Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman
Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments
Journal of the American Chemical Society, 2004, 126, 6806-6815
4100000 CIFC30 H36 N2 Ni O3P 1 21/n 118.0757; 16.097; 20.6888
90; 104.687; 90
5823Journal of the American Chemical Society, 2005
4100001 CIFC14 H25 Cl N2 NiP n a 2111.0032; 9.6385; 14.3586
90; 90; 90
1522.8Journal of the American Chemical Society, 2005
4100002 CIFC14 H25 Br N2 NiP n a 2111.2997; 9.7379; 14.7603
90; 90; 90
1624.2Journal of the American Chemical Society, 2005
4100003 CIFC24 H24 N2 Ni O3P -17.7145; 8.3682; 19.411
78.551; 88.502; 69.455
1148.8Journal of the American Chemical Society, 2005
4100004 CIFC24 H26 N2 Ni O3P 1 21/n 118.275; 16.387; 31.1987
90; 90.476; 90
9342.8Journal of the American Chemical Society, 2005
4100005 CIFC30 H38 N2 Ni O3P 1 21/c 18.94; 20.5564; 16.0631
90; 105.736; 90
2841.3Journal of the American Chemical Society, 2005
4100006 CIFC86 H86 Fe2 N8 O10 P2C 1 2/c 113.649; 25.077; 22.742
90; 91.952; 90
7779Journal of the American Chemical Society, 2005
4100007 CIFC97 H98 F3 Fe2 N8 O13.5 P2P -114.084; 15.38; 24.082
97.723; 100.09; 117.146
4431.4Journal of the American Chemical Society, 2005
4100008 CIFC22 H41 B2 O4 RhP -17.3844; 15.64; 22.541
105.37; 96.51; 91.82
2488.8Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.
Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes
Journal of the American Chemical Society, 2005
4100009 CIFC28 H52 B3 O6 RhP -113.798; 14.718; 17.139
73.3; 89.38; 78.95
3268.1Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.
Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes
Journal of the American Chemical Society, 2005
4100010 CIFC39.5 H55 B O2 P RhP -110.43; 11.785; 17.455
74.18; 87.53; 66.22
1883.6Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.
Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes
Journal of the American Chemical Society, 2005
4100011 CIFC28 H54 B2 O4 P RhP 1 21/c 118.496; 20.128; 19.179
90; 116.33; 90
6399Cook, K. S.; Incarvito, C. D.; Hartwig, J.F.; Fan, Y.; Webster, C. E.; Hall, M. B.
Rhodium-Boryl Complexes Involved in the Catalytic, Terminal Functionalization of Alkanes
Journal of the American Chemical Society, 2005
4100012 CIFC26 H42 Si2P -17.2615; 8.7028; 11.485
104.878; 100.648; 98.4852
674.7Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .
Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties
Journal of the American Chemical Society, 2005
4100013 CIFC28 H42 Si2C 1 2/c 121.699; 7.8425; 16.242
90; 90.184; 90
2764Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .
Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties
Journal of the American Chemical Society, 2005
4100014 CIFC30 H42 Si2P 1 21/c 18.2757; 13.4444; 13.9444
90; 97.7225; 90
1537.4Eisler, Sara; Slepkov, Aaron D.; Elliott, Erin; Luu, Thanh; McDonald, Robert; Hegmann, Frank A.; Tykwinski, Rik R.
Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties
Journal of the American Chemical Society, 2005
4100015 CIFC34 H42 Si2P -17.6441; 12.485; 18.3
70.701; 82.758; 80.5
1620.9Eisler, Sara; .; Slepkov, Aaron D.; .; Elliott, Erin; .; Luu, Thanh; .; McDonald, Robert; .; Hegmann, Frank A.; .; Tykwinski, Rik R.; .
Polyynes as a model for carbyne: synthesis, physical and nonlinear optical properties
Journal of the American Chemical Society, 2005
4100016 CIFC27 H24 N O2 PP 1 21/n 19.7619; 10.3789; 21.056
90; 95.506; 90
2123.5Journal of the American Chemical Society, 2005

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