Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100178 | CIF | C25 H24 N2 O6 | P -1 | 7.842; 12.127; 12.973 65.76; 86.43; 81.31 | 1112.04 | Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society, 2000, 122, 10218-10219 |
| 1100179 | CIF | C18 H22 O | R 3 :H | 23.056; 23.056; 7.325 90; 90; 120 | 3372.15 | Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society, 2000, 122, 10218-10219 |
| 1100180 | CIF | C17 H20 O | R 3 :H | 22.864; 22.864; 7.229 90; 90; 120 | 3272.75 | Bromm, Lars O.; Laaziri, Hamid; Lhermitte, Frédéric; Harms, Klaus; Knochel, Paul Highly Regio- and Stereoselective Thermal Migration of Organoboranes in Acyclic Molecules Journal of the American Chemical Society, 2000, 122, 10218-10219 |
| 1100289 | CIF | C20 H19 N O3 | P 1 21 1 | 9.191; 16.567; 11.465 90; 101.93; 90 | 1708.04 | Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M. Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds Journal of the American Chemical Society, 1987, 109, 921-923 |
| 1100296 | CIF | C10 H16 Li N O | P 1 21/c 1 | 11.493; 9.567; 19.636 90; 93.18; 90 | 2155.72 | Boche, Gernot; Harms, Klaus; Marsch, Michael X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom Journal of the American Chemical Society, 1988, 110, 6925-6926 |
| 1100358 | CIF | C15 H37 Li N2 Si2 | C 1 2/c 1 | 19.69; 11.788; 19.56 90; 101.28; 90 | 4452.29 | Boche, Gernot; Fraenkel, Gideon; Cabral, Jose; Harms, Klaus; Van Eikema Hommes, Nicolaas J. R.; Lohrenz, John; Marsch, Michael; Schleyer, Paul v. R. exo,exo-[1,3-Bis(trimethylsilyl)allyl]lithium-N,N,N',N'-tetramethylethylenediamine complex: crystal structure and dynamics in solution Journal of the American Chemical Society, 1992, 114, 1562-1565 |
| 1100374 | CIF | C25 H25 Fe P5 | P 1 2/n 1 | 16.01; 9.727; 16.193 90; 102.11; 90 | 2465.61 | Elschenbroich, Christoph; Nowotny, Mathias; Behrendt, Andreas; Harms, Klaus; Wocadlo, Sigrid; Pebler, Juergen Pentakis(η^1^-phosphinine)iron: Synthesis, Structure, and Mode of Formation Journal of the American Chemical Society, 1994, 116, 6217-6219 |
| 1100430 | CIF | C13 H11 D O2 V | P 1 21/n 1 | 6.993; 16.539; 9.554 90; 104.6; 90 | 1069.31 | Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society, 1997, 119, 7452-7457 |
| 1100431 | CIF | C13 H12 O2 V | P 1 21/n 1 | 6.98; 16.541; 9.544 90; 104.6; 90 | 1066.33 | Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society, 1997, 119, 7452-7457 |
| 1100432 | CIF | C26 H22 O3 V2 | P 1 21/n 1 | 13.534; 23.276; 13.582 90; 104.34; 90 | 4145.26 | Elschenbroich, Ch.; Schiemann, O.; Burghaus, O.; Harms, K. Exchange Interaction Mediated by O‒H⋯O Hydrogen Bonds: Synthesis, Structure, and EPR Study of the Paramagnetic Organometallic Carboxylic Acid (η^7^-C~7~H~7~)V(η^5^-C~5~H~4~COOH) Journal of the American Chemical Society, 1997, 119, 7452-7457 |
| 1100463 | CIF | C8 H10 I N3 | P n m a | 8.973; 6.542; 17.092 90; 90; 90 | 1003.32 | Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society, 1996, 118, 4925-4930 |
| 1100464 | CIF | C10 H12 I N3 | C 1 2/c 1 | 26.993; 5.599; 15.917 90; 105.44; 90 | 2318.78 | Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society, 1996, 118, 4925-4930 |
| 1100502 | CIF | C23 H48 Cl6 N2 O10 Ti2 | P -1 | 10.363; 10.397; 12.137 92.88; 109.44; 104.47 | 1181.21 | Boche, Gernot; Möbus, Konrad; Harms, Klaus; Marsch, Michael [((η^2^-tert-Butylperoxo)titanatrane)~2~ · 3 Dichloromethane]: X-ray Crystal Structure and Oxidation Reactions Journal of the American Chemical Society, 1996, 118, 2770-2771 |
| 1100584 | CIF | C24 H30 N2 O5 | P -1 | 8.145; 11.17; 13.241 105.19; 106.46; 101.38 | 1065.85 | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding Journal of the American Chemical Society, 1999, 121, 10650-10651 |
| 1100873 | CIF | C38 H42 O13 P Pt Ru5 | P -1 | 12.6218; 13.3776; 14.3654 92.678; 91.051; 109.958 | 2275.91 | Adams, Richard D.; Captain, Burjor; Zhu, Lei Platinum Participation in the Hydrogenation of Phenylacetylene by Ru~5~(CO)~15~(C)[Pt(PBut~3~)] Journal of the American Chemical Society, 2004, 126, 3042-3043 |
| 1100918 | CIF | C19 H29 Co N6 O4 | P 1 21 1 | 8.638; 13.833; 9.537 90; 99.06; 90 | 1125.35 | Yuji Ohashi; Kazunori Yanagi; Toshiharu Kurihara; Yoshio Sasada; Yoshiaki Ohgo Crystalline state reaction of cobaloxime complexes by x-ray exposure. 1. Direct observation of cobalt-carbon bond cleavage in [(R)-1-cyanoethyl][(S)-(-)-.alpha.-methylbenzylamine] bis(dimethylglyoximato)cobalt(III) Journal of the American Chemical Society, 1981, 103, 5805-5812 |
| 1101222 | CIF | C24 H118 Al6 N16 O65 P12 Zn3 | P -4 3 n | 16.7942; 16.7942; 16.7942 90; 90; 90 | 4736.72 | Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society, 2003, 125, 9102-9110 |
| 1101223 | CIF | H1262 K43 Mo214 Na11 O1404 S12 V34 | C 1 2/m 1 | 46.324; 42.268; 41.896 90; 112.549; 90 | 75763 | Botar, Bogdan; Kögerler, Paul; Hill, Craig L. A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level Journal of the American Chemical Society, 2006, 128, 5336-5337 |
| 1516253 | CIF | C6 H3 F N3 S4 | P 1 21/c 1 | 4.789; 12.683; 16.599 90; 71.26; 90 | 954.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516254 | CIF | C6 H3 F N3 S4 | P 1 21/n 1 | 17.301; 4.0582; 26.249 90; 92.074; 90 | 1841.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516255 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 4.6011; 12.7317; 15.9122 90; 78.949; 90 | 914.8 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516256 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 4.12168; 13.2722; 14.8586 90; 84.318; 90 | 808.83 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516257 | CIF | C6 H3 F N3 S4 | P 1 21/c 1 | 4.789; 12.683; 16.281 90; 74.89; 90 | 954.7 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1516258 | CIF | C12 H6 F2 N6 S8 | P 1 21/c 1 | 3.86543; 13.4994; 14.4694 90; 86.261; 90 | 753.42 | Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050 |
| 1520022 | CIF | C12 H13 Cl O2 | P 21 21 21 | 5.8119; 10.51; 18.411 90; 90; 90 | 1124.6 | Sai, Masahiro; Yamamoto, Hisashi Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions. Journal of the American Chemical Society, 2015, 137, 7091-7094 |
| 2000026 | CIF | C84 H156 P6 S8 W6 | P -1 | 15.0562; 16.2762; 20.488 88.98; 74.256; 78.297 | 4728.23 | Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J. The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
| 2000043 | CIF | C69 H98 N5 P S8 W6 | P 1 21/c 1 | 16.1816; 15.9178; 29.4907 90; 91.4768; 90 | 7593.56 | Jin, Song; Adamchuk, Jennifer; Xiang, Bosong; DiSalvo, Francis J. The Dean-Evans Relation in ^31^P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
| 2000044 | CIF | C42 H86 N2 P4 S8 W6 | P 1 21/n 1 | 15.8389; 19.4806; 20.0882 90; 95.542; 90 | 6169.27 | Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
| 2000045 | CIF | C40 H83 N2 P5 S8 W6 | P -1 | 12.024; 21.356; 25.107 112.39; 92.58; 90.68 | 5952.08 | Song Jin; Jennifer Adamchuk; Bosong Xiang; Francis J. DiSalvo The Dean-Evans Relation in 31P NMR Spectroscopy and Its Application to the Chemistry of Octahedral Tungsten Sulfide Clusters Journal of the American Chemical Society, 2002, 124, 9229-9240 |
| 2000099 | CIF | C94.5 H96.5 B2 N6.5 Ni2 O7 S2 | P -1 | 18.128; 20.224; 26.221 101.3; 104.07; 102.37 | 8790.67 | Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species Journal of the American Chemical Society, 2001, 123, 8053-8066 |
| 4060000 | CIF | C42 H52 O6 | P 21 21 21 | 8.574; 15.235; 28.536 90; 90; 90 | 3727.6 | Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society, 2005, 127, 18-19 |
| 4060001 | CIF | C34 H44 O8 | P 21 21 21 | 9.9596; 11.4051; 28.487 90; 90; 90 | 3235.8 | Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai Total Synthesis of Absinthin Journal of the American Chemical Society, 2005, 127, 18-19 |
| 4060002 | CIF | C28 H18 F4 N6 Pt2 | P -1 | 9.081; 12.134; 13.362 73.149; 71.641; 68.191 | 1272.2 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
| 4060003 | CIF | C32 H26 F4 N6 Pt2 | P -1 | 10.157; 10.574; 15.057 103.412; 100.633; 101.514 | 1495.6 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
| 4060004 | CIF | C38 H38 F4 N6 Pt2 | P 1 21/n 1 | 10.0382; 20.024; 17.864 90; 97.633; 90 | 3558.9 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
| 4060005 | CIF | C44 H50 F4 N6 Pt2 | P 1 21/n 1 | 18.549; 10.512; 21.43 90; 101.912; 90 | 4088.7 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
| 4060006 | CIF | C21 H22 B F2 N5 Pt | P -1 | 8.5663; 9.4344; 12.8913 90.838; 95.492; 97.262 | 1028.37 | Biwu Ma; Jian Li; Peter I. Djurovich; Muhammed Yousufuddin; Robert Bau; Mark E. Thompson Synthetic Control of Pt...Pt Separation and Photophysics of Binuclear Platinum Complexes Journal of the American Chemical Society, 2005, 127, 28-29 |
| 4060007 | CIF | C17 H21 F6 N3 S | P c c n | 17.8302; 23.4425; 9.1356 90; 90; 90 | 3818.5 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
| 4060008 | CIF | C16 H19 N O5 | P 1 21 1 | 8.34; 11.15; 8.538 90; 106.8; 90 | 760 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
| 4060009 | CIF | C20 H19 N O5 | P 1 21 1 | 11.367; 11.559; 26.73 90; 90.02; 90 | 3511 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
| 4060010 | CIF | C21 H19 Br Cl3 N O5 | P 21 21 21 | 8.509; 11.225; 23.33 90; 90; 90 | 2228 | Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea Journal of the American Chemical Society, 2005, 127, 119-125 |
| 4060011 | CIF | C69 H67 Cl O18 | P -1 | 14.09; 15.066; 18.405 70.22; 87.22; 84.14 | 3656.88 | Taizoon Canteenwala; Prashant A. Padmawar; Long Y. Chiang Intense Near-Infrared Optical Absorbing Emerald Green [60]Fullerenes Journal of the American Chemical Society, 2005, 127, 26-27 |
| 4060012 | CIF | C34 H16 B2 F24 O4 | P -1 | 9.796; 12.566; 15.497 71.611; 86.79; 83.47 | 1798.1 | Stewart P. Lewis; Lee D. Henderson; Brett D. Chandler; Masood Parvez; Warren E. Piers; Scott Collins Aqueous Suspension Polymerization of Isobutene Initiated by 1,2-C6F4[B(C6F5)2]2 Journal of the American Chemical Society, 2005, 127, 46-47 |
| 4060013 | CIF | C24 H27 N O6 | P 1 21 1 | 11.615; 6.6412; 14.076 90; 95.389; 90 | 1081 | Jian Huang; Richard P. Hsung Chiral Lewis Acid-Catalyzed Highly Enantioselective [4 + 3] Cycloaddition Reactions of Nitrogen-Stabilized Oxyallyl Cations Derived from Allenamides Journal of the American Chemical Society, 2005, 127, 50-51 |
| 4060014 | CIF | C34 H59 Ce | P 1 21/n 1 | 9.2454; 34.141; 10.872 90; 109.476; 90 | 3235.5 | Laurent Maron; Evan L. Werkema; Lionel Perrin; Odile Eisenstein; Richard A. Andersen Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society, 2005, 127, 279-292 |
| 4060015 | CIF | C40 H58 Ce F5 | P -1 | 10.14; 12.213; 15.632 85.86; 81.146; 78.336 | 1871.7 | Maron, Laurent; Werkema, Evan L.; Perrin, Lionel; Eisenstein, Odile; Andersen, Richard A. Hydrogen for Fluorine Exchange in C6F6 and C6F5H by Monomeric [1,3,4-(Me3C)3C5H2]2CeH: Experimental and Computational Studies Journal of the American Chemical Society, 2005, 127, 279-292 |
| 4060016 | CIF | C25 H55 Hf P Si6 | P b c n | 16.487; 22.667; 18.672 90; 90; 90 | 6978 | Roland Fischer; Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner Synthesis of a Hafnocene Disilene Complex Journal of the American Chemical Society, 2005, 127, 70-71 |
| 4060017 | CIF | C10.17 H11 Cl0.25 N O P2 | R -3 :H | 21.5254; 21.5254; 14.173 90; 90; 120 | 5687.2 | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society, 2005, 127, 331-336 |
| 4060018 | CIF | C14 H15 N O5 P2 W | P b c a | 8.6521; 17.2931; 23.187 90; 90; 90 | 3469.3 | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society, 2005, 127, 331-336 |
| 4060019 | CIF | C13 H15 Br N O4 P2 Re | P 21 21 21 | 6.5297; 13.6202; 19.8064 90; 90; 90 | 1761.5 | Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V. Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^ Journal of the American Chemical Society, 2005, 127, 331-336 |
| 4060020 | CIF | Gd5 Ge1.95 Si2.05 | P n m a | 7.5359; 14.847; 7.8287 90; 90; 90 | 875.9 | Yurij 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 | CIF | Gd5 Ge1.99 Si2.02 | P 1 1 21/a | 7.5856; 14.81; 7.7855 90; 90; 93.223 | 873.26 | Yurij 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 | CIF | C30 H22 N6 O2 | P 1 21/n 1 | 16.046; 7.434; 20.025 90; 100.42; 90 | 2349.3 | Tomasz 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 | CIF | C30 H20 N6 Ni O2 | P n m a | 17.985; 26.557; 12.191 90; 90; 90 | 5823 | Tomasz 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 | CIF | C32 H24 N6 Ni O4 | P -1 | 8.082; 11.956; 13.813 84.49; 89.44; 72.38 | 1266 | Tomasz 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 | CIF | C96 H78 Cl6 N12 Ni2 O9 | P -1 | 14.017; 15.085; 21.778 99.55; 108.7; 93.39 | 4270.1 | Tomasz 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 | CIF | C23 H30 Co4 O14 Yb | P b c a | 16.3884; 19.5173; 19.9185 90; 90; 90 | 6371.1 | Christine 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 | CIF | C23 H30 Co4 Eu O14 | P b c a | 16.3813; 19.7197; 20.0949 90; 90; 90 | 6491.3 | Christine 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 | CIF | C23 H28 Co4 O14 Yb | P 1 21/n 1 | 11.1607; 16.3616; 17.4351 90; 97.108; 90 | 3159.3 | Christine 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 | CIF | C31 H40 Co4 Eu O16 | C 2 2 21 | 12.4723; 17.2458; 18.0452 90; 90; 90 | 3881.4 | Christine 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 | CIF | C31 H29 N4 O2 | C 1 2/c 1 | 37.16; 6.127; 24.091 90; 111.392; 90 | 5106.8 | Shinsuke 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 | CIF | C32 H31 Cl3 N4 O6 | P -1 | 10.2817; 11.2323; 15.539 80.704; 77.666; 64.483 | 1577.2 | Shinsuke 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 | CIF | C27 H27 F5 I N O | P -1 | 5.477; 11.963; 19.287 95.137; 93.217; 96.157 | 1248.6 | H. 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 | CIF | C7 H14 Cl N3 O4 | P 21 21 21 | 5.2258; 8.7007; 22.97 90; 90; 90 | 1044.42 | Chekmenev, 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 | CIF | C9 H18 Cl N3 O4 | P 21 21 21 | 6.989; 8.2684; 21.834 90; 90; 90 | 1261.8 | Chekmenev, 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 | CIF | C33 H44 N6 O19 S4 | P -1 | 13.6343; 14.1508; 23.889 86.844; 82.792; 71.115 | 4325.9 | Lara 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 | CIF | C24 H19 N8 | P -1 | 7.7607; 10.097; 13.895 89; 84.063; 70.988 | 1023.6 | Tomoyuki 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 | CIF | C24 H19 N8 | P -1 | 7.8164; 10.3585; 14.02 88; 83.944; 69.911 | 1060 | Tomoyuki 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 | CIF | C24 H19 N8 | P -1 | 7.8153; 10.186; 14.02 89; 84.021; 70.743 | 1047.51 | Tomoyuki 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 | CIF | C24 H19 N8 | P -1 | 7.851; 10.454; 14.074 88; 83.455; 69.668 | 1075.8 | Tomoyuki 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 | CIF | C28 H44 Cl2 P2 Zr | P 1 21/c 1 | 9.1306; 13.241; 24.7714 90; 94.356; 90 | 2986.2 | Eugene 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 | CIF | C60.5 H56 Si Zr | P -1 | 12.3585; 12.4741; 16.6548 95.175; 95.375; 113.504 | 2321.16 | Eugene 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 | CIF | C22 H30 Zr | P 1 21/n 1 | 26.7687; 8.7564; 8.0887 90; 91.063; 90 | 1895.64 | Noriyuki 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 | CIF | C27 H33 P Zr2 | P 1 21/c 1 | 10.5259; 33.0858; 8.2256 90; 105.661; 90 | 2758.28 | Noriyuki 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 | CIF | C3.33 H4.67 Mn O4.67 | P 1 21/n 1 | 11.715; 10.248; 15.159 90; 91.81; 90 | 1819 | Danil 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 | CIF | C2 H2 Mn O4 | P 1 21/n 1 | 11.7203; 10.207; 14.9556 90; 91.439; 90 | 1788.6 | Danil 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 | CIF | C2 H2 Mn O4 | P n a 21 | 12.8962; 8.3888; 11.6442 90; 90; 90 | 1259.7 | Danil 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 | CIF | C28 H30 F12 Fe4 O2 P2 | P n m a | 14.903; 10.168; 20.654 89; 89; 90 | 3129 | Masaaki 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 | CIF | C56 H60 Fe8 O4 | P 1 21/c 1 | 9.353; 15.634; 32.792 90; 98.174; 90 | 4746 | Masaaki 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 | CIF | C38 H36 N P2 Rh | P -1 | 11.128; 11.1646; 13.098 84.261; 84.977; 80.62 | 1593.3 | Krug, 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 | CIF | C61 H59 N2 O2 P2 Rh | P 1 21/c 1 | 20.443; 13.454; 20.069 90; 110.31; 90 | 5176.4 | Krug, 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 | CIF | C48 H44 N O P2 Rh | C 1 2/c 1 | 14.72; 29.946; 18.379 90; 98.62; 90 | 8010 | Krug, 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 | CIF | C20 H25 B F3 Mo N9 O4 S | P 1 21/n 1 | 19.2002; 12.8053; 23.2887 90; 110.996; 90 | 5345.7 | Joseph 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 | CIF | C30 H36 N2 Ni O3 | P 1 21/n 1 | 18.0757; 16.097; 20.6888 90; 104.687; 90 | 5823 | Journal of the American Chemical Society, 2005 |
| 4100001 | CIF | C14 H25 Cl N2 Ni | P n a 21 | 11.0032; 9.6385; 14.3586 90; 90; 90 | 1522.8 | Journal of the American Chemical Society, 2005 |
| 4100002 | CIF | C14 H25 Br N2 Ni | P n a 21 | 11.2997; 9.7379; 14.7603 90; 90; 90 | 1624.2 | Journal of the American Chemical Society, 2005 |
| 4100003 | CIF | C24 H24 N2 Ni O3 | P -1 | 7.7145; 8.3682; 19.411 78.551; 88.502; 69.455 | 1148.8 | Journal of the American Chemical Society, 2005 |
| 4100004 | CIF | C24 H26 N2 Ni O3 | P 1 21/n 1 | 18.275; 16.387; 31.1987 90; 90.476; 90 | 9342.8 | Journal of the American Chemical Society, 2005 |
| 4100005 | CIF | C30 H38 N2 Ni O3 | P 1 21/c 1 | 8.94; 20.5564; 16.0631 90; 105.736; 90 | 2841.3 | Journal of the American Chemical Society, 2005 |
| 4100006 | CIF | C86 H86 Fe2 N8 O10 P2 | C 1 2/c 1 | 13.649; 25.077; 22.742 90; 91.952; 90 | 7779 | Journal of the American Chemical Society, 2005 |
| 4100007 | CIF | C97 H98 F3 Fe2 N8 O13.5 P2 | P -1 | 14.084; 15.38; 24.082 97.723; 100.09; 117.146 | 4431.4 | Journal of the American Chemical Society, 2005 |
| 4100008 | CIF | C22 H41 B2 O4 Rh | P -1 | 7.3844; 15.64; 22.541 105.37; 96.51; 91.82 | 2488.8 | Cook, 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 | CIF | C28 H52 B3 O6 Rh | P -1 | 13.798; 14.718; 17.139 73.3; 89.38; 78.95 | 3268.1 | Cook, 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 | CIF | C39.5 H55 B O2 P Rh | P -1 | 10.43; 11.785; 17.455 74.18; 87.53; 66.22 | 1883.6 | Cook, 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 | CIF | C28 H54 B2 O4 P Rh | P 1 21/c 1 | 18.496; 20.128; 19.179 90; 116.33; 90 | 6399 | Cook, 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 | CIF | C26 H42 Si2 | P -1 | 7.2615; 8.7028; 11.485 104.878; 100.648; 98.4852 | 674.7 | Eisler, 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 | CIF | C28 H42 Si2 | C 1 2/c 1 | 21.699; 7.8425; 16.242 90; 90.184; 90 | 2764 | Eisler, 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 | CIF | C30 H42 Si2 | P 1 21/c 1 | 8.2757; 13.4444; 13.9444 90; 97.7225; 90 | 1537.4 | Eisler, 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 | CIF | C34 H42 Si2 | P -1 | 7.6441; 12.485; 18.3 70.701; 82.758; 80.5 | 1620.9 | Eisler, 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 | CIF | C27 H24 N O2 P | P 1 21/n 1 | 9.7619; 10.3789; 21.056 90; 95.506; 90 | 2123.5 | Journal of the American Chemical Society, 2005 |
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