Crystallography Open Database

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4111899 CIFC28 H30 Br Cl6 S16P 4312.35; 12.35; 29.748
90; 90; 90
4537.2Michio M. Matsushita; Tadashi Sugawara
Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt
Journal of the American Chemical Society, 2005, 127, 12450-12451
4112081 CIFC78 H102 Cl6 F6 O14 P2 Pd S2P 4314.1334; 14.1334; 43.546
90; 90; 90
8698.4Britton K. Corkey; F. Dean Toste
Catalytic Enantioselective Conia-Ene Reaction
Journal of the American Chemical Society, 2005, 127, 17168-17169
4114966 CIFC15 H24 N2 O8 SP 4315.794; 15.794; 15.1279
90; 90; 90
3773.7Peter Tremmel; Armin Geyer
An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation
Journal of the American Chemical Society, 2002, 124, 8548-8549
4117197 CIFC21 H23 N SP 4310.366; 10.3659; 17.133
90; 90; 90
1841Masami Sakamoto; Masaki Takahashi; Kenji Kamiya; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe
Crystal-to-Crystal Solid-State Photochemistry: Absolute Asymmetric β-Thiolactam Synthesis from an Achiral α,β-Unsaturated Thioamide
Journal of the American Chemical Society, 1996, 118, 10664-10665
4118112 CIFC30 H31 Cl F6 O4P 439.5379; 9.5379; 32.918
90; 90; 90
2994.6Kazutaka Shibatomi; Yoshinori Soga; Akira Narayama; Ikuhide Fujisawa; Seiji Iwasa
Highly Enantioselective Chlorination of β-Keto Esters and Subsequent SN2 Displacement of Tertiary Chlorides: A Flexible Method for the Construction of Quaternary Stereogenic Centers
Journal of the American Chemical Society, 2012, 134, 9836-9839
4119678 CIFC25 H21 F6 Mn N5 O6 S2P 4310.0528; 10.0528; 28.2357
90; 90; 90
2853.47Junying Chen; Yong-Min Lee; Katherine M. Davis; Xiujuan Wu; Mi Sook Seo; Kyung-Bin Cho; Heejung Yoon; Young Jun Park; Shunichi Fukuzumi; Yulia N. Pushkar; Wonwoo Nam
A Mononuclear Non-Heme Manganese(IV)-Oxo Complex Binding Redox-Inactive Metal Ions
Journal of the American Chemical Society, 2013, 135, 6388-6391
4120855 CIFC122 H144 Cl N31 Na O24.5P 4321.2359; 21.2359; 27.653
90; 90; 90
12470.5Yuran Hua; Yun Liu; Chun-Hsing Chen; Amar H. Flood
Hydrophobic Collapse of Foldamer Capsules Drives Picomolar-Level Chloride Binding in Aqueous Acetonitrile Solutions
Journal of the American Chemical Society, 2013, 135, 14401-14412
4121658 CIFC29 H52 O5 Si2P 4311.5311; 11.5311; 23.9069
90; 90; 90
3178.81McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.
Development of a Concise Synthesis of (+)-Ingenol.
Journal of the American Chemical Society, 2014, 136, 5799
4122117 CIFC32 H16 Cu N10 S4P 438.966; 8.966; 39.873
90; 90; 90
3205.4Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].
Journal of the American Chemical Society, 2006, 128, 6264
4122118 CIFC32 H16 N10 S4 ZnP 438.937; 8.937; 40.324
90; 90; 90
3220.7Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].
Journal of the American Chemical Society, 2006, 128, 6264
4122119 CIFC32 H16 Fe N10 S4P 438.917; 8.917; 40.516
90; 90; 90
3221.5Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].
Journal of the American Chemical Society, 2006, 128, 6264
4122120 CIFC32 H16 Co N10 S4P 438.898; 8.898; 40.385
90; 90; 90
3197.5Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].
Journal of the American Chemical Society, 2006, 128, 6264
4122121 CIFC32 H16 N10 Ni S4P 438.8643; 8.8643; 40.515
90; 90; 90
3183.5Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.
Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].
Journal of the American Chemical Society, 2006, 128, 6264
4122285 CIFC15 H24 N2 O8 SP 4315.794; 15.794; 15.1279
90; 90; 90
3773.7Tremmel, Peter; Geyer, Armin
An Oligomeric Ser-Pro Dipeptide Mimetic Assuming the Polyproline II Helix Conformation
Journal of the American Chemical Society, 2002, 124, 8548
4123668 CIFC10 H16 O2P 437.7371; 7.7371; 30.9059
90; 90; 90
1850.11Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond
Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.
Journal of the American Chemical Society, 2015, 137, 6327-6334
4124818 CIFC20 H18 Co F6 N0 PP 4310.7808; 10.7808; 16.1975
90; 90; 90
1882.56Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom
Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.
Journal of the American Chemical Society, 2015, 137, 16064-16073
4125536 CIFC16 H35 N7 Ni O6P 4313.407; 13.407; 24.102
90; 90; 90
4332.3Derrick, Jeffrey S.; Lee, Jiwan; Lee, Shin Jung C.; Kim, Yujeong; Nam, Eunju; Tak, Hyeonwoo; Kang, Juhye; Lee, Misun; Kim, Sun Hee; Park, Kiyoung; Cho, Jaeheung; Lim, Mi Hee
Mechanistic Insights into Tunable Metal-Mediated Hydrolysis of Amyloid-β Peptides.
Journal of the American Chemical Society, 2017, 139, 2234-2244
4128221 CIFC40 H66 N2 O2 ZrP 4317.2175; 17.2175; 41.838
90; 90; 90
12402.6Gao, Yanshan; Christianson, Matthew D.; Wang, Yang; Chen, Jiazhen; Marshall, Steve; Klosin, Jerzy; Lohr, Tracy L.; Marks, Tobin J.
Unexpected Precatalyst σ-Ligand Effects in Phenoxyimine Zr-Catalyzed Ethylene/1-Octene Copolymerizations.
Journal of the American Chemical Society, 2019, 141, 7822-7830
4128308 CIFC24 H25 N O7P 437.0841; 7.0841; 41.0624
90; 90; 90
2060.69Trost, Barry M.; Hung, Chao-I Joey; Jiao, Zhiwei
Enantioselective Divergent Syntheses of (+)-Bulleyanaline and Related Isoquinoline Alkaloids from the Genus <i>Corydalis</i>.
Journal of the American Chemical Society, 2019, 141, 16085-16092
4129650 CIFC20 H28 N2 O2 S SiP 4314.9108; 14.9108; 9.1435
90; 90; 90
2032.89Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok
Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.
Journal of the American Chemical Society, 2015, 137, 15176-15184
4131074 CIFC12 H6 Co F2 N4P 4313.2715; 13.2715; 14.6258
90; 90; 90
2576.08Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.
Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).
Journal of the American Chemical Society, 2016, 138, 15019-15026
4131087 CIFC11 H19 N O4P 439.7864; 9.7864; 13.161
90; 90; 90
1260.48Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.
Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.
Journal of the American Chemical Society, 2016, 138, 13525-13528
4133692 CIFC78 H78 F6 Ga N6 O7 PP 4313.6204; 13.6204; 37.271
90; 90; 90
6914.3Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.
Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.
Journal of the American Chemical Society, 2019, 141, 15792-15803
4133693 CIFC82 H86 Ga N6 O8P 4313.6416; 13.6416; 37.5054
90; 90; 90
6979.5Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.
Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.
Journal of the American Chemical Society, 2019, 141, 15792-15803
4301539 CIFC36 H29 F6 N6 O2 P RuP 438.9314; 8.9314; 42.105
90; 90; 90
3358.7Sipke H. Wadman; Martin Lutz; Duncan M. Tooke; Anthony L. Spek; František Hartl; Remco W. A. Havenith; Gerard P. M. van Klink; Gerard van Koten
Consequences of N,C,N'- and C,N,N'-Coordination Modes on Electronic and Photophysical Properties of Cyclometalated Aryl Ruthenium(II) Complexes
Inorganic Chemistry, 2009, 48, 1887-1900
4304594 CIFC25 H46 Cl N5 Ni O6P 4312.6159; 12.6159; 18.211
90; 90; 90
2898.5Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu
Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains
Inorganic Chemistry, 2008, 47, 2710-2718
4307809 CIFC15 H13 Ag B F9 N6P 4313.0803; 13.0803; 11.8765
90; 90; 90
2032H. V. Rasika Dias; Jiang Wu; Xiaoyu Wang; Krishnan Rangan
Structural Variations of Silver Ethylene Complexes Supported by Boron-Protected Fluorinated Scorpionates and the Isolation of a Ligand-Directed Silver Helix
Inorganic Chemistry, 2007, 46, 1960-1962
4308422 CIFC50 H45 Cl2 N6 Ni2 O10P 4310.2115; 10.2115; 43.848
90; 90; 90
4572.2Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Inorganic Chemistry, 2005, 44, 232-241
4308580 CIFC20 H24 Cd F5 N8 Nb OP 438.4034; 8.4034; 34.933
90; 90; 90
2466.9Heather K. Izumi; Janet E. Kirsch; Charlotte L. Stern; Kenneth R. Poeppelmeier
Examining the Out-of-Center Distortion in the [NbOF5]2- Anion
Inorganic Chemistry, 2005, 44, 884-895
4311595 CIFC26 H24 Co2 Cu O10P 4310.55; 10.55; 23.15
90; 90; 90
2577Mitsuru Kondo; Yuri Hayakawa; Makoto Miyazawa; Aiko Oyama; Kei Unoura; Hiroyuki Kawaguchi; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida
A New Redox-Active Coordination Polymer with Cobalticinium Dicarboxylate
Inorganic Chemistry, 2004, 43, 5801-5803
4311937 CIFC72 H82 Cu8 F12 N18 O24 S4P 4315.1881; 15.1881; 38.671
90; 90; 90
8920.6Arunendu Mondal; Yang Li; Masood A. Khan; Joseph H. Ross,; Robert P. Houser
Supramolecular Copper Hydroxide Tennis Balls: Self-Assembly, Structures, and Magnetic Properties of Octanuclear [Cu8L8(OH)4]4+ Clusters (HL =N-(2-Pyridylmethyl)acetamide)
Inorganic Chemistry, 2004, 43, 7075-7082
4313543 CIFC32 H53 N20 Ni4 O36.5P 4312.9483; 12.9483; 33.416
90; 90; 90
5602.5Zhiqiang Xu; Laurence K. Thompson; Victoria A. Milway; Liang Zhao; Timothy Kelly; David O. Miller
Self-Assembled Dinuclear, Trinuclear, Tetranuclear, Pentanuclear, and Octanuclear Ni(II) Complexes of a Series of Polytopic Diazine Based Ligands: Structural and Magnetic Properties
Inorganic Chemistry, 2003, 42, 2950-2959
4314216 CIFC40 H48 Cl2 N2 O2 Ru S2P 4311.9009; 11.9009; 27.119
90; 90; 90
3840.9Chui-Ying Lai; Wing-Leung Mak; Eddie Y. Y. Chan; Yiu-Keung Sau; Qian-Feng Zhang; Samuel M. F. Lo; Ian D. Williams; Wa-Hung Leung
Ruthenium Complexes with Chiral Tetradentate Imino-Sulfoxide Ligands
Inorganic Chemistry, 2003, 42, 5863-5870
4314501 CIFC46 H100 In O8 P3P 4312.5537; 12.5537; 35.309
90; 90; 90
5564.5Jean-Charles Buffet; Jun Okuda; Polly L. Arnold
Chiral Indium Alkoxide Complexes as Initiators for the Stereoselective Ring-Opening Polymerization of rac-Lactide
Inorganic Chemistry, 2010, 49, 419-426
4314579 CIFC51 H49 B N6 O RuP 4311.2355; 11.2355; 32.768
90; 90; 90
4136.5Casey R. Wade; François P. Gabbaï
Cyanide Anion Binding by a Triarylborane at the Outer Rim of a Cyclometalated Ruthenium(II) Cationic Complex
Inorganic Chemistry, 2010, 49, 714-720
4319352 CIFC30 H22 Cl2 Mn N6 O9P 438.8079; 8.8079; 40.035
90; 90; 90
3105.9Hiroki Oshio; Hartmut Spiering; Vadim Ksenofontov; Franz Renz; Philipp Gütlich
Electronic Relaxation Phenomena Following 57Co(EC)57Fe Nuclear Decay in [MnII(terpy)2](ClO4)2.1/2H2O and in the Spin Crossover Complexes [CoII(terpy)2]X2.nH2O (X = Cl and ClO4): A Mössbauer Emission Spectroscopic Study
Inorganic Chemistry, 2001, 40, 1143-1150
4320003 CIFC46 H71 Mo N6 Na O5P 4317.1059; 17.1059; 16.8153
90; 90; 90
4920.4George E. Greco; Richard R. Schrock
Synthesis, Structure, and Electrochemical Studies of Molybdenum and Tungsten Dinitrogen, Diazenido, and Hydrazido Complexes That Contain Aryl-Substituted Triamidoamine Ligands
Inorganic Chemistry, 2001, 40, 3861-3878
4320121 CIFC7 H15 N2 O3 Re S2P 439.621; 9.6206; 12.911
90; 90; 90
1195.04Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu
Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate
Inorganic Chemistry, 2001, 40, 4250-4256
4320748 CIFC33 H25 Cl2 N9 O10 RuP 4316.62; 16.62; 13.02
90; 90; 90
3596.4Xiao-Hua Zou; Hong Li; Guang Yang; Hong Deng; Jie Liu; Run-Hua Li; Qian-Ling Zhang; Ya Xiong; Liang-Nian Ji
Synthesis, Characterization, and Crystal Structure of a Functionalized Ruthenium(II) Polypyridyl Complex with Fused Triazinone as Ligand
Inorganic Chemistry, 2001, 40, 7091-7095
4323373 CIFC44 H48 Cu F6 O P5P 4310.435; 10.435; 41.04
90; 90; 90
4468.8Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild
Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates
Inorganic Chemistry, 1997, 36, 1588-1597
4323491 CIFC40 H34 Ag F8 N P2P 439.4748; 9.4748; 42.159
90; 90; 90
3784.7Reint Eujen; Berthold Hoge; David J. Brauer
Preparation and NMR Spectra of Difluoromethylated Silver(I) and Silver(III) Compounds. Structure of [PNP][Ag(CF~2~H)~4~].
Inorganic Chemistry, 1997, 36, 3160-3166
4324521 CIFC31 H42 Cl F Li N5 OP 4314.336; 14.336; 15.199
90; 90; 90
3123.7Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba
Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines
Inorganic Chemistry, 2011, 50, 1826-1839
4324522 CIFC31 H42 Cl2 Li N5 OP 4314.5316; 14.5316; 15.1786
90; 90; 90
3205.2Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba
Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines
Inorganic Chemistry, 2011, 50, 1826-1839
4325910 CIFC45 H74 Cu5 N13 O31 SmP 4319.253; 19.253; 18.313
90; 90; 90
6788Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro
Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure
Inorganic Chemistry, 2011, 50, 7707-7717
4325914 CIFC46 H73 Cu5 Gd N12 O27P 4319.2377; 19.2377; 18.325
90; 90; 90
6781.9Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro
Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure
Inorganic Chemistry, 2011, 50, 7707-7717
4328361 CIFC6 H9 Cu N8 O1.5P 4312.355; 12.355; 7.9025
90; 90; 90
1206.3Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng
Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption
Inorganic Chemistry, 2012, 51, 2303-2310
4328371 CIFC6 H8 Cu N8 OP 4312.3751; 12.3751; 7.9226
90; 90; 90
1213.29Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng
Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption
Inorganic Chemistry, 2012, 51, 2303-2310
4330344 CIFBi2 Cl Cs3 K Mn4 O24 P6P 4312.2098; 12.2098; 17.848
90; 90; 90
2660.8J. Palmer West; Dino Sulejmanovic; Shiou-Jyh Hwu; Jian He; Don VanDerveer; B. Keith Johnson
Synthesis and Structure of Bismuth(III)-Containing Noncentrosymmetric Phosphates, Cs3KBi2M4(PO4)6Cl (M = Mn, Fe). Monoclinic (Cc) and Tetragonal (P43) Polymorphs Templated by Chlorine-Centered Cl(Bi2Cs) Acentric Units
Inorganic Chemistry, 2012, 51, 9723-9729
4331350 CIFC H3 La O7 SP 436.9992; 6.9992; 11.8201
90; 90; 90
579.053Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu
l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices
Inorganic Chemistry, 2012, 51, 13373-13379
4331351 CIFC H3 Ce O7 SP 436.9967; 6.9967; 11.778
90; 90; 90
576.58Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu
l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices
Inorganic Chemistry, 2012, 51, 13373-13379

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