Crystallography Open Database

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4122518 CIFC12 H18 O7 TbP 6510.9244; 10.9244; 21.0072
90; 90; 120
2171.17Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122519 CIFC12 H18 Dy O7P 6510.908; 10.908; 20.9429
90; 90; 120
2158.03Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4122528 CIFC12 H19 La0.259 O7 Pr0.741P 6510.9487; 10.9487; 21.411
90; 90; 120
2222.76Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui
Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.
Journal of the American Chemical Society, 2014, 136, 12572-12575
4123302 CIFC26 H33 N O3P 6512.418; 12.418; 25.856
90; 90; 120
3453Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen
Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.
Journal of the American Chemical Society, 2015, 137, 656-659
4123348 CIFC42 H37 Cd2 N2 O13 S4P 6519.6; 19.6; 20.76
90; 90; 120
6906.7Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea
Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.
Journal of the American Chemical Society, 2015, 137, 1774-1777
4123349 CIFC40.94 H37.3 Mn2 N1.76 O12.59 S4P 6519.469; 19.469; 20.6804
90; 90; 120
6788.5Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea
Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.
Journal of the American Chemical Society, 2015, 137, 1774-1777
4123467 CIFC24 H35 Cl2 Cu N7 O9P 6515.05046; 15.05046; 22.728
90; 90; 120
4458.53Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.
A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.
Journal of the American Chemical Society, 2015, 137, 2796-2799
4123557 CIFC51 H87 B F4 Ni3 S4P 6513.5182; 13.5182; 50.6155
90; 90; 120
8010.4Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.
Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.
Journal of the American Chemical Society, 2015, 137, 4993-5011
4125977 CIFC38 H59 F3 Mo N5 O4 SP 6516.2897; 16.2897; 32.2513
90; 90; 120
7411.5Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.
Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.
Journal of the American Chemical Society, 2017, 139, 6110-6113
4127338 CIFC20 H24 O5P 6513.2016; 13.2016; 20.4473
90; 90; 120
3086.17Zhang, Jianpeng; Li, Zijian; Zhuo, Junming; Cui, Yue; Han, Ting; Li, Chao
Tandem Decarboxylative Cyclization/Alkenylation Strategy for Total Syntheses of (+)-Longirabdiol, (-)-Longirabdolactone, and (-)-Effusin.
Journal of the American Chemical Society, 2019, 141, 8372-8380
4128086 CIFC38 H55 I Ni O P2P 6511.6198; 11.6198; 47.0073
90; 90; 120
5496.59Diccianni, Justin B.; Katigbak, Joseph; Hu, Chunhua; Diao, Tianning
Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction.
Journal of the American Chemical Society, 2019, 141, 1788-1796
4128196 CIFC193 H136 Au10 Cl4 F12 O6 P8P 6519.362; 19.362; 92.9191
90; 90; 120
30167.3Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming
Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.
Journal of the American Chemical Society, 2019, 141, 2384-2390
4129498 CIFC23 H20 N O2 PP 659.0398; 9.0398; 39.273
90; 90; 120
2779.3Lee, Ansoo; Kim, Hyunwoo
Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.
Journal of the American Chemical Society, 2015, 137, 11250-11253
4130547 CIFC24 H18 Br N O3 SP 659.4218; 9.4218; 41.184
90; 90; 120
3166.1Wang, Qiang; Li, Tian-Ren; Lu, Liang-Qiu; Li, Miao-Miao; Zhang, Kai; Xiao, Wen-Jing
Catalytic Asymmetric [4 + 1] Annulation of Sulfur Ylides with Copper-Allenylidene Intermediates.
Journal of the American Chemical Society, 2016, 138, 8360-8363
4131128 CIFC11 H13 F3 N4 O3P 659.4581; 9.4581; 26.7583
90; 90; 120
2072.99Tian, Maoqun; Yan, Ming; Baran, Phil S.
11-Step Total Synthesis of Araiosamines.
Journal of the American Chemical Society, 2016, 138, 14234-14237
4132419 CIFC27 H22 Cl2 N2 O PdP 6520.913; 20.913; 10.05
90; 90; 120
3806.5Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng
Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.
Journal of the American Chemical Society, 2018, 140, 7415-7419
4132839 CIFC52 H44 Cl0 Cu2 F0 N2 P4P 6525.734; 25.734; 15.573
90; 90; 120
8931.4Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe
Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.
Journal of the American Chemical Society, 2018, 140, 12521-12526
4133429 CIFC29 H29 N O4P 6526.7901; 26.7901; 5.9921
90; 90; 120
3724.42Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert
Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.
Journal of the American Chemical Society, 2018, 140, 16758-16772
4133657 CIFC20 H26 N2 O2P 6519.5192; 19.5192; 8.5136
90; 90; 120
2809.1He, Chi; Stratton, Thomas P.; Baran, Phil S.
Concise Total Synthesis of Herqulines B and C.
Journal of the American Chemical Society, 2019, 141, 29-32
4134000 CIFC23 H19 N OP 659.4573; 9.4573; 66.22
90; 90; 120
5129.3Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M
Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.
Journal of the American Chemical Society, 2020
4302228 CIFC26 H19 Cu2 N3 O9P 6527.59; 27.59; 5.9277
90; 90; 120
3907.7Maxwell A. Braverman; Joseph H. Nettleman; Ronald M. Supkowski; Robert L. LaDuca
Copper Phthalate Coordination Polymers Incorporating Kinked Dipyridyl Ligands: An Unprecedented 8-Connected Network and One-Dimensional Chiral Nanobarrels with Hydrophobic Channels Constructed from Septuple Helical Motifs
Inorganic Chemistry, 2009, 48, 4918-4926
4304862 CIFC127 H190 N6 O19 S2 Ti3P 6527.38; 27.38; 38.033
90; 90; 120
24692Yuri N. Belokon'; William Clegg; Ross W. Harrington; Michael North; Carl Young
In Situ Formation of Heterobimetallic Salen Complexes Containing Titanium and/or Vanadium Ions
Inorganic Chemistry, 2008, 47, 3801-3814
4305363 CIFC20 H44 Cl2 O4 Rh2 S4P 6521.5055; 21.5055; 11.7732
90; 90; 120
4715.46Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein
Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine
Inorganic Chemistry, 2008, 47, 6502-6512
4305364 CIFC20 H44 Cl2 Ir2 O4 S4P 6521.6261; 21.6261; 11.7931
90; 90; 120
4776.6Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein
Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine
Inorganic Chemistry, 2008, 47, 6502-6512
4307808 CIFC18 H11 Ag B F9 N6P 6519.1456; 19.1456; 11.0901
90; 90; 120
3520.5H. 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
4308781 CIFC28 H32 Fe2 N6 O11P 6513.151; 13.151; 36.56
90; 90; 120
5476Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray
Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels
Inorganic Chemistry, 2005, 44, 1302-1308
4311520 CIFC30 H26 Ag Au B2 F8 N10P 6513.185; 13.185; 32.5591
90; 90; 120
4901.9Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo
Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer
Inorganic Chemistry, 2004, 43, 5714-5724
4312678 CIFC37 H37 B Br N3 Ni OP 659.729; 9.729; 56.966
90; 90; 120
4669.63Suman Mukhopadhyay; Debdas Mandal; Dipesh Ghosh; Israel Goldberg; Muktimoy Chaudhury
Equilibrium Studies in Solution Involving Nickel(II) Complexes of Flexidentate Schiff Base Ligands: Isolation and Structural Characterization of the Planar Red and Octahedral Green Species Involved in the Equilibrium
Inorganic Chemistry, 2003, 42, 8439-8445
4312853 CIFC32 H50 F12 N2 P2 Ru2 S3P 6511.995; 11.995; 48.844
90; 90; 120
6086Richard Y. C. Shin; Martin A. Bennett; Lai Yoong Goh; Wei Chen; David C. R. Hockless; Weng Kee Leong; Kazushi Mashima; Anthony C. Willis
Arene-Ruthenium Complexes of an Acyclic Thiolate-Thioether and Tridentate Thioether Derivatives Resulting from Ring-Closure Reactions
Inorganic Chemistry, 2003, 42, 96-106
4317387 CIFC20 H20 B2 F8 N12 SrP 659.4253; 9.4253; 55.3713
90; 90; 120
4259.96Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei
Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II)
Inorganic Chemistry, 2002, 41, 19-27
4319459 CIFC12 H24 Cl2 N4 Ni O3 SP 6512.4125; 12.4125; 23.0975
90; 90; 120
3081.87Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin
Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^
Inorganic Chemistry, 2001, 40, 1606-1613
4321117 CIFC22 H18 Cl2 N6 RuP 6522.2928; 22.2928; 8.5121
90; 90; 120
3663.5Aldrik H. Velders; Huub Kooijman; Anthony L. Spek; Jaap G. Haasnoot; Dick de Vos; Jan Reedijk
Strong Differences in the in Vitro Cytotoxicity of Three Isomeric Dichlorobis(2-phenylazopyridine)ruthenium(II) Complexes
Inorganic Chemistry, 2000, 39, 2966-2967
4322968 CIFC10 H18 Co N2 O9 SP 6511.435; 11.435; 20.886
90; 90; 120
2365.1Jian Lu; Carolyn Yu; Tianyan Niu; Tasneem Paliwala; Gerardo Crisci; Fernando Somosa; Allan J. Jacobson
One-Dimensional Coordination Polymers of Cobalt with 4,4'-Bipyridine: Syntheses and Structures
Inorganic Chemistry, 1998, 37, 4637-4640
4323993 CIFC41 H36 B N3 O2 RuP 659.7604; 9.7604; 64.244
90; 90; 120
5300.3Giuseppe Fachinetti; Tiziana Funaioli; Lorenzo Lecci; Fabio Marchetti
Ru3(CO)12 in Acidic Media. Intermediates of the Acid-Cocatalyzed Water-Gas Shift Reaction (WGSR)
Inorganic Chemistry, 1996, 35, 7217-7224
4326914 CIFC4 H9 F6 N4 Ni O7 PP 6517.4863; 17.4863; 8.5815
90; 90; 120
2272.43Ashley M. Wright; Guang Wu; Trevor W. Hayton
Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]
Inorganic Chemistry, 2011, 50, 11746-11753
4331322 CIFC103 H140 Cl8 Dy6 N14 O51P 6522.759; 22.759; 25.477
90; 90; 120
11428Shufang Xue; Xiao-Hua Chen; Lang Zhao; Yun-Nan Guo; Jinkui Tang
Two Bulky-Decorated Triangular Dysprosium Aggregates Conserving Vortex-Spin Structure
Inorganic Chemistry, 2012, 51, 13264-13270
4338145 CIFC27 H30 Cl3 Cu Mn2 N3 O10P 6517.5632; 17.5632; 18.423
90; 90; 120
4921.5Shiga, Takuya; Maruyama, Kazuya; Newton, Graham N.; Inglis, Ross; Brechin, Euan K.; Oshio, Hiroki
Chiral Single-Chain Magnet: Helically Stacked [Mn(III)2Cu(II)] Triangles.
Inorganic chemistry, 2014, 53, 4272-4274
4341165 CIFC31 H38.5 Br F6 N4 O2.33 P PdP 6513.0939; 13.0939; 34.369
90; 90; 120
5103.1Teng, Qiaoqiao; Huynh, Han Vinh
Determining the electron-donating properties of bidentate ligands by (13)c NMR spectroscopy.
Inorganic chemistry, 2014, 53, 10964-10973
4342000 CIFC26 H32 Cl4 Ga2 N4P 6521.986; 21.986; 11.9576
90; 90; 120
5005.7Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.
Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.
Inorganic chemistry, 2015, 54, 418-424
4348135 CIFC18 H13 Er N4 O9P 6511.152; 11.152; 26.483
90; 90; 120
2852.35Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta
Spin Helicity in Chiral Lanthanide Chains.
Inorganic chemistry, 2016, 55, 10068-10074
4348136 CIFC18 H13 Dy0.12 N4 O9 Y0.88P 6511.1664; 11.1664; 26.5948
90; 90; 120
2871.8Mihalcea, Ionut; Perfetti, Mauro; Pineider, Francesco; Tesi, Lorenzo; Mereacre, Valeriu; Wilhelm, Fabrice; Rogalev, Andrei; Anson, Christopher E.; Powell, Annie K.; Sessoli, Roberta
Spin Helicity in Chiral Lanthanide Chains.
Inorganic chemistry, 2016, 55, 10068-10074
4348943 CIFC32 H26 Cu2 N4 O14P 6511.055; 11.055; 47.6676
90; 90; 120
5045.12Rao, Purna Chandra; Chaudhary, Sonu Pratap; Kuznetsov, Denis; Mandal, Sukhendu
Transformation of One-Dimensional Achiral Structure to Three-Dimensional Chiral Structure: Mechanistic Study and Catalytic Activities of Chiral Structure.
Inorganic chemistry, 2016, 55, 12669-12674
4500055 CIFC54 H40 B N O4P 6524.969; 24.969; 16.924
90; 90; 120
9137.7Tao Tu; Thierry Maris; James D. Wuest
Crystal Structures of Spiroborates Derived from [1,1'-Binaphthalene]-2,2'-diol (BINOL)
Cryst. Growth & Design, 2008, 8, 1541-1546
4500244 CIFC21 H40 Fe N10 Ni O3P 6519.2182; 19.2182; 15.842
90; 90; 120
5067.18Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu
Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties
Crystal Growth & Design, 2011, 11, 302
4502508 CIFC15 H13 Cl2 Cu N7 OP 658.324; 8.324; 45.18
90; 90; 120
2711.07Bai, Shi-Qiang; Leelasubcharoen, Somying; Chen, Xin; Koh, Lip Lin; Zuo, Jing-Lin; Hor, T. S. Andy
Crystallographic Elucidation of Chiral and Helical Cu(II) Polymers Assembled from a Heterodifunctional 1,2,3-Triazole Ligand†
Crystal Growth & Design, 2010, 10, 1715
4503012 CIFC21 H39 N4 O12 P3 S3P 659.2366; 9.2366; 63.693
90; 90; 120
4705.9Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R.
Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer.
Crystal growth & design, 2012, 12, 567-571
4503871 CIFC6 H2 Br N3 O6P 6514.8812; 14.8812; 22.5449
90; 90; 120
4323.69Parrish, Damon A.; Deschamps, Jeffrey R.; Gilardi, Richard D.; Butcher, Raymond J.
Polymorphs of Picryl Bromide
Crystal Growth & Design, 2008, 8, 57
4507726 CIFC46 H32 N4 O7 ZnP 6513.5717; 13.5717; 37.332
90; 90; 120
5955Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen
Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates
Crystal Growth & Design, 2013, 13, 2111
4509833 CIFC22 H24 N2 O6P 659.8241; 9.8241; 37.0024
90; 90; 120
3092.76Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.
One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.
ACS catalysis, 2014, 4, 634-638
4510154 CIFC4 H10 N2 O20 U3P 6518.4129; 18.4129; 12.3856
90; 90; 120
3636.6de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.
Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials
Crystal Growth & Design, 2014, 14, 1357

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