Crystallography Open Database

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4027055 CIFC19 H17 N O3P c a b20.5963; 10.163; 15.4331
90; 90; 90
3230.5Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang
N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates
Journal of Organic Chemistry, 2012, 77, 2924-2928
4029791 CIFC6 H9 I N O4 PP c a b7.8119; 9.8242; 25.8681
90; 90; 90
1985.26Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari
The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.
Beilstein journal of organic chemistry, 2010, 6, 4
4029792 CIFC6 H9 Cl N O4 PP c a b7.8654; 9.6441; 25.0515
90; 90; 90
1900.27Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari
The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.
Beilstein journal of organic chemistry, 2010, 6, 4
4030020 CIFC23 H16 Cl N OP c a b10.5459; 11.3676; 30.188
90; 90; 90
3619Sharma, Upendra; Park, Yoonsu; Chang, Sukbok
Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.
The Journal of organic chemistry, 2014, 79, 9899-9906
4031119 CIFC13 H17 N O2P c a b9.722; 10.9729; 21.2502
90; 90; 90
2266.94Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.
Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.
The Journal of organic chemistry, 2015, 80, 6609-6618
4032236 CIFC39 H35 N OP c a b17.566; 16.38; 22.132
90; 90; 90
6368Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan
Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.
The Journal of organic chemistry, 2017, 82, 420-430
4033566 CIFC13 H12 Cd N6 O2 SP c a b10.6327; 15.2805; 18.3404
90; 90; 90
2979.8Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N
Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.
Journal of inorganic biochemistry, 2018, 185, 52-62
4060538 CIFC28 H33 N O4 WP c a b16.2251; 16.5889; 18.8273
90; 90; 90
5067.49Organometallics, 2005
4061222 CIFC16 H23 O4 RhP c a b13.9281; 14.398; 15.554
90; 90; 90
3119.1Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand
eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior
Organometallics, 2004
4063151 CIFC18 H35 N3 O4 Si2P c a b13.9806; 15.5986; 22.644
90; 90; 90
4938.1Organometallics, 2004
4063363 CIFC11 H13 Cl Pd SP c a b7.778; 15.665; 19.09
90; 90; 90
2326Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola
Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation
Organometallics, 2011, 30, 230
4068472 CIFC14 H4 F5 P S2P c a b11.0038; 14.7512; 15.7784
90; 90; 90
2561.1Ren, Yi; Dienes, Yvonne; Hettel, Sonja; Parvez, Masood; Hoge, Berthold; Baumgartner, Thomas
Highly Fluorinated Dithieno[3,2-b:2′,3′-d]phospholes with Stabilized LUMO Levels
Organometallics, 2009, 28, 734
4069749 CIFC48 H80 B N9 Si2 SrP c a b19.1624; 20.4613; 27.5283
90; 90; 90
10793.5Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele
Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies
Organometallics, 2009, 28, 4550
4069878 CIFC20 H31 Ni PP c a b11.668; 12.848; 25.332
90; 90; 90
3797.5Hussain, Mazhar; Kohser, Stefanie; Janssen, Karin; Wartchow, Rudolf; Butenschön, Holger
The First η5-Indenylnickel Chelate Complexes with a Pendant Phosphane Tether
Organometallics, 2009, 28, 5212
4069958 CIFC80 H78 P6 Pt3 Si2P c a b17.369; 19.512; 42.733
90; 90; 90
14482.4Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio
Synthesis and Structure of a Trinuclear Platinum Complex with μ3-Silylyne Ligands Derived from a Disilane
Organometallics, 2009, 28, 4629
4071089 CIFC24 H29 F6 Fe N2 P PdP c a b16.99; 17.24; 17.647
90; 90; 90
5168.9Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida
Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}
Organometallics, 2008, 27, 4288
4071349 CIFC35 H48 Cl2 N4 TiP c a b13.2517; 42.872; 13.2474
90; 90; 90
7526.2Lorber, Christian; Vendier, Laure
Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes
Organometallics, 2008, 27, 2774
4071688 CIFC17 H21 Cl2 N TiP c a b13.201; 14.92; 17.373
90; 90; 90
3421.77Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul
CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts
Organometallics, 2008, 27, 3907
4072572 CIFC23 H37 N O S Si TiP c a b14.7578; 15.198; 20.8733
90; 90; 90
4681.7Lian, Bing; Thomas, Christophe M.; Navarro, Christophe; Carpentier, Jean-François
“Constrained Geometry” Titanium Complexes: Exceptionally Robust Systems for Living Polymerization of Methacrylates at High Temperature and Model Studies toward Chain Transfer Polymerization with Thiols
Organometallics, 2007, 26, 187
4072583 CIFC16 H16 O5 S4 W2P c a b6.7919; 23.052; 25.445
90; 90; 90
3983.8Hossain, Md. Munkir; Lin, Hsiu-Mei; Shyu, Shin-Guang
Formation of a Dithiophosphinate Ligand Ph2PS2by Sulfur Insertion into the Metal−Phosphido Bond on Heterobimetallic Phosphido-Bridged Complex Cp(CO)2W(μ-PPh2)Mo(CO)5: A Rare Example of a Neutral Six-Electron Mixed-Metal Cluster with a Mo2WS4Core
Organometallics, 2007, 26, 685
4072728 CIFC54.5 H38 Cl3 F10 P2 Pt2P c a b17.376; 24.139; 25.194
90; 90; 90
10567.3Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena
Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2]
Organometallics, 2007, 26, 1161
4072936 CIFC16 H18 I2 O TeP c a b9.3437; 18.924; 20.531
90; 90; 90
3630.3Chauhan, Ashok K. S.; Singh, Puspendra; Kumar, Arun; Srivastava, Ramesh C.; Butcher, Ray J.; Duthie, Andrew
Room-Temperature Insertion of Elemental Tellurium into the Csp3−Br and −I Bonds of α-Bromo- and α-Iodopinacolone
Organometallics, 2007, 26, 1955
4073909 CIFC23 H17 Cl Mn N3 O8P c a b13.223; 14.573; 24.6375
90; 90; 90
4747.6Ruiz, Javier; Perandones, Bernabé F.; García, Gabriel; Mosquera, Marta E. G.
Synthesis of N-Heterocyclic Carbene Complexes of Manganese(I) by Coupling Isocyanide Ligands with Propargylamines and Propargylic Alcohols§
Organometallics, 2007, 26, 5687
4075754 CIFC20 H28 Cu2 F6 O4P c a b10.284; 21.386; 22.061
90; 90; 90
4852Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio
Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions
Organometallics, 2005, 24, 819
4076118 CIFC25 H34 Cl Fe Ga O2P c a b16.8447; 17.0707; 17.7094
90; 90; 90
5092.35Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.
Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors
Organometallics, 2005, 24, 5879
4076130 CIFC37.5 H46.5 Cl3 Fe3 In2 O6P c a b14.981; 21.521; 29.839
90; 90; 90
9620.3Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.
Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors
Organometallics, 2005, 24, 5879
4076132 CIFC28 H20 Fe4 I2 In2 O8P c a b7.5598; 18.7946; 23.1101
90; 90; 90
3283.56Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.
Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors
Organometallics, 2005, 24, 5879
4077469 CIFC27 H33 O3 PP c a b12.32; 37.838; 10.216
90; 90; 90
4762Romain, Jeff K.; Ribblett, Jason W.; Byrn, Robert W.; Snyder, Richard D.; Storhoff, Bruce N.; Huffman, John C.
Synthesis and Properties of Phenyl Phosphines with Meta-Positioned Methyl Groups and the X-ray Structure of Tris(3,5-dimethyl-4-methoxyphenyl)phosphine
Organometallics, 2000, 19, 2047
4078875 CIFC74 H65 In N4 O3 Si2P c a b16.5875; 18.1081; 40.2373
90; 90; 90
12086Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands
Organometallics, 2012, 31, 5511
4079211 CIFC20 H17 N OP c a b7.118; 19.666; 21.805
90; 90; 90
3052.3González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego
Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes
Organometallics, 2012, 31, 6572
4080548 CIFC51 H83 Cl Ir N O2 P2P c a b16.799; 18.206; 33.473
90; 90; 90
10237Chang, Yung-Hung; Nakajima, Yumiko; Ozawa, Fumiyuki
A Bis(phosphaethenyl)pyridine Complex of Iridium(I): Synthesis and Catalytic Application toN-Alkylation of Amines with Alcohols
Organometallics, 2013, 32, 2210
4083163 CIFC36 H28 F P SnP c a b10.904; 18.628; 28.006
90; 90; 90
5689Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens
Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions
Organometallics, 2014, 33, 2409
4084335 CIFC40 H35 Co F10 N P3P c a b15.97; 24.4817; 19.5063
90; 90; 90
7626.43Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian
Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles
Organometallics, 2014, 33, 5440
4084583 CIFC66 H86 B0 Br F0 Fe N2 P2P c a b18.058; 23.918; 27.749
90; 90; 90
11985Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki
Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC
Organometallics, 2014, 33, 6700
4085404 CIFC23 H30 Be N2P c a b14.1614; 17.0899; 17.9197
90; 90; 90
4336.9Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele
Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments
Organometallics, 2015, 34, 653
4088556 CIFC37 B F4 Fe N P2P c a b17.24; 17.913; 24.442
90; 90; 90
7548.2Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho
Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues
Organometallics, 2016, 35, 1151
4100308 CIFC14 H10 Co O4P c a b10.5031; 18.9228; 25.0747
90; 90; 90
4983.55Journal of the American Chemical Society, 2005
4100313 CIFC28 H20 Co Mn O8P c a b10.6761; 19.1023; 24.9963
90; 90; 90
5097.7Journal of the American Chemical Society, 2005
4101140 CIFC76 H86 Al Br N2 O4 P2P c a b22.3928; 22.5503; 25.8204
90; 90; 90
13038.4Journal of the American Chemical Society, 2006
4101657 CIFC14 H16 Cl2 O3P c a b9.0904; 10.349; 30.9898
90; 90; 90
2915.41Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo
Chemical and biological studies of nakiterpiosin and nakiterpiosinone.
Journal of the American Chemical Society, 2010, 132, 371-383
4107683 CIFC32 H47 Br N UP c a b16.369; 18.632; 19.616
90; 90; 90
5982.6Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger
Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding
Journal of the American Chemical Society, 2008, 130, 5272-5285
4108633 CIFC14 H16 O6P c a b8.784; 14.031; 22.2306
90; 90; 90
2739.88Manon Chaumontet; Riccardo Piccardi; Nicolas Audic; Julien Hitce; Jean-Louis Peglion; Eric Clot; Olivier Baudoin
Synthesis of Benzocyclobutenes by Palladium-Catalyzed C-H Activation of Methyl Groups: Method and Mechanistic Study
Journal of the American Chemical Society, 2008, 130, 15157-15166
4109438 CIFC76 H86 Cl3 N7 PdP c a b14.106; 19.03; 48.863
90; 90; 90
13117Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka
Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals
Journal of the American Chemical Society, 2007, 129, 6392-6393
4112699 CIFC80 H94P c a b17.2333; 24.8954; 29.6704
90; 90; 90
12729.5Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen
Graphitic Molecules with Partial "Zig/Zag" Periphery
Journal of the American Chemical Society, 2004, 126, 7794-7795
4114162 CIFC60 H38 I2 N4 NiP c a b12.973; 19.9685; 35.238
90; 90; 90
9128.5Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski
Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization
Journal of the American Chemical Society, 2003, 125, 11484-11485
4114163 CIFC50 H28 Br2 Cl6 N4 NiP c a b13.044; 19.26; 35.51
90; 90; 90
8921Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski
Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization
Journal of the American Chemical Society, 2003, 125, 11484-11485
4114459 CIFC29 H43 O7 RbP c a b14.2054; 19.0969; 21.498
90; 90; 90
5832Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge
An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide
Journal of the American Chemical Society, 2003, 125, 15002-15003
4114614 CIFC88 H62 F24 N8 P4 RuP c a b16.355; 16.69; 60.729
90; 90; 90
16577Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal
A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations
Journal of the American Chemical Society, 2002, 124, 1364-1377
4114865 CIFC29 H36 P RhP c a b16.305; 17.315; 18.344
90; 90; 90
5178.9Helmut Werner; Ralf Wiedemann; Matthias Laubender; Bettina Windmüller; Paul Steinert; Olaf Gevert; Justin Wolf
Unusual Pathways for Metal-Assisted C-C and C-P Coupling Reactions Using Allenylidenerhodium Complexes as Precursors
Journal of the American Chemical Society, 2002, 124, 6966-6980
4135205 CIFC32 H28 N6 O7 RuP c a b14.4913; 18.099; 25.5467
90; 90; 90
6700.3Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai
Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.
Journal of the American Chemical Society, 2020, 142, 15020-15026

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