Crystallography Open Database

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4070551 CIFC35 H57 Fe N2 O Sc Si2I b a 268.24; 10.606; 19.858
90; 90; 90		14372Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.
Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand
Organometallics, 2008, 27, 363
4070621 CIFC23 H26 B N7 O Ru S3I b a 225.124; 13.124; 16.4268
90; 90; 90		5416.37Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C.
Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ru\ρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6)
Organometallics, 2008, 27, 381
4070781 CIFC23 H26 Cl Ir N2 O2I b a 224.62; 24.621; 8.4498
90; 90; 90		5122Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.
Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System
Organometallics, 2008, 27, 202
4071552 CIFC8.5 H4 Fe2 O6 S2I b a 211.825; 17.627; 12.708
90; 90; 90		2649Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei
Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes
Organometallics, 2008, 27, 3225
4073951 CIFC18 H23 Br2 N3 PdI b a 216.99; 24.792; 9.693
90; 90; 90		4082.8Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng
Syntheses and Characterizations of Pd(II) Complexes Incorporating aN-Heterocyclic Carbene and AromaticN-Heterocycles
Organometallics, 2007, 26, 6447
4083676 CIFC42 H54 N4 O Yb2I b a 220.31; 42.705; 9.543
90; 90; 90		8277Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng
Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes
Organometallics, 2007, 26, 1934
4086047 CIFC66 H69 Cl N P3 RhI b a 219.6864; 53.858; 10.8386
90; 90; 90		11491.8Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars
Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3‒H Metal Interaction
Organometallics, 2015, 34, 3629
4088183 CIFC27 H43 P2 RuI b a 215.0644; 29.8369; 11.2616
90; 90; 90		5061.8Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng
Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation
Organometallics, 2016, 35, 181
4101250 CIFC52 H45 Br2 Ir N2 O2 S2I b a 246.929; 11.5729; 17.8941
90; 90; 90		9718.4Evans, Nicholas R; Sudha Devi, Lekshmi; Mak, Chris S K; Watkins, Scott E; Pascu, Sofia I; Köhler, Anna; Friend, Richard H; Williams, Charlotte K; Holmes, Andrew B
Triplet energy back transfer in conjugated polymers with pendant phosphorescent iridium complexes.
Journal of the American Chemical Society, 2006, 128, 6647-6656
4103688 CIFC52.75 H74.75 Fe2 O2I b a 227.5; 19.024; 19.263
90; 90; 90		10077.6Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power
Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds
Journal of the American Chemical Society, 2010, 132, 17399-17401
4103689 CIFC49 H66 Cr Fe O2I b a 228.5365; 18.6658; 18.8017
90; 90; 90		10014.8Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power
Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds
Journal of the American Chemical Society, 2010, 132, 17399-17401
4103690 CIFC52.75 H74.75 Fe Mn O2I b a 227.3962; 19.0486; 19.3019
90; 90; 90		10072.9Hao Lei; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Philip P. Power
Two-Coordinate First Row Transition Metal Complexes with Short Unsupported Metal-Metal Bonds
Journal of the American Chemical Society, 2010, 132, 17399-17401
4104204 CIFC50 H45 Br2 Cl3 N4I b a 222.2091; 22.2174; 36.397
90; 90; 90		17959.3Hakan Usta; Chad Risko; Zhiming Wang; Hui Huang; Murat K. Deliomeroglu; Aleksandr Zhukhovitskiy; Antonio Facchetti; Tobin J. Marks
Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory
Journal of the American Chemical Society, 2009, 131, 5586-5608
4105532 CIFC216 H180 B12 Cu6 F48 N54I b a 231.7261; 56.9758; 29.7638
90; 90; 90		53802Andrew Stephenson; Stephen P. Argent; Thomas Riis-Johannessen; Ian S. Tidmarsh; Michael D. Ward
Structures and Dynamic Behavior of Large Polyhedral Coordination Cages: An Unusual Cage-to-Cage Interconversion
Journal of the American Chemical Society, 2011, 133, 858-870
4108259 CIFC22 H32 N4I b a 217.3647; 20.5552; 10.8911
90; 90; 90		3887.41Stephen F. Nelsen; Gaoquan Li; Kevin P. Schultz; Hieu Q. Tran; Ilia A. Guzei; Dennis H. Evans
Alkylated Trimethylene-Bridged Bis(p-Phenylenediamines)
Journal of the American Chemical Society, 2008, 130, 11620-11622
4111832 CIFC7 H9 N OI b a 221.609; 7.4822; 8.2703
90; 90; 90		1337.17Archan Dey; Michael T. Kirchner; Venu R. Vangala; Gautam R. Desiraju; Raju Mondal; Judith A. K. Howard
Crystal Structure Prediction of Aminols: Advantages of a Supramolecular Synthon Approach with Experimental Structures
Journal of the American Chemical Society, 2005, 127, 10545-10559
4112258 CIFC10 H12 O4I b a 213.483; 21.392; 6.8956
90; 90; 90		1988.9Shinji Nomura; Takahito Itoh; Hirofumi Nakasho; Takahiro Uno; Masataka Kubo; Kazuki Sada; Katsunari Inoue; Mikiji Miyata
Crystal Structures and Topochemical Polymerizations of 7,7,8,8-Tetrakis(alkoxycarbonyl)quinodimethanes
Journal of the American Chemical Society, 2004, 126, 2035-2041
4116366 CIFC64 H51 Fe N7 OI b a 238.823; 12.3148; 21.4172
90; 90; 90		10239.5Nathalie Godbout; Lori K. Sanders; Renzo Salzmann; Robert H. Havlin; Mark Wojdelski; Eric Oldfield
Solid-State NMR, Mössbauer, Crystallographic, and Density Functional Theory Investigation of Fe-O2 and Fe-O2 Analogue Metalloporphyrins and Metalloproteins
Journal of the American Chemical Society, 1999, 121, 3829-3844
4119101 CIFC26 H30 Cu N4I b a 211.437; 21.583; 9.476
90; 90; 90		2339Park, Kyung-Ho; Marshall, Will J.
Remarkably Volatile Copper(II) Complexes ofN,N‘-Unsymmetrically Substituted 1,3-Diketimines as Precursors for Cu Metal Deposition via CVD or ALD
Journal of the American Chemical Society, 2005, 127, 9330-9331
4132965 CIFC19.25 H18.75 N2 O4.125I b a 221.8904; 22.987; 6.9137
90; 90; 90		3478.94Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan
Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.
Journal of the American Chemical Society, 2018, 140, 11829-11835
4134931 CIFC14 H21 N OI b a 216.9364; 18.8622; 16.6935
90; 90; 90		5332.9Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří
Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.
Journal of the American Chemical Society, 2020
4135049 CIFC79 H96 Br4 Co2 F12 N8 O13 P2I b a 217.948; 20.058; 22.915
90; 90; 90		8249Gransbury, Gemma K.; Livesay, Brooke N.; Janetzki, Jett T.; Hay, Moya A.; Gable, Robert W.; Shores, Matthew P.; Starikova, Alyona; Boskovic, Colette
Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes.
Journal of the American Chemical Society, 2020
4301122 CIFC19.5 H26 N4 O4.5I b a 226.188; 10.947; 14.206
90; 90; 90		4072.6Marie Heitzmann; Florence Bravard; Christelle Gateau; Nathalie Boubals; Claude Berthon; Jacques Pécaut; Marie-Christine Charbonnel; Pascale Delangle
Comparison of Two Tetrapodal N,O Ligands: Impact of the Softness of the Heterocyclic N-Donors Pyridine and Pyrazine on the Selectivity for Am(III) over Eu(III)
Inorganic Chemistry, 2009, 48, 246-256
4302018 CIFC73.5 H70 Fe2 N6 OI b a 219.8707; 39.4031; 15.1038
90; 90; 90		11825.8Edward C. Weintrob; Daniel Tofan; John E. Bercaw
Synthesis and Characterization of Iron Derivatives Having a Pyridine-Linked Bis(anilide) Pincer Ligand
Inorganic Chemistry, 2009, 48, 3808-3813
4306792 CIFC43 H49.5 F N4 Ni O4I b a 226.765; 31.067; 9.5837
90; 90; 90		7968.9Anna Arola-Arnal; Jordi Benet-Buchholz; Stephen Neidle; Ramón Vilar
Effects of Metal Coordination Geometry on Stabilization of Human Telomeric Quadruplex DNA by Square-Planar and Square-Pyramidal Metal Complexes
Inorganic Chemistry, 2008, 47, 11910-11919
4309308 CIFC15 H39.5 Cl0.5 Li N4 O16 P TbI b a 233.968; 9.192; 16.913
90; 90; 90		5280.8Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš
Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants
Inorganic Chemistry, 2005, 44, 5591-5599
4311629 CIFC5 H21 Co N4 O7 S2I b a 219.913; 12.094; 11.754
90; 90; 90		2831Basam M. Alzoubi; Günter Liehr; Rudi van Eldik
Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents
Inorganic Chemistry, 2004, 43, 6093-6100
4314847 CIFC50 H62 Au Cl2 F6 N4 P S2I b a 216.8989; 31.95473; 19.98864
90; 90; 90		10793.9Saira Naeem; Lionel Delaude; Andrew J. P. White; James D. E. T. Wilton-Ely
The Use of Imidazolium-2-dithiocarboxylates in the Formation of Gold(I) Complexes and Gold Nanoparticles
Inorganic Chemistry, 2010, 49, 1784-1793
4316476 CIFC8 H20 Au2 O4 P2 Se4I b a 219.2519; 8.7533; 11.9519
90; 90; 90		2014.1Hong-Jhin You; Ching-Shiang Fang; Ju-Ling Lin; Shih-Sheng Sun; C. W. Liu
Dinuclear Gold Diselenophosphate Complexes: Structures and Photoluminescence
Inorganic Chemistry, 2010, 49, 7641-7643
4317256 CIFC36 H81 Cr O5 SiI b a 219.15; 36.173; 11.3317
90; 90; 90		7849.6Stanislav Groysman; Dino Villagrán; Daniel G. Nocera
Pseudotetrahedral d0, d1, and d2 Metal-Oxo Cores within a Tris(alkoxide) Platform
Inorganic Chemistry, 2010, 49, 10759-10761
4322206 CIFC20 H40 Al2 B2 O2I b a 219.142; 9.876; 12.846
90; 90; 90		2428.5Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski
Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In
Inorganic Chemistry, 1999, 38, 3796-3800
4322367 CIFC25 H41 Cl N6 O4 Pd2 S4I b a 219.056; 11.248; 16.188
90; 90; 90		3469.8Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations
Inorganic Chemistry, 1999, 38, 5453-5456
4323317 CIFC16 H42 Cl4 N4 W2I b a 211.6704; 13.336; 17.321
90; 90; 90		2695.8F. Albert Cotton; Evgeny V. Dikarev; N. Nawar; Wai-Yeung Wong
W2Cl4(NR2)2(PR'3)2 Molecules. 4. A New Synthetic Route to Products with a Staggered Conformation. Preparations and Characterizations of W2Cl4(NR2)2(PR'3)2 (R = Et, Bu, Hex; R'3= Me3, Et2H) and an Intermediate Complex W2Cl4(NEt2)2(NHEt2)2
Inorganic Chemistry, 1997, 36, 559-566
4323689 CIFC41.75 H39 B Cl6.5 Co F0 N0 O0.13 P3I b a 223.452; 23.483; 33.697
90; 90; 90		18558Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober
Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity
Inorganic Chemistry, 1997, 36, 5457-5469
4324306 CIFC30 H28 Fe N10 O S2I b a 229.549; 12.5168; 18.6829
90; 90; 90		6910Feng-Lei Yang; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng
Temperature-Dependent in Situ Ligand Cyclization via C=C Coupling and Formation of a Spin-Crossover Iron(II) Coordination Polymer
Inorganic Chemistry, 2011, 50, 911-917
4327195 CIFC8 H10 Br2 Cl4 N4 Ni O2 ReI b a 26.8978; 13.1462; 23.8569
90; 90; 90		2163.3José Martínez-Lillo; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus
First Magnetostructural Study on a Heterodinuclear 2,2'-Bipyrimidine-Bridged Complex
Inorganic Chemistry, 2011, 50, 12405-12407
4333527 CIFC36 H36 Li4 N4 O10I b a 228.467; 28.594; 12.96
90; 90; 90		10549Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon
Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites
Inorganic Chemistry, 2013, 52, 589-595
4333528 CIFC36 H31 Li4 N3 O12I b a 228.71; 28.737; 12.883
90; 90; 90		10629Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon
Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites
Inorganic Chemistry, 2013, 52, 589-595
4337924 CIFC26 H39 I2 O3 UI b a 222.2642; 24.4304; 12.265
90; 90; 90		6671.2Kiernicki, John J.; Newell, Brian S.; Matson, Ellen M.; Anderson, Nickolas H.; Fanwick, Phillip E.; Shores, Matthew P.; Bart, Suzanne C.
Multielectron C-O Bond Activation Mediated by a Family of Reduced Uranium Complexes.
Inorganic chemistry, 2014, 53, 3730
4340087 CIFC38 H34 Ag2 N8 O6I b a 223.407; 29.545; 29.171
90; 90; 90		20173Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340088 CIFC38 H34 Ag2 N8 O6I b a 223.2918; 27.1541; 31.0404
90; 90; 90		19632.1Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340089 CIFC40 H38 Ag2 N8 O6I b a 223.3024; 29.3223; 29.7087
90; 90; 90		20299.4Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340090 CIFC38 H34 Ag2 N8 O8I b a 223.2149; 27.5663; 30.2911
90; 90; 90		19384.8Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340092 CIFC40 H38 Ag2 N8 O6I b a 223.1895; 29.6451; 29.5164
90; 90; 90		20291.2Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340093 CIFC40 H38 Ag2 N8 O6I b a 223.3285; 27.992; 30.8373
90; 90; 90		20137.1Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340094 CIFC42 H42 Ag2 N8 O6I b a 223.3987; 28.2329; 30.8115
90; 90; 90		20354.5Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340095 CIFC40 H38 Ag2 N8 O8I b a 223.2372; 28.5061; 29.7162
90; 90; 90		19684.1Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340096 CIFC40 H38 Ag2 N8 O8I b a 222.9914; 29.758; 28.7883
90; 90; 90		19696.3Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4340097 CIFC42 H42 Ag2 N8 O10I b a 223.335; 30.373; 27.34
90; 90; 90		19377Handke, Marcel; Weber, Hanna; Lange, Marcus; Möllmer, Jens; Lincke, Jörg; Gläser, Roger; Staudt, Reiner; Krautscheid, Harald
Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution.
Inorganic chemistry, 2014, 53, 7599-7607
4344032 CIFC40 H35 B F2 Fe N2 O4I b a 218.72; 48.938; 8.0507
90; 90; 90		7375.4Zatsikha, Yuriy V.; Maligaspe, Eranda; Purchel, Anatolii A.; Didukh, Natalia O.; Wang, Yefeng; Kovtun, Yuriy P.; Blank, David A.; Nemykin, Victor N.
Tuning Electronic Structure, Redox, and Photophysical Properties in Asymmetric NIR-Absorbing Organometallic BODIPYs.
Inorganic chemistry, 2015, 54, 7915-7928

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