Crystallography Open Database

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4132295 CIFC42 H18 F12P b c n13.1526; 19.5199; 12.3721
90; 90; 90
3176.38Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.
Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.
Journal of the American Chemical Society, 2018, 140, 6014-6026
4132517 CIFC51 H82 Ni2 O2 P2P b c n32.625; 9.9735; 28.5895
90; 90; 90
9302.6Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben
Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.
Journal of the American Chemical Society, 2018, 140, 8771-8780
4132667 CIFC16.67 H22.67 B0.67 N2P b c n29.725; 8.1656; 18.9301
90; 90; 90
4594.8Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger
Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.
Journal of the American Chemical Society, 2018, 140, 10524-10529
4132677 CIFC46 H54 N2 O10P b c n15.482; 16.274; 15.976
90; 90; 90
4025.2Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis
Use of a "Shoe-Last" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.
Journal of the American Chemical Society, 2018, 140, 10104-10108
4133012 CIFC46 H64 B11 N O7P b c n23.6242; 19.1081; 22.3852
90; 90; 90
10105Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon
Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.
Journal of the American Chemical Society, 2018, 140, 13798-13807
4133069 CIFC38 H58 F12 Fe2 N10 O11 S4P b c n16.8056; 12.9548; 25.241
90; 90; 90
5495.3Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.
Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.
Journal of the American Chemical Society, 2018, 140, 14807-14822
4133175 CIFC48 H84 Cu K2 N12 O8P b c n14.10475; 22.8433; 17.8727
90; 90; 90
5758.57Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac
Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.
Journal of the American Chemical Society, 2018, 140, 16625-16634
4133822 CIFC39 H34 N4 OP b c n35.075; 9.9908; 8.8263
90; 90; 90
3093Sindt, Ammon J.; DeHaven, Baillie A.; Goodlett, Dustin W.; Hartel, Johannes O.; Ayare, Pooja J.; Du, Yong; Smith, Mark D.; Mehta, Anil K.; Brugh, Alexander M.; Forbes, Malcolm D. E.; Bowers, Clifford R.; Vannucci, Aaron K.; Shimizu, Linda S.
Guest Inclusion Modulates Concentration and Persistence of Photogenerated Radicals in Assembled Triphenylamine Macrocycles.
Journal of the American Chemical Society, 2019
4134164 CIFC18 H34 Co N7 O2P b c n10.0903; 16.1879; 14.6275
90; 90; 90
2389.27Wang, Junhao; Zakrzewski, Jakub J.; Heczko, Michal; Zychowicz, Mikolaj; Nakagawa, Kosuke; Nakabayashi, Koji; Sieklucka, Barbara; Chorazy, Szymon; Ohkoshi, Shin-Ichi
Proton Conductive Luminescent Thermometer Based on Near-Infrared Emissive {YbCo<sub>2</sub>} Molecular Nanomagnets.
Journal of the American Chemical Society, 2020, 142, 3970-3979
4134248 CIFC85 H69 Cl3 N8P b c n27.3673; 24.3761; 25.0658
90; 90; 90
16721.6Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang
Toward the synthesis of a highly strained hydrocarbon belt.
Journal of the American Chemical Society, 2020
4134322 CIFC31 H33 N5 O5P b c n27.5137; 13.8315; 7.3394
90; 90; 90
2793.05Li, Xing; Qiao, Jingsi; Chee, See Wee; Xu, Hai-Sen; Zhao, Xiaoxu; Choi, Hwa Seob; Yu, Wei; Quek, Su Ying; Mirsaidov, Utkur; Loh, Kian Ping
Rapid, Scalable Construction of Highly Crystalline Acylhydrazone Two-Dimensional Covalent Organic Frameworks via Dipole-Induced Antiparallel Stacking.
Journal of the American Chemical Society, 2020
4134611 CIFC24 H15 N3 O6P b c n26.4904; 41.3829; 30.8788
90; 90; 90
33851Li, Yu-Lin; Alexandrov, Eugeny V.; Yin, Qi; Li, Lan; Fang, Zhi-Bin; Yuan, Wenbing; Proserpio, Davide M.; Liu, Tian-Fu
Record Complexity in the Polycatenation of Three Porous Hydrogen-bonded Organic Frameworks with Stepwise Adsorption Behaviors.
Journal of the American Chemical Society, 2020
4134784 CIFC38 H60 Br Co N3 OP b c n39.604; 12.148; 15.6435
90; 90; 90
7526.2Sengupta, Debabrata; Sandoval-Pauker, Christian; Schueller, Emily C.; Encerrado-Manriquez, Angela M; Metta-Magana, Alejandro J; Lee, Wen-Yee; Seshadri, Ram; Pintér, Balázs; Fortier, Skye
Isolation of a Bimetallic Cobalt(III) Nitride and Examination of Its Hydrogen Atom Abstraction Chemistry and Reactivity Towards H2.
Journal of the American Chemical Society, 2020
4134832 CIFC48 H86 Cr4 N2 Si4P b c n11.8059; 20.8085; 43.452
90; 90; 90
10674.6Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin
Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.
Journal of the American Chemical Society, 2020
4134907 CIFC438 H420 Cd6 F36 N60 O60 S12P b c n24.8897; 50.19; 90.1828
90; 90; 90
112658Zhang, Dawei; Ronson, Tanya K.; Xu, Lin; Nitschke, Jonathan R.
Transformation Network Culminating in a Heteroleptic Cd<sub>6</sub>L<sub>6</sub>L'<sub>2</sub> Twisted Trigonal Prism.
Journal of the American Chemical Society, 2020, 142, 9152-9157
4135048 CIFC59.5 H62 Br4 Co2 F12 N8 O6.5 P2P b c n21.6; 15; 20.22
90; 90; 90
6551Gransbury, 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
4135050 CIFC29 H40 Br4 O6P b c n18.36149; 7.57018; 22.8673
90; 90; 90
3178.55Gransbury, 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
4135240 CIFC50 H40 Br4 Cl4 F12 N8 Ni2P b c n13.8725; 12.4952; 15.8443
90; 90; 90
2746.4Börjesson, Marino; Janssen-Müller, Daniel; Sahoo, Basudev; Duan, Yaya; Wang, Xueqiang; Martin, Ruben
Remote sp<sup>2</sup> C-H Carboxylation via Catalytic 1,4-Ni Migration with CO<sub>2</sub>.
Journal of the American Chemical Society, 2020, 142, 16234-16239
4135347 CIFC78 H88 Br12 O14P b c n13.8496; 23.998; 25.2072
90; 90; 90
8377.93Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe
Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.
Journal of the American Chemical Society, 2020, 142, 19722-19730
4135348 CIFC60 H66 Br10 O11P b c n24.4691; 20.7774; 12.8545
90; 90; 90
6535.3Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe
Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.
Journal of the American Chemical Society, 2020, 142, 19722-19730
4300116 CIFC30 H34 Cl4 N6 O3 Re2P b c n14.384; 10.265; 23.571
90; 90; 90
3480Enzo Alessio; Ennio Zangrando; Elisabetta Iengo; Michela Macchi; Patricia A. Marzilli; Luigi G. Marzilli
Understanding the Orientation and Dynamic Motion of Planar Heterocyclic N-Donor Ligands by Exploiting the Symmetry Properties of Mixed-Ligand μ-Oxorhenium(V) Dinuclear Complexes [ReOCl2(L)(L')]-O-[ReOCl2(L)(L')]: A Combined X-ray Structural and Dynamic NMR Investigation
Inorganic Chemistry, 2000, 39, 294-303
4300129 CIFC32 H55 Mo N O S4 SeP b c n25.5665; 16.8041; 17.1866
90; 90; 90
7383.7Booyong S. Lim; James P. Donahue; R. H. Holm
Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family
Inorganic Chemistry, 2000, 39, 263-273
4300161 CIFC16 H42 N4 Si4 SnP b c n10.998; 12.154; 20.084
90; 90; 90
2684.6Stephen R. Foley; Yuanlin Zhou; Glenn P. A. Yap; Darrin S. Richeson
Synthesis of MII[N(SiMe3)2][Me3SiNC(tBu)NSiMe3] (M = Sn, Ge) from Amidinate Precursors: Active Catalysts for Phenyl Isocyanate Cyclization
Inorganic Chemistry, 2000, 39, 924-929
4300170 CIFC35 H43 I3 N4 Ni O2P b c n15.121; 16.777; 14.628
90; 90; 90
3710.9Pamela A. Lord; Marilyn M. Olmstead; Alan L. Balch
Redox Characteristics of Nickel and Palladium Complexes of the Open-Chain Tetrapyrrole Octaethylbilindione: A Biliverdin Model
Inorganic Chemistry, 2000, 39, 1128-1134
4300171 CIFC35 H43 I3 N4 O2 PdP b c n15.2236; 16.7638; 14.6289
90; 90; 90
3733.4Pamela A. Lord; Marilyn M. Olmstead; Alan L. Balch
Redox Characteristics of Nickel and Palladium Complexes of the Open-Chain Tetrapyrrole Octaethylbilindione: A Biliverdin Model
Inorganic Chemistry, 2000, 39, 1128-1134
4300207 CIFC32 H55 N O S5 WP b c n25.4814; 16.9145; 17.1093
90; 90; 90
7374.2Kie-Moon Sung; R. H. Holm
Synthesis and Structures of Bis(dithiolene)-Tungsten(IV) Complexes Related to the Active Sites of Tungstoenzymes
Inorganic Chemistry, 2000, 39, 1275-1281
4300209 CIFC32 H55 N O S4 Se WP b c n25.5714; 16.8328; 17.2163
90; 90; 90
7410.6Kie-Moon Sung; R. H. Holm
Synthesis and Structures of Bis(dithiolene)-Tungsten(IV) Complexes Related to the Active Sites of Tungstoenzymes
Inorganic Chemistry, 2000, 39, 1275-1281
4300375 CIFC24 H20 Co3 N4 O12P b c n18.458; 12.0616; 11.4859
90; 90; 90
2557.2Inorganic Chemistry, 2006
4300376 CIFC24 H20 Cu3 N4 O12P b c n18.2119; 11.6847; 12.0688
90; 90; 90
2568.2Inorganic Chemistry, 2006
4300445 CIFC24 H54 Fe S2 Si2P b c n19.382; 17.872; 17.842
90; 90; 90
6180.4Inorganic Chemistry, 2006
4300551 CIFC39 H44 N7 O3 PtP b c n13.84; 23.17; 23.38
90; 90; 90
7499Wei-Hsuan Chen; Eric W. Reinheimer; Kim R. Dunbar; Mohammed A. Omary
Inorganic Chemistry, 2006
4300819 CIFC30 H26 B2 Fe I2 N12P b c n18.025; 8.707; 20.7543
90; 90; 90
3257.3Daniel L. Reger; James R. Gardinier; Mark D. Smith; Ahmed M. Shahin; Gary J. Long; Leila Rebbouh; Fernande Grandjean
Polymorphism in Fe[(p-IC6H4)B(3-Mepz)3]2 (pz = Pyrazolyl): Impact of Supramolecular Structure on an Iron(II) Electronic Spin-State Crossover
Inorganic Chemistry, 2005, 44, 1852-1866
4300944 CIFC14 H18 N O7 PrP b c n21.9415; 7.7878; 19.6649
90; 90; 90
3360.3de Lill, Daniel T.; Gunning, Noel S.; Cahill, Christopher L.
Toward Templated Metal-Organic Frameworks: Synthesis, Structures, Thermal Properties, and Luminescence of Three Novel Lanthanide-Adipate Frameworks
Inorganic Chemistry, 2005
4301281 CIFC74 H60 B2 Cd Cl4 F8 Fe4 N8P b c n11.9587; 25.393; 22.5542
90; 90; 90
6849Nabanita Sadhukhan; Jitendra K. Bera
Mixed-Metal Assemblies Involving Ferrocene-Naphthyridine Hybrids
Inorganic Chemistry, 2009, 48, 978-990
4301447 CIFC24 H18 N2 O2P b c n28.8215; 6.9172; 18.2398
90; 90; 90
3636.4Jacob Schneider; Pingwu Du; Xiaoyong Wang; William W. Brennessel; Richard Eisenberg
Synthesis, Electrochemistry, Photophysics, and Solvatochromism in New Cyclometalated 6-Phenyl-4-(p-R-phenyl)-2,2'-bipyridyl (R = Me, COOMe, P(O)(OEt)2) (C^N^N) Platinum(II) Thiophenolate Chromophores
Inorganic Chemistry, 2009, 48, 1498-1506
4301610 CIFC16 H38 N4 WP b c n12.759; 9.307; 18.244
90; 90; 90
2166.44Hamid Choujaa; Samuel D. Cosham; Andrew L. Johnson; Graeme R. Kafka; Mary F. Mahon; Sarah L. Masters; Kieran C. Molloy; David W. H. Rankin; Heather E. Robertson; Derek A. Wann
Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2 and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species
Inorganic Chemistry, 2009, 48, 2289-2299
4302007 CIFC12 H16 Cl N2 O8 SmP b c n8.892; 19.643; 10.076
90; 90; 90
1759.9Wentong Chen; Shunichi Fukuzumi
Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
Inorganic Chemistry, 2009, 48, 3800-3807
4302008 CIFC12 H16 Cl Eu N2 O8P b c n8.882; 19.625; 10.048
90; 90; 90
1751.5Wentong Chen; Shunichi Fukuzumi
Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
Inorganic Chemistry, 2009, 48, 3800-3807
4302009 CIFC12 H16 Cl N2 O8 TbP b c n8.869; 19.589; 10.001
90; 90; 90
1737.5Wentong Chen; Shunichi Fukuzumi
Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
Inorganic Chemistry, 2009, 48, 3800-3807
4302010 CIFC12 H16 Cl Dy N2 O8P b c n8.854; 19.535; 9.946
90; 90; 90
1720.3Wentong Chen; Shunichi Fukuzumi
Ligand-Dependent Ultrasonic-Assistant Self-Assemblies and Photophysical Properties of Lanthanide Nicotinic/Isonicotinic Complexes
Inorganic Chemistry, 2009, 48, 3800-3807
4302478 CIFIn1.843 Sb4 Zn5P b c n7.1619; 17.1562; 8.6887
90; 90; 90
1067.59Yang Wu; Sven Lidin; Thomas L. Groy; Nathan Newman; Ulrich Häussermann
Zn5Sb4In2-δ- a Ternary Derivative of Thermoelectric Zinc Antimonides
Inorganic Chemistry, 2009, 48, 5996-6003
4302706 CIFC24 H32 Mn N10 O8P b c n17.951; 8.001; 20.889
90; 90; 90
3000.2Jian-Bin Lin; Jie-Peng Zhang; Wei-Xiong Zhang; Wei Xue; Dong-Xu Xue; Xiao-Ming Chen
Porous Manganese(II) 3-(2-Pyridyl)-5-(4-Pyridyl)-1,2,4-Triazolate Frameworks: Rational Self-Assembly, Supramolecular Isomerism, Solid-State Transformation, and Sorption Properties
Inorganic Chemistry, 2009, 48, 6652-6660
4302854 CIFC60 H88 Al4 O8P b c n18.4944; 17.8905; 17.8059
90; 90; 90
5891.5Wanda Ziemkowska; Michał Cyrański; Antoni Kunicki
Alkylaluminum Derivatives of Diphenic Acid: Novel Aluminum Carboxylates
Inorganic Chemistry, 2009, 48, 7006-7008
4302873 CIFC37 H57 Cl6 N O2 S TiP b c n9.4683; 18.311; 24.477
90; 90; 90
4243.7Geert-Jan M. Meppelder; Hong-Tao Fan; Thomas P. Spaniol; Jun Okuda
Synthesis, Structure, and Olefin Polymerization Activity of Titanium Complexes Bearing Asymmetric Tetradentate [OSNO]-Type Bis(phenolato) Ligands
Inorganic Chemistry, 2009, 48, 7378-7388
4303192 CIFC70 H48 Cu2 N6 O16P b c n13.9745; 26.897; 17.034
90; 90; 90
6402.6Daniel L. Reger; Agota Debreczeni; Bryn Reinecke; Vitaly Rassolov; Mark D. Smith; Radu F. Semeniuc
Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π-π Stacking, 1,8-Naphthalimide Synthon
Inorganic Chemistry, 2009, 48, 8911-8924
4303236 CIFC44 H82 Mo6 N4 O19P b c n12.576; 38.573; 12.578
90; 90; 90
6102Longsheng Wang; Li Zhu; Panchao Yin; Weiwei Fu; Jiake Chen; Jian Hao; Fengping Xiao; Chunlin Lv; Jin Zhang; Lu Shi; Qiang Li; Yongge Wei
From 0D dimer to 2D Network-Supramolecular Assembly of Organic Derivatized Polyoxometalates with Remote Hydroxyl via Hydrogen Bonding
Inorganic Chemistry, 2009, 48, 9222-9235
4303375 CIFC36 H40 Fe N6 P4 S2P b c n15.0527; 14.9361; 16.0794
90; 90; 90
3615.1Andrew D. Burrows; Ross W. Harrington; Andrew S. Kirk; Mary F. Mahon; Frank Marken; John E. Warren; Michael K. Whittlesey
Synthesis, Characterization, and Electrochemistry of a Series of Iron(II) Complexes Containing Self-Assembled 1,5-Diaza-3,7-diphosphabicyclo[3.3.1]nonane Ligands
Inorganic Chemistry, 2009, 48, 9924-9935
4303621 CIFC16 H24 Ca Cl2 O8P b c n7.374; 23.314; 12.458
90; 90; 90
2141.7Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope
Calcium Complexation by Corticosteroids
Inorganic Chemistry, 2009, 48, 10780-10788
4303907 CIFC34 H58 Ca Cl2 N6 O14P b c n22.423; 12.328; 15.003
90; 90; 90
4147Raquel Ferreirós-Martínez; David Esteban-Gómez; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas
Eight-Coordinate Zn(II), Cd(II), and Pb(II) Complexes Based on a 1,7-Diaza-12-crown-4 Platform Endowed with a Remarkable Selectivity over Ca(II)
Inorganic Chemistry, 2009, 48, 11821-11831
4303909 CIFC34 H58 Cd Cl2 N6 O14P b c n22.601; 12.199; 14.957
90; 90; 90
4123.79Raquel Ferreirós-Martínez; David Esteban-Gómez; Andrés de Blas; Carlos Platas-Iglesias; Teresa Rodríguez-Blas
Eight-Coordinate Zn(II), Cd(II), and Pb(II) Complexes Based on a 1,7-Diaza-12-crown-4 Platform Endowed with a Remarkable Selectivity over Ca(II)
Inorganic Chemistry, 2009, 48, 11821-11831

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