Crystallography Open Database
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COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
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4101395 | CIF | Br Cl Fe2 O10 Te4 | P 1 21/c 1 | 13.2722; 6.5965; 14.2351 90; 108.02; 90 | 1185.15 | Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron. Journal of the American Chemical Society, 2006, 128, 15469-15475 |
1010076 | CIF | Br Cu | F -4 3 m | 5.82; 5.82; 5.82 90; 90; 90 | 197.1 | Wyckoff, R W G; Posnjak, E The Crystal Structures of the Cuprous Halides Journal of the American Chemical Society, 1922, 44, 30-36 |
1008127 | CIF | Br D4 N | P -4 3 m | 4; 4; 4 90; 90; 90 | 64 | Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1008128 | CIF | Br D4 N | P m -3 m | 4.06; 4.06; 4.06 90; 90; 90 | 66.9 | Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1008129 | CIF | Br D4 N | P 4/n m m :1 | 5.826; 5.826; 4.136 90; 90; 90 | 140.4 | Levy, H A; Peterson, S W Neutron Diffraction Determination of the Crystal Structure of Ammonium Bromide in Four Phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
1008920 | CIF | Br D4 N | F m -3 m | 6.9; 6.9; 6.9 90; 90; 90 | 328.5 | Levy, H A; Peterson, S W Neutron diffraction determination of the crystal structure of ammonium bromide in four phases Journal of the American Chemical Society, 1953, 75, 1536-1542 |
4122207 | CIF | Br F3 N2 O5 | C 1 2/c 1 | 9.892; 12.862; 10.141 90; 105.381; 90 | 1244 | Lehmann, John F.; Schrobilgen, Gary J. Synthesis and characterization of salts containing the BrO(3)F(2)(-) anion; a rare example of a bromine(VII) species. Journal of the American Chemical Society, 2005, 127, 9416-9427 |
4124320 | CIF | Br H14 K4 O23 P8 Pt2 | P 4/m b m | 13.131; 13.131; 8.139 90; 90; 90 | 1403.35 | Butler, L.G.; Zietlow, M.H.; Clark, R.J.H.; Gray, H.B.; Che, C.; Grunthaner, P.J.; Sridhar, S.; Schaefer, W.P.; Swanson, B.I. Translational Symmetries in the Linear-Chain Semiconductors K4 (Pt2 (P2 O5 H2)4 X) * n(H2 O) (X = Cl, Br, I) Journal of the American Chemical Society, 1988, 110, 1155-1162 |
1010074 | CIF | Br H4 N | F m -3 m | 6.9; 6.9; 6.9 90; 90; 90 | 328.5 | Bartlett, G; Langmuir, I The Crystal Structure of the Ammonium Halides Above and Below the Transition Temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1011300 | CIF | Br H4 N | P m -3 m | 3.988; 3.988; 3.988 90; 90; 90 | 63.4 | Bartlett, G; Langmuir, I The crystal structure of the ammonium halides above and below the transition temperature Journal of the American Chemical Society, 1921, 43, 84-91 |
1010378 | CIF | Br Na O3 | P 21 3 | 6.71; 6.71; 6.71 90; 90; 90 | 302.1 | Dickinson, R G; Goodhue, E A The Crystal Structures of Sodium Chlorate and Sodium Bromate Journal of the American Chemical Society, 1921, 43, 2045-2055 |
4117065 | CIF | Br1.89 H17.2 O8.6 | P 42/m n m | 23.0436; 23.0436; 12.0745 90; 90; 90 | 6411.7 | Konstantin A. Udachin; Gary D. Enright; Christopher I. Ratcliffe; John A. Ripmeester Structure, Stoichiometry, and Morphology of Bromine Hydrate Journal of the American Chemical Society, 1997, 119, 11481-11486 |
4121641 | CIF | Br2 Cd I2 Rb2 | A m a 2 | 11.764; 12.025; 8.446 90; 90; 90 | 1194.8 | Wu, Qi; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui Rb2CdBr2I2: A New IR Nonlinear Optical Material with a Large Laser Damage Threshold. Journal of the American Chemical Society, 2014, 136, 5683 |
4126915 | CIF | Br2 Cs4 O83 S8 Ti12 | P -1 | 13.5076; 16.1427; 21.3336 69.897; 72.364; 67.624 | 3959.3 | Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng Titanium-Oxide Host Clusters with Exchangeable Guests. Journal of the American Chemical Society, 2017 |
4101394 | CIF | Br2 Fe2 O10 Te4 | P 1 21/c 1 | 13.3964; 6.5966; 14.2897 90; 108.118; 90 | 1200.18 | Becker, Richard; Johnsson, Mats; Kremer, Reinhard K; Klauss, Hans-Henning; Lemmens, Peter Crystal structure and magnetic properties of FeTe2O5X (X=Cl, Br): a frustrated spin cluster compound with a new Te(IV) coordination polyhedron. Journal of the American Chemical Society, 2006, 128, 15469-15475 |
1010855 | CIF | Br2 H18 N6 Ni | 10.48; 10.48; 10.48 90; 90; 90 | 1151 | Wyckoff, R W G The crystal structures of the hexaammoniates of the nickel halides Journal of the American Chemical Society, 1922, 44, 1239-1245 | |
1011077 | CIF | Br2 Hg2 | P 42/m n m | 4.66; 4.66; 11.12 90; 90; 90 | 241.5 | Havighurst, R J Parameters in crystal structure. The mercurouos halides Journal of the American Chemical Society, 1926, 48, 2113-2131 |
1010204 | CIF | Br3 H18 Nd O18 | P 63 m c | 11.73; 11.73; 6.76 90; 90; 120 | 805.5 | Helmholz, L The Crystal Structure of Neodymium Enneahydrate, Nd (Br O~3~)~3~ (H~2~ O)~9~ Journal of the American Chemical Society, 1939, 61, 1544-1550 |
4133380 | CIF | Br3 Mo3 S10 | P 1 21/c 1 | 24.246; 15.3192; 24.56 90; 119.55; 90 | 7936 | Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M. Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution. Journal of the American Chemical Society, 2018, 140, 13618-13622 |
4103825 | CIF | Br3 Tc | P m m n :2 | 11.0618; 5.9755; 6.3873 90; 90; 90 | 422.2 | Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4 Journal of the American Chemical Society, 2009, 131, 910-911 |
4123936 | CIF | Br4 Cs2 Re6 Se8 | P 1 21/n 1 | 6.544; 18.687; 9.263 90; 104.26; 90 | 1097.85 | Long, J.R.; Holm, R.H.; McCarty, L.S. A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction Journal of the American Chemical Society, 1996, 118, 4603-4616 |
4103826 | CIF | Br4 Tc | P b c a | 6.3237; 12.1777; 14.7397 90; 90; 90 | 1135.08 | Frederic Poineau; Efrain E. Rodriguez; Paul M. Forster; Alfred P. Sattelberger; Anthony K. Cheetham; Kenneth R. Czerwinski Preparation of the Binary Technetium Bromides: TcBr3 and TcBr4 Journal of the American Chemical Society, 2009, 131, 910-911 |
4124686 | CIF | Br6 K2 Re | F m -3 m | 10.445; 10.445; 10.445 90; 90; 90 | 1139.53 | Templeton, D.H.; Dauben, C.H. The crystal structure of potassium bromorhenate(IV) Journal of the American Chemical Society, 1951, 73, 4492-4493 |
4123934 | CIF | Br7 Cs5 Re6 S8 | R -3 c :H | 9.957; 9.957; 54.55 90; 90; 120 | 4683.63 | Long, J.R.; McCarty, L.S.; Holm, R.H. A solid-state route to molecular clusters: access to the solution chemistry of (Re6 Q8)(2+) (Q = S, Se) core-containing clusters via dimensional reduction Journal of the American Chemical Society, 1996, 118, 4603-4616 |
9012289 | CIF | C | F d -3 m :1 | 3.56669; 3.56669; 3.56669 90; 90; 90 | 45.373 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012290 | CIF | C | F d -3 m :1 | 3.56672; 3.56672; 3.56672 90; 90; 90 | 45.374 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012291 | CIF | C | F d -3 m :1 | 3.56678; 3.56678; 3.56678 90; 90; 90 | 45.376 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012292 | CIF | C | F d -3 m :1 | 3.56684; 3.56684; 3.56684 90; 90; 90 | 45.379 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012293 | CIF | C | F d -3 m :1 | 3.5669; 3.5669; 3.5669 90; 90; 90 | 45.381 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012294 | CIF | C | F d -3 m :1 | 3.5667; 3.5667; 3.5667 90; 90; 90 | 45.373 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012295 | CIF | C | F d -3 m :1 | 3.56674; 3.56674; 3.56674 90; 90; 90 | 45.375 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012296 | CIF | C | F d -3 m :1 | 3.56675; 3.56675; 3.56675 90; 90; 90 | 45.375 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012297 | CIF | C | F d -3 m :1 | 3.56683; 3.56683; 3.56683 90; 90; 90 | 45.378 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012298 | CIF | C | F d -3 m :1 | 3.56689; 3.56689; 3.56689 90; 90; 90 | 45.38 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012299 | CIF | C | F d -3 m :1 | 3.5668; 3.5668; 3.5668 90; 90; 90 | 45.377 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012300 | CIF | C | F d -3 m :1 | 3.5668; 3.5668; 3.5668 90; 90; 90 | 45.377 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012301 | CIF | C | F d -3 m :1 | 3.56684; 3.56684; 3.56684 90; 90; 90 | 45.379 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012302 | CIF | C | F d -3 m :1 | 3.56689; 3.56689; 3.56689 90; 90; 90 | 45.38 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012303 | CIF | C | F d -3 m :1 | 3.567; 3.567; 3.567 90; 90; 90 | 45.385 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
9012305 | CIF | C | F d -3 m :1 | 3.56678; 3.56678; 3.56678 90; 90; 90 | 45.376 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2 Journal of the American Chemical Society, 1951, 73, 5643-5646 |
4124637 | CIF | C Ag K O3 | I b c a | 20.23; 5.75; 5.95 90; 90; 90 | 692.119 | Donohue, J.; Helmholz, L. The crystal structure of potassium silver carbonate, K Ag C O3 Journal of the American Chemical Society, 1944, 66, 295-298 |
4110963 | CIF | C Al Cl4 Cu O | P -1 | 6.8752; 7.0092; 8.7362 81.798; 69.646; 85.723 | 390.53 | Michael D. Capracotta; Roger M. Sullivan; James D. Martin Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene Journal of the American Chemical Society, 2006, 128, 13463-13473 |
4104920 | CIF | C Al O Sc | R -3 m :H | 3.2599; 3.2599; 30.116 90; 90; 120 | 277.16 | Melanie Schroeder; Harald Hillebrecht Synthesis, Structure, Bonding, and Properties of the Oxide Carbide ScAlOC, a New Type of Compound Journal of the American Chemical Society, 2009, 131, 12172-12179 |
4124697 | CIF | C B4 | R -3 m :H | 5.6; 5.6; 12.12 90; 90; 120 | 329.162 | Clark, H.K.; Hoard, J.L. The crystal structure of boron carbide Journal of the American Chemical Society, 1943, 65, 2115-2119 |
4112513 | CIF | C Br3 Cl F31 O8 S Sb Te6 | P 1 21/n 1 | 18.617; 9.935; 19.129 90; 90.781; 90 | 3538 | Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5) Journal of the American Chemical Society, 2004, 126, 5533-5548 |
4114173 | CIF | C Br4 | C 1 2/c 1 | 21.086; 11.8827; 20.674 90; 111.38; 90 | 4823.6 | Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons Journal of the American Chemical Society, 2003, 125, 11597-11606 |
4107202 | CIF | C Ca Cs F O3 | P -6 2 m | 9.2999; 9.2999; 4.54 90; 90; 120 | 340.05 | Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007 |
4107198 | CIF | C Ca F K O3 | P -6 m 2 | 5.0968; 5.0968; 4.4553 90; 90; 120 | 100.23 | Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007 |
4107200 | CIF | C Ca F O3 Rb | P -6 2 m | 9.1979; 9.1979; 4.4463 90; 90; 120 | 325.77 | Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007 |
4124626 | CIF | C Ca N2 | R -3 m :R | 5.4; 5.4; 5.4 39.92; 39.92; 39.92 | 58.417 | Bredig, M.A. The crystal structure of calcium cyanamide Journal of the American Chemical Society, 1942, 64, 1730-1731 |
1010928 | CIF | C Ca O3 | R -3 c RS | 6.36; 6.36; 6.36 46.1; 46.1; 46.1 | 121.9 | Elliott, N A Redetermination of the Carbon - Oxygen Distance in Calcite and the Nitrogen - Oxygen Distance in Sodium Nitrate Journal of the American Chemical Society, 1937, 59, 1380-1382 |
4124474 | CIF | C Cl15 K Zr6 | P m m a | 18.489; 13.909; 9.69 90; 90; 90 | 2491.91 | Ziebarth, R.P.; Corbett, J.D. Cation distributions within a cluster framework. Synthesis and structure of the carbon- and boron-centered zirconium cluster compounds K Zr6 C15 C and Cs K Zr6 Cl15 B Journal of the American Chemical Society, 1987, 109, 4844-4850 |
4112515 | CIF | C Cl3 F30 O6 Sb Te6 | P -1 | 8.7059; 9.181; 9.862 104.111; 103.507; 98.851 | 724.5 | Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5) Journal of the American Chemical Society, 2004, 126, 5533-5548 |
4112514 | CIF | C Cl3 F48 O15 S3 Sb Te9 | P -1 | 10.082; 10.95; 24.572 83.482; 81.679; 70.019 | 2516.6 | Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5) Journal of the American Chemical Society, 2004, 126, 5533-5548 |
4110965 | CIF HKL | C Cl4 Cu Ga O | P -1 | 6.8769; 7.0155; 8.7594 80.998; 69.454; 85.731 | 390.75 | Michael D. Capracotta; Roger M. Sullivan; James D. Martin Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene Journal of the American Chemical Society, 2006, 128, 13463-13473 |
4118936 | CIF | C Co Na3 O7 P | P 1 21/m 1 | 8.89282; 6.61758; 5.1456 90; 89.4853; 90 | 302.801 | Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627 |
4121280 | CIF | C Cs F O3 Pb | P -6 m 2 | 5.3888; 5.3888; 5.1071 90; 90; 120 | 128.44 | Guohong Zou; Ling Huang; Ning Ye; Chensheng Lin; Wendan Cheng; Hui Huang CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p-π Interaction Journal of the American Chemical Society, 2013, 135, 18560-18566 |
4103811 | CIF | C Cs N7 | P 21 21 21 | 4.3082; 7.1345; 18.6869 90; 90; 90 | 574.38 | Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134 |
4118935 | CIF | C Cu Na3 O7 P | P 1 21/m 1 | 9.0079; 6.43969; 5.16525 90; 88.942; 90 | 299.58 | Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627 |
4125845 | CIF | C F K Mg O3 | P -6 2 m | 8.8437; 8.8437; 3.9254 90; 90; 120 | 265.878 | Tran, T. Thao; Young, Joshua; Rondinelli, James M.; Halasyamani, P. Shiv Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society, 2017, 139, 1285-1295 |
4107199 | CIF | C F K O3 Sr | P -6 m 2 | 5.2598; 5.2598; 4.6956 90; 90; 120 | 112.5 | Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007 |
4124275 | CIF | C F Mg O3 Rb | P -6 2 m | 9.016; 9.016; 3.9403 90; 90; 120 | 277.388 | Tran, T. Thao; He, Jiangang; Rondinelli, James M.; Halasyamani, P. Shiv RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material. Journal of the American Chemical Society, 2015, 150814134038006 |
4107201 | CIF | C F O3 Rb Sr | P -6 m 2 | 5.3; 5.3; 4.79 90; 90; 120 | 116.525 | Guohong Zou; Ning Ye; Ling Huang; Xinsong Lin Alkaline-Alkaline Earth Fluoride Carbonate Crystals ABCO3F (A = K, Rb, Cs; B = Ca, Sr, Ba) as Nonlinear Optical Materials Journal of the American Chemical Society, 2011, 133, 20001-20007 |
4118940 | CIF | C Fe Na3 O7 P | P 1 21/m 1 | 8.95419; 6.61129; 5.16023 90; 89.6001; 90 | 305.472 | Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627 |
4111404 | CIF | C H Cs N2 O2 | P 1 21/c 1 | 4.6921; 12.7144; 7.849 90; 99.2655; 90 | 462.14 | Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361 |
4135376 | CIF | C H F0 Na O4 Zn | P 1 c 1 | 3.3823; 5.453; 9.2505 90; 96.88; 90 | 169.385 | Peng, Guang; Lin, Chensheng; Ye, Ning NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2 Journal of the American Chemical Society, 2020 |
4134742 | CIF | C H I O | P -1 | 14.5262; 17.6511; 18.136 64.033; 69.797; 67.014 | 3762.4 | Gonzalez-Rodriguez, Edgar; Abdo, Miguel A.; Dos Passos Gomes, Gabriel; Ayad, Suliman; White, Frankie D.; Tsvetkov, Nikolay P.; Hanson, Kenneth; Alabugin, Igor V. Twofold π-Extension of Polyarenes via Double and Triple Radical Alkyne <i>peri</i>-Annulations: Radical Cascades Converging on the Same Aromatic Core. Journal of the American Chemical Society, 2020 |
4117536 | CIF | C H In10 N O9.09 S16 | P 1 21/n 1 | 15.2866; 30.0105; 20.3917 90; 110.852; 90 | 8742.2 | Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng Superbase Route to Supertetrahedral Chalcogenide Clusters Journal of the American Chemical Society, 2012, 134, 3619-3622 |
4111402 | CIF | C H K N2 O2 | I -4 2 d | 9.2329; 9.2329; 9.3868 90; 90; 90 | 800.19 | Harald Brand; Peter Mayer; Kurt Polborn; Axel Schulz; Jan J. Weigand Blue Alkali Dinitrosomethanides: Synthesis, Structure, and Bonding Journal of the American Chemical Society, 2005, 127, 1360-1361 |
4119736 | CIF | C H N O Zn | P 4/m m m | 15.3916; 15.3916; 9.588 90; 90; 90 | 2271.4 | Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks Journal of the American Chemical Society, 2013, 135, 7172-7180 |
4103597 | CIF | C H N5 O3 | C 1 c 1 | 7.9946; 9.1402; 6.2269 90; 99.584; 90 | 448.66 | Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction Journal of the American Chemical Society, 2010, 132, 17216-17226 |
4135607 | CIF | C H N5 O3 | P 1 21/c 1 | 6.1997; 10.2689; 8.2547 90; 109.477; 90 | 495.45 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
4132054 | CIF | C H0 I3 N Pb0.818 | P m -3 m | 6.342; 6.342; 6.342 90; 90; 90 | 255.1 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4132055 | CIF | C H0 I3 N Pb0.854 | P m -3 m | 6.3338; 6.3338; 6.3338 90; 90; 90 | 254.09 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4127267 | CIF | C H0 I3 N0.96 Pb0.524 Sn0.433 | P m -3 m | 6.3063; 6.3063; 6.3063 90; 90; 90 | 250.8 | Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability. Journal of the American Chemical Society, 2019, 141, 8627-8637 |
4132049 | CIF | C H0 I3 N2 Pb0.755 | P 4/m b m | 9.0452; 9.0452; 6.4036 90; 90; 90 | 523.91 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4132056 | CIF | C H0 I3 N2 Pb0.946 | P m -3 m | 6.3663; 6.3663; 6.3663 90; 90; 90 | 258.02 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4127266 | CIF | C H0 I3 N2.503 Pb0.388 Sn0.412 | P m -3 m | 6.3115; 6.3115; 6.3115 90; 90; 90 | 251.419 | Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability. Journal of the American Chemical Society, 2019, 141, 8627-8637 |
4108306 | CIF | C H10 B11 Cl11 O4 | P 1 21/n 1 | 10.1928; 17.8149; 12.4182 90; 98.8445; 90 | 2228.13 | Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed The Nature of the Hydrated Proton H(aq)+ in Organic Solvents Journal of the American Chemical Society, 2008, 130, 12128-12138 |
4126748 | CIF | C H12 Mn N2 O6 P3 | P 1 21/n 1 | 7.4021; 10.2234; 13.4765 90; 103.573; 90 | 991.35 | Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017 |
4115743 | CIF | C H16 Co4 N O13 S | P -3 | 8.298; 8.298; 10.519 90; 90; 120 | 627.27 | Apinpus Rujiwatra; Cameron J. Kepert; John B. Claridge; Matthew J. Rosseinsky; Hitoshi Kumagai; Mohamedally Kurmoo Layered Cobalt Hydroxysulfates with Both Rigid and Flexible Organic Pillars: Synthesis, Structure, Porosity, and Cooperative Magnetism Journal of the American Chemical Society, 2001, 123, 10584-10594 |
4110489 | CIF | C H2 B11 Cl11 | P -1 | 8.9136; 14.4549; 14.9526 73.416; 75.619; 84.322 | 1787.8 | Evgenii S. Stoyanov; Stephan P. Hoffmann; Mark Juhasz; Christopher A. Reed The Structure of the Strongest Brønsted Acid: The Carborane Acid H(CHB11Cl11) Journal of the American Chemical Society, 2006, 128, 3160-3161 |
4123987 | CIF | C H2 Cl4 Cs2 O2 Ru | A m a m | 8.096; 17.19; 7.437 90; 90; 90 | 1035.01 | Stanko, J.A.; Chaipayungpundhu, S. Crystal structure of cesium trans-tetrachloroaquocarbonylruthenate(II) Journal of the American Chemical Society, 1970, 92, 5580-5585 |
4103808 | CIF | C H2 Li N7 O | P 1 21/c 1 | 8.9207; 4.6663; 12.8648 90; 95.608; 90 | 532.96 | Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134 |
4135602 | CIF | C H2 N5 Na O4 | P 1 21/c 1 | 11.9484; 3.6295; 14.0899 90; 105.13; 90 | 589.85 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
4103809 | CIF | C H2 N7 Na O | P 1 21/c 1 | 11.203; 7.138; 14.409 90; 91.63; 90 | 1151.8 | Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134 |
4117094 | CIF | C H3 F O2 | P n m a | 6.551; 5.651; 7.347 90; 90; 90 | 272 | Dirk Wiechert; Dietrich Mootz; Thomas Dahlems The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2 Journal of the American Chemical Society, 1997, 119, 12665-12666 |
4122417 | CIF | C H3 N3 O3 | P 43 21 2 | 4.871; 4.871; 32.266 90; 90; 90 | 765.6 | Vo, Thao T.; Parrish, Damon A.; Shreeve, Jean'ne M. Tetranitroacetimidic Acid: A High Oxygen Oxidizer and Potential Replacement for Ammonium Perchlorate. Journal of the American Chemical Society, 2014, 136, 11934 |
4113796 | CIF | C H4 Cd N Se | P b c a | 7.09494; 6.79535; 16.7212 90; 90; 90 | 806.17 | Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties Journal of the American Chemical Society, 2003, 125, 7049-7055 |
4103602 | CIF | C H4 N6 O3 | P b c a | 9.3989; 7.9263; 15.2618 90; 90; 90 | 1136.98 | Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction Journal of the American Chemical Society, 2010, 132, 17216-17226 |
4135605 | CIF | C H4 N6 O3 | P -1 | 6.6353; 6.8575; 7.0924 67.848; 72.382; 80.022 | 284.24 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
4103598 | CIF | C H4 N6 O4 | P 1 21/c 1 | 8.489; 12.341; 5.626 90; 91.221; 90 | 589.3 | Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Davin G. Piercey; Jörg Stierstorfer Nitrotetrazolate-2N-oxides and the Strategy of N-Oxide Introduction Journal of the American Chemical Society, 2010, 132, 17216-17226 |
4135606 | CIF | C H4 N6 O4 | F d d 2 | 14.498; 44.396; 3.6494 90; 90; 90 | 2348.9 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
4103805 | CIF | C H4 N8 | P 1 21 1 | 3.9103; 6.914; 9.9127 90; 99.177; 90 | 264.57 | Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134 |
4116929 | CIF | C H44 B3 F4 Fe O3 P2 Rh4 | P 21 21 21 | 9.838; 17.799; 21.939 90; 90; 90 | 3841.7 | Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects Journal of the American Chemical Society, 1997, 119, 550-559 |
4123712 | CIF | C H5 Ge I3 N2 | R 3 m :H | 8.4669; 8.4669; 11.729 90; 90; 120 | 728.2 | Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819 |
4132048 | CIF | C H5 I3 N2 Pb0.743 | P 4 b m | 9.0452; 9.0452; 6.4036 90; 90; 90 | 523.91 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4132051 | CIF | C H5 I3 N2 Pb0.96 | A m m 2 | 6.3652; 9.002; 9.0065 90; 90; 90 | 516.1 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4113795 | CIF | C H5 N Te Zn | P b c a | 7.179; 6.946; 18.913 90; 90; 90 | 943.1 | Xiaoying Huang; Jing Li; Yong Zhang; Angelo Mascarenhas From 1D Chain to 3D Network: Tuning Hybrid II-VI Nanostructures and Their Optical Properties Journal of the American Chemical Society, 2003, 125, 7049-7055 |
4103804 | CIF | C H5 N9 | P 1 21/c 1 | 10.8114; 7.4641; 7.6676 90; 101.437; 90 | 606.47 | Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134 |
4125879 | CIF | C H5.15 Br0.45 I2.55 N1.85 Pb | P m -3 m | 6.2242; 6.2242; 6.2242 90; 90; 90 | 241.13 | Xie, Li-Qiang; Chen, Liang; Nan, Zi-Ang; Lin, Hai-Xin; Wang, Tan; Zhan, Dong-Ping; Yan, Jia-Wei; Mao, Bing-Wei; Tian, Zhong-Qun Understanding the Cubic Phase Stabilization and Crystallization Kinetics in Mixed Cations and Halides Perovskite Single Crystals. Journal of the American Chemical Society, 2017, 139, 3320-3323 |
4130071 | CIF | C H6 Br N6 | P 63/m | 7.7196; 7.7196; 6.2784 90; 90; 120 | 324.02 | Mitra, Shouvik; Kandambeth, Sharath; Biswal, Bishnu P.; Khayum M, Abdul; Choudhury, Chandan K.; Mehta, Mihir; Kaur, Gagandeep; Banerjee, Subhrashis; Prabhune, Asmita; Verma, Sandeep; Roy, Sudip; Kharul, Ulhas K.; Banerjee, Rahul Self-Exfoliated Guanidinium-Based Ionic Covalent Organic Nanosheets (iCONs). Journal of the American Chemical Society, 2016, 138, 2823-2828 |
5900025 | CIF | C H6 Cl N | P 4/m n c | 6.04; 6.04; 5.05 90; 90; 90 | 184.23 | J. Am. Chem. Soc., 1946, 68, 1970 |
4106167 | CIF | C H6 F Fe N O4 P | P n n a | 12.953; 10.6466; 6.4469 90; 90; 90 | 889.06 | Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates Journal of the American Chemical Society, 2011, 133, 8252-8263 |
4123711 | CIF | C H6 Ge I3 N | R 3 m :H | 8.5534; 8.5534; 11.162 90; 90; 120 | 707.2 | Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819 |
4123714 | CIF | C H6 Ge I3 N3 | P 1 21/c 1 | 9.2308; 7.3399; 17.974 90; 120.65; 90 | 1047.67 | Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819 |
4124388 | CIF | C H6 I3 N Pb | I 4/m c m | 8.8392; 8.8392; 12.6948 90; 90; 90 | 991.86 | Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements. Journal of the American Chemical Society, 2015, 150814091520002 |
4132053 | CIF | C H6 I3 N Pb0.815 | P 4 m m | 6.343; 6.343; 6.34 90; 90; 90 | 255.1 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4132057 | CIF | C H6 I3 N Pb0.847 | P 4 m m | 6.3361; 6.3361; 6.329 90; 90; 90 | 254.09 | Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G. Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites. Journal of the American Chemical Society, 2018, 140, 5728-5742 |
4121027 | CIF | C H6 Mn N10 | P 1 21/c 1 | 6.158; 7.113; 18.42 90; 102; 90 | 789.2 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4121028 | CIF | C H6 Mn N10 | P 1 21/c 1 | 6.199; 7.18; 18.379 90; 102.08; 90 | 799.9 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4121029 | CIF | C H6 Mn N10 | P 1 21/c 1 | 6.203; 7.199; 18.345 90; 102.108; 90 | 801 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4121030 | CIF | C H6 Mn N10 | P 1 21/c 1 | 6.2207; 7.253; 18.333 90; 102.178; 90 | 808.5 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4121031 | CIF | C H6 Mn N10 | P 1 21/c 1 | 9.0178; 7.3951; 12.575 90; 102.369; 90 | 819.1 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4121032 | CIF | C H6 Mn N10 | P 1 21/c 1 | 9.0165; 7.3957; 12.5731 90; 102.397; 90 | 818.87 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4121033 | CIF | C H6 Mn N10 | P 1 21/c 1 | 9.023; 7.405; 12.58 90; 102.338; 90 | 821.1 | Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds Journal of the American Chemical Society, 2013, 135, 16006-16009 |
4135601 | CIF | C H6 N4 O4 | P b c a | 9.5532; 6.3625; 16.3333 90; 90; 90 | 992.77 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
4124803 | CIF | C H6.99 Dy3 O9.99 | I 4 3 2 | 12.5189; 12.5189; 12.5189 90; 90; 90 | 1962 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124810 | CIF | C H6.99 Dy3 O9.99 | I 4 3 2 | 12.4967; 12.4967; 12.4967 90; 90; 90 | 1951.58 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124811 | CIF | C H6.99 Dy3 O9.99 | I 4 3 2 | 12.494; 12.494; 12.494 90; 90; 90 | 1950.31 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124812 | CIF | C H6.99 Dy3 O9.99 | I 4 3 2 | 12.4967; 12.4967; 12.4967 90; 90; 90 | 1951.58 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124801 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.6563; 12.6563; 12.6563 90; 90; 90 | 2027.31 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124804 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.6606; 12.6606; 12.6606 90; 90; 90 | 2029.38 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124805 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.669; 12.669; 12.669 90; 90; 90 | 2033.42 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124806 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.6589; 12.6589; 12.6589 90; 90; 90 | 2028.56 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124807 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.6541; 12.6541; 12.6541 90; 90; 90 | 2026.25 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124808 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.6596; 12.6596; 12.6596 90; 90; 90 | 2028.9 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124809 | CIF | C H6.99 Gd3 O9.99 | I 4 3 2 | 12.6597; 12.6597; 12.6597 90; 90; 90 | 2028.94 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124802 | CIF | C H6.99 O9.99 Tb3 | I 4 3 2 | 12.59; 12.59; 12.59 90; 90; 90 | 1995.62 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124813 | CIF | C H6.99 O9.99 Tb3 | I 4 3 2 | 12.5137; 12.5137; 12.5137 90; 90; 90 | 1959.55 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124814 | CIF | C H6.99 O9.99 Tb3 | I 4 3 2 | 12.4988; 12.4988; 12.4988 90; 90; 90 | 1952.56 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4124815 | CIF | C H6.99 O9.99 Tb3 | I 4 3 2 | 12.5234; 12.5234; 12.5234 90; 90; 90 | 1964.11 | Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society, 2015, 137, 15988-15991 |
4103909 | CIF | C H8 B N | P n m a | 11.135; 6.5575; 4.9194 90; 90; 90 | 359.2 | Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations Journal of the American Chemical Society, 2009, 131, 2231-2243 |
4108305 | CIF | C H8 B11 Cl11 O3 | P n a 21 | 13.1286; 10.2028; 15.7311 90; 90; 90 | 2107.16 | Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed The Nature of the Hydrated Proton H(aq)+ in Organic Solvents Journal of the American Chemical Society, 2008, 130, 12128-12138 |
4122893 | CIF | C H8 I3 N O Pb | P 1 21/m 1 | 10.3939; 4.6419; 11.1181 90; 101.161; 90 | 526.27 | Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G. Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10% Journal of the American Chemical Society, 2014, 141106073145004 |
4128767 | CIF | C I3 N2.857 Pb0.48 Sn0.521 | P m -3 m | 6.2983; 6.2983; 6.2983 90; 90; 90 | 249.845 | Ke, Weijun; Spanopoulos, Ioannis; Tu, Qing; Hadar, Ido; Li, Xiaotong; Shekhawat, Gajendra S.; Dravid, Vinayak P.; Kanatzidis, Mercouri G. Ethylenediammonium-Based "Hollow" Pb/Sn Perovskites with Ideal Band Gap Yield Solar Cells with Higher Efficiency and Stability. Journal of the American Chemical Society, 2019, 141, 8627-8637 |
1010090 | CIF | C K N O | I 4/m c m | 6.07; 6.07; 7.03 90; 90; 90 | 259 | Hendricks, S B; Pauling, L The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group Journal of the American Chemical Society, 1925, 47, 2904-2920 |
4135603 | CIF | C K N5 O3 | P 1 21/n 1 | 6.8957; 11.5328; 7.0382 90; 97.155; 90 | 555.37 | Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family. Journal of the American Chemical Society, 2021, 143, 1323-1327 |
4103810 | CIF | C K N7 | P 1 21/c 1 | 9.7759; 6.299; 8.4533 90; 96.72; 90 | 516.96 | Klapötke, Thomas M.; Stierstorfer, Jörg The CN~7~^-^ anion Journal of the American Chemical Society, 2009, 131, 1122-1134 |
4118939 | CIF | C Mg Na3 O7 P | P 1 21/m 1 | 8.82663; 6.61646; 5.15605 90; 89.6919; 90 | 301.114 | Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627 |
4118938 | CIF | C Mn Na3 O7 P | P 1 21/m 1 | 8.98593; 6.73577; 5.15998 90; 90.1225; 90 | 312.318 | Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627 |
4126518 | CIF | C Na O P | P -6 2 c | 8.5229; 8.5229; 7.178 90; 90; 120 | 451.55 | Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J. Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus. Journal of the American Chemical Society, 2017 |
4118937 | CIF | C Na3 Ni O7 P | P 1 21/m 1 | 8.82621; 6.586832; 5.127293 90; 89.2669; 90 | 298.06 | Hailong Chen; Geoffroy Hautier; Gerbrand Ceder Synthesis, Computed Stability, and Crystal Structure of a New Family of Inorganic Compounds: Carbonophosphates Journal of the American Chemical Society, 2012, 134, 19619-19627 |
1011031 | CIF | C Si | F -4 3 m | 4.358; 4.358; 4.358 90; 90; 90 | 82.8 | Burdick, C L; Owen, E A The Atomic Structure of Carborundum Determined by X-Rays Journal of the American Chemical Society, 1918, 40, 1749-1759 |
4103448 | CIF | C0 Be2 K2 Na0 O12 Si4 | P 1 21/m 1 | 8.4812; 13.7542; 8.5138 90; 109.015; 90 | 938.96 | Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686 |
4114283 | CIF | C0 F8 Fe2 N6 O8 P2 | P n a 21 | 22.81; 7.5762; 8.8993 90; 90; 90 | 1537.9 | Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes Journal of the American Chemical Society, 2003, 125, 12935-12944 |
4103447 | CIF | C0 H0 Be2 K2 O24 Si6 | P 42/n m c :2 | 13.8256; 13.8256; 9.7767 90; 90; 90 | 1868.79 | Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686 |
4127750 | CIF | C0 H0 K26.92 O159 P0 U24 | I 4/m | 19.6881; 19.6881; 19.0607 90; 90; 90 | 7388.3 | Xu, Mengyu; Traustason, Hrafn; Bo, Fabrice Dal; Hickam, Sarah; Chong, Saehwa; Zhang, Lei; Oliver, Allen G.; Burns, Peter C. Supramolecular Assembly of Geometrically Unstable Hybrid Organic-Inorganic Uranyl Peroxide Cage Clusters and Their Transformations. Journal of the American Chemical Society, 2019, 141, 12780-12788 |
4130132 | CIF | C0 H0 O228 Ti84 | F m -3 | 29.896; 29.896; 29.896 90; 90; 90 | 26720.2 | Gao, Mei-Yan; Wang, Fei; Gu, Zhi-Gang; Zhang, De-Xiang; Zhang, Lei; Zhang, Jian Fullerene-like Polyoxotitanium Cage with High Solution Stability. Journal of the American Chemical Society, 2016, 138, 2556-2559 |
4103450 | CIF | C0 H4 Be K O8 Si4 | P 1 | 7.1255; 7.13; 15.5209 90.315; 90.117; 90.006 | 788.52 | Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686 |
4110019 | CIF | C0.01 H0 O0.01 Zn0 | F m -3 m | 25.8074; 25.8074; 25.8074 90; 90; 90 | 17188 | Zhenqiang Wang; Seth M. Cohen Postsynthetic Covalent Modification of a Neutral Metal-Organic Framework Journal of the American Chemical Society, 2007, 129, 12368-12369 |
4118800 | CIF HKL | C0.11 Al0.1 Na0.1 O1.21 Si0.4 | I -4 3 m | 14.62823; 14.62823; 14.62823 90; 90; 90 | 3130.22 | Magdalena M. Lozinska; Enzo Mangano; John P. S. Mowat; Ashley M. Shepherd; Russell F. Howe; Stephen P. Thompson; Julia E. Parker; Stefano Brandani; Paul A. Wright Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases Journal of the American Chemical Society, 2012, 134, 17628-17642 |
4131764 | CIF | C0.21 H0.58 Br0.21 Mn0.05 N0.05 | P 63/m m c | 10.031; 10.031; 6.977 90; 90; 120 | 608 | Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film. Journal of the American Chemical Society, 2017, 139, 18071-18077 |
4131510 | CIF | C0.3 H0.7 I0.13 N0.09 Rb0.04 | R 3 :R | 7.272; 7.272; 7.272 84.81; 84.81; 84.81 | 380.1 | Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane). Journal of the American Chemical Society, 2017, 139, 10897-10902 |
4103449 | CIF | C0.4 Be1.6 K3.2 N0.4 O12 Si6.4 | P n m a | 12.7069; 13.2309; 13.9362 90; 90; 90 | 2343 | Jennifer A. Armstrong; Mark T. Weller Beryllosilicate Frameworks and Zeolites Journal of the American Chemical Society, 2010, 132, 15679-15686 |
4113785 | CIF | C0.5 H34 K10 Mn4 O16.5 Se17 Sn4 | P 41 21 2 | 15.515; 15.515; 25.44 90; 90; 90 | 6123.8 | Stefanie Dehnen; Michael K. Brandmayer Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn) Journal of the American Chemical Society, 2003, 125, 6618-6619 |
4113784 | CIF | C0.5 H34 K10 O16.5 Se17 Sn4 Zn4 | P 43 21 2 | 15.384; 15.384; 25.386 90; 90; 90 | 6008 | Stefanie Dehnen; Michael K. Brandmayer Reactivity of Chalcogenostannate Compounds: Syntheses, Crystal Structures, and Electronic Properties of Novel Compounds Containing Discrete Ternary Anions [MII4(μ4-Se)(SnSe4)4]10- (MII = Zn, Mn) Journal of the American Chemical Society, 2003, 125, 6618-6619 |
4126753 | CIF | C0.5 H6 Mn0.5 N1.5 O3 P1.5 | I 1 2/m 1 | 8.7596; 13.2087; 9.6956 90; 89.764; 90 | 1121.8 | Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017 |
4100885 | CIF | C0.69 H0.38 F0.07 N0.03 O0.12 Ru0.02 S0.02 | P 1 21/c 1 | 16.672; 31.875; 16.47 90; 105.04; 90 | 8453 | Fairchild, Robert M.; Holman, K. Travis Selective anion encapsulation by a metalated cryptophane with a pi-acidic interior. Journal of the American Chemical Society, 2005, 127, 16364-16365 |
4130457 | CIF | C0.99 H0.61 O0.2 Zr0.04 | F m -3 m | 38.554; 38.554; 38.554 90; 90; 90 | 57307 | Manna, Kuntal; Ji, Pengfei; Greene, Francis X.; Lin, Wenbin Metal-Organic Framework Nodes Support Single-Site Magnesium-Alkyl Catalysts for Hydroboration and Hydroamination Reactions. Journal of the American Chemical Society, 2016, 138, 7488-7491 |
4130788 | CIF | C1.17 H0.53 O0.24 Zr0.05 | P m -3 n | 41.512; 41.512; 41.512 90; 90; 90 | 71535 | Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242 |
4130790 | CIF | C1.25 Hf0.05 O0.26 | P m -3 n | 41.516; 41.516; 41.516 90; 90; 90 | 71556 | Ji, Pengfei; Manna, Kuntal; Lin, Zekai; Urban, Ania; Greene, Francis X.; Lan, Guangxu; Lin, Wenbin Single-Site Cobalt Catalysts at New Zr8(μ2-O)8(μ2-OH)4 Metal-Organic Framework Nodes for Highly Active Hydrogenation of Alkenes, Imines, Carbonyls, and Heterocycles. Journal of the American Chemical Society, 2016, 138, 12234-12242 |
4128612 | CIF | C1.34 H1.18 F0.08 N0.04 Np0.24 O1.05 | P 6/m | 20.719; 20.719; 18.477 90; 90; 120 | 6869 | Gilson, Sara E.; Li, Peng; Szymanowski, Jennifer E. S.; White, Jacob; Ray, Debmalya; Gagliardi, Laura; Farha, Omar K.; Burns, Peter C. In Situ Formation of Unprecedented Neptunium-Oxide Wheel Clusters Stabilized in a Metal-Organic Framework. Journal of the American Chemical Society, 2019, 141, 11842-11846 |
4107590 | CIF | C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36 | I m -3 m | 18.761; 18.761; 18.761 90; 90; 90 | 6603 | Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands Journal of the American Chemical Society, 2008, 130, 3768-3770 |
4126749 | CIF | C1.5 H4 Mn0.5 N0.5 O3 P1.5 | C 1 2/c 1 | 13.4506; 10.2196; 7.5274 90; 103.604; 90 | 1005.69 | Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017 |
4100074 | CIF | C1.65 H10 N0.82 O5.24 Se U0.59 | I 2 m m | 10.8864; 29.532; 47.439 90; 90; 90 | 15251.5 | Journal of the American Chemical Society, 2005 |
9014909 | CIF | C1.72 H18 O10 | F d -3 m :1 | 17.175; 17.175; 17.175 90; 90; 90 | 5066.29 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
4133596 | CIF | C1.74 H0.5 O2.83 Zr0.5 | F d -3 m :2 | 35.0104; 35.0104; 35.0104 90; 90; 90 | 42913 | Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216 |
4121073 | CIF | C1.81 H1.94 Ag0.13 F0.77 N0.39 O0.13 P0.13 | P 1 21/c 1 | 11.9135; 10.1334; 13.9442 90; 99.587; 90 | 1659.89 | Xiao-Ping Zhou; Yuan Wu; Dan Li Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation Journal of the American Chemical Society, 2013, 135, 16062-16065 |
4133595 | CIF | C1.9 H0.55 O2.77 Zr0.5 | F d -3 m :2 | 35.0221; 35.0221; 35.0221 90; 90; 90 | 42956 | Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216 |
4124116 | CIF | C10 F2 N4 O48 Si24 | C 1 m 1 | 10.44783; 14.9854; 8.83659 90; 105.935; 90 | 1330.33 | Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y. Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12 Journal of the American Chemical Society, 2004, 126, 10403-10409 |
4134281 | CIF | C10 H0 F0 I4 N2 Pb | I 4/m m m | 6.5653; 6.5653; 25.81 90; 90; 90 | 1112.5 | Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020 |
4116324 | CIF | C10 H0 F13 N4 O U2 | P 1 21/c 1 | 15.385; 12.688; 17.532 90; 107.48; 90 | 3264.3 | R. J. Francis; P. S. Halasyamani; J. S. Bee; D. O'Hare Variable Dimensionality in the Uranium Fluoride/2-Methyl-Piperazine System: Syntheses and Structures of UFO-5, -6, and -7; Zero-, One-, and Two-Dimensional Materials with Unprecedented Topologies Journal of the American Chemical Society, 1999, 121, 1609-1610 |
4118763 | CIF | C10 H10 Au N2 O2 S2 Se4 | P 1 21/a 1 | 14.7952; 4.1628; 13.4493 90; 95.717; 90 | 824.22 | Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes Journal of the American Chemical Society, 2012, 134, 17138-17148 |
4118762 | CIF | C10 H10 Au N2 O2 S6 | P 1 21/a 1 | 14.135; 4.137; 13.46 90; 97.14; 90 | 781 | Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes Journal of the American Chemical Society, 2012, 134, 17138-17148 |
4118764 | CIF | C10 H10 Au N2 S4 Se4 | P 1 21/a 1 | 14.5116; 4.0984; 14.3554 90; 92.613; 90 | 852.89 | Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes Journal of the American Chemical Society, 2012, 134, 17138-17148 |
4105374 | CIF | C10 H10 Au N2 S8 | P 1 21/a 1 | 14.06; 4.0593; 14.259 90; 93.524; 90 | 812.3 | Nadine Tenn; Nathalie Bellec; Olivier Jeannin; Lidia Piekara-Sady; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy A Single-Component Molecular Metal Based on a Thiazole Dithiolate Gold Complex Journal of the American Chemical Society, 2009, 131, 16961-16967 |
4115091 | CIF | C10 H10 B F3 O | P 1 21/n 1 | 7.4487; 17.747; 7.8625 90; 104.66; 90 | 1005.5 | Do Hyun Ryu; Thomas W. Lee; E. J. Corey Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines Journal of the American Chemical Society, 2002, 124, 9992-9993 |
4115090 | CIF | C10 H10 B F3 O2 | P 1 21/n 1 | 9.9804; 10.1025; 10.7724 90; 107.403; 90 | 1036.4 | Do Hyun Ryu; Thomas W. Lee; E. J. Corey Broad-Spectrum Enantioselective Diels-Alder Catalysis by Chiral, Cationic Oxazaborolidines Journal of the American Chemical Society, 2002, 124, 9992-9993 |
4135067 | CIF | C10 H10 B2 | P -1 | 7.0969; 8.5411; 14.8555 91.182; 103.436; 97.147 | 867.87 | Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction. Journal of the American Chemical Society, 2020 |
4122923 | CIF | C10 H10 Br F O | P 21 21 21 | 4.9777; 9.2119; 21.6756 90; 90; 90 | 993.91 | Zi, Weiwei; Wang, Yi-Ming; Toste, F. Dean An in situ directing group strategy for chiral anion phase-transfer fluorination of allylic alcohols. Journal of the American Chemical Society, 2014, 136, 12864-12867 |
4129189 | CIF | C10 H10 Br N O | P 1 21 1 | 4.807; 7.0174; 14.3984 90; 96.901; 90 | 482.18 | Zhou, Zijun; Chen, Shuming; Hong, Yubiao; Winterling, Erik; Tan, Yuqi; Hemming, Marcel; Harms, Klaus; Houk, K. N.; Meggers, Eric Non-C2-Symmetric Chiral-at-Ruthenium Catalyst for Highly Efficient Enantioselective Intramolecular C(sp3)‒H Amidation Journal of the American Chemical Society, 2019 |
4110763 | CIF | C10 H10 Br2 Cl4 Cu N2 | P -1 | 7.407; 7.703; 15.506 82.644; 79.837; 68.888 | 810.4 | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585 |
4110764 | CIF | C10 H10 Br2 Cl4 Cu N2 | P -1 | 7.5702; 7.8282; 15.562 82.064; 78.89; 67.093 | 831.54 | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585 |
4110766 | CIF | C10 H10 Br2 Cl4 Cu N2 | P -1 | 7.56821; 7.82283; 15.5551 82.1012; 78.9087; 67.0878 | 830.44 | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585 |
4126312 | CIF | C10 H10 Br2 Cl4 N2 Np O2 | C 1 2/m 1 | 15.9996; 8.6659; 6.8488 90; 102.023; 90 | 928.76 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126319 | CIF | C10 H10 Br2 Cl4 N2 Np O2 | C 1 2/m 1 | 15.715; 8.6156; 6.874 90; 102.349; 90 | 909.2 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126316 | CIF | C10 H10 Br2 Cl4 N2 O2 Pu | C 1 2/m 1 | 16.1488; 8.734; 6.7757 90; 101.912; 90 | 935.09 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4108029 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.2842; 7.5139; 14.0608 90; 100.051; 90 | 1798.08 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108030 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.249; 7.4744; 13.9631 90; 100.123; 90 | 1772.2 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108031 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.2461; 7.4589; 13.9154 90; 100.129; 90 | 1762.14 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108032 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.2353; 7.4456; 13.8804 90; 100.158; 90 | 1753.3 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108033 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.2433; 7.4312; 13.8431 90; 100.143; 90 | 1746.1 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108034 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.2186; 7.4177; 13.8073 90; 100.193; 90 | 1735.67 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108035 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.211; 7.4028; 13.7689 90; 100.218; 90 | 1726.47 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108036 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.1969; 7.3925; 13.7372 90; 100.243; 90 | 1718.55 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108037 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.1915; 7.3882; 13.7152 90; 100.254; 90 | 1714.2 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108047 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.214; 7.4879; 14.0091 90; 99.98; 90 | 1778.4 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108048 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.211; 7.3392; 13.7246 90; 100.381; 90 | 1705.2 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108049 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.144; 7.2256; 13.5526 90; 100.611; 90 | 1650.1 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108050 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.137; 7.188; 13.504 90; 100.821; 90 | 1633.9 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108051 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.082; 7.066; 13.353 90; 101.073; 90 | 1581.7 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108052 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.058; 7.0335; 13.2733 90; 101.103; 90 | 1562.7 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108053 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 17.022; 6.9783; 13.1936 90; 101.2; 90 | 1537.3 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108054 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 16.968; 6.8746; 13.0779 90; 101.392; 90 | 1495.5 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108055 | CIF | C10 H10 Br4 Cl2 Co N2 | C 1 2/c 1 | 16.92; 6.768; 13.009 90; 101.541; 90 | 1459.6 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108141 | CIF | C10 H10 Cl14 Mo6 N2 O2 | P 1 21/c 1 | 8.9148; 9.6561; 17.6885 90; 94.7019; 90 | 1517.54 | Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols Journal of the American Chemical Society, 2008, 130, 10038-10039 |
4108140 | CIF | C10 H10 Cl14 Mo6 N2 O8 | P n a 21 | 17.1972; 9.7664; 20.8704 90; 90; 90 | 3505.28 | Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols Journal of the American Chemical Society, 2008, 130, 10038-10039 |
4120574 | CIF | C10 H10 Cl2 N2 Pt | P -1 | 5.4655; 6.9612; 7.6303 79.842; 84.579; 89.123 | 284.48 | Johnstone, Timothy C.; Lippard, Stephen J. The chiral potential of phenanthriplatin and its influence on Guanine binding. Journal of the American Chemical Society, 2014, 136, 2126-2134 |
4134072 | CIF | C10 H10 Cl4 Fe Ga | P n m a | 13.902; 8.7619; 11.972 90; 90; 90 | 1458.3 | Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate. Journal of the American Chemical Society, 2020 |
4134071 | CIF | C10 H10 Cl4 Fe2 | P n m a | 13.7297; 8.6471; 11.9568 90; 90; 90 | 1419.5 | Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate. Journal of the American Chemical Society, 2020 |
4134073 | CIF | C10 H10 Cl4 Fe2 | P n m a | 13.8181; 8.7371; 11.9538 90; 90; 90 | 1443.2 | Zhang, Han-Yue; Hu, Chun-Li; Hu, Zhao-Bo; Mao, Jiang-Gao; Song, You; Xiong, Ren-Gen Narrow Band Gap Observed in a Molecular Ferroelastic: Ferrocenium Tetrachloroferrate. Journal of the American Chemical Society, 2020 |
4126313 | CIF | C10 H10 Cl4 I2 N2 Np O2 | C 1 2/m 1 | 16.3553; 8.668; 6.9455 90; 102.394; 90 | 961.7 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126320 | CIF | C10 H10 Cl4 I2 N2 Np O2 | C 1 2/m 1 | 16.084; 8.61; 6.9394 90; 103.004; 90 | 936.3 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126317 | CIF | C10 H10 Cl4 I2 N2 O2 Pu | C 1 2/m 1 | 16.4644; 8.7019; 6.8794 90; 102.267; 90 | 963.12 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4108020 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.506; 7.3215; 13.9763 90; 100.516; 90 | 1660.65 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108021 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4936; 7.3003; 13.888 90; 100.556; 90 | 1643.93 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108022 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.493; 7.2802; 13.8389 90; 100.55; 90 | 1633.58 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108023 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4898; 7.2729; 13.7991 90; 100.551; 90 | 1626.93 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108024 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4924; 7.2511; 13.7532 90; 100.545; 90 | 1616.94 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108025 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4836; 7.2469; 13.7167 90; 100.551; 90 | 1610.82 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108026 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4821; 7.2348; 13.6784 90; 100.547; 90 | 1603.52 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108027 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4775; 7.226; 13.6408 90; 100.546; 90 | 1596.73 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108028 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4754; 7.2193; 13.6161 90; 100.541; 90 | 1592.18 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108038 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.52; 7.3101; 13.95 90; 100.485; 90 | 1656.5 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108039 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.5059; 7.2124; 13.752 90; 100.695; 90 | 1608.7 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108040 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4993; 7.1511; 13.6366 90; 100.808; 90 | 1580.4 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108041 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4769; 7.0705; 13.4942 90; 100.971; 90 | 1543.3 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108042 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.4411; 6.9803; 13.3444 90; 101.164; 90 | 1502.47 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108043 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.3973; 6.8907; 13.2377 90; 101.387; 90 | 1466.27 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108044 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.3564; 6.76; 13.15 90; 101.79; 90 | 1423.3 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108045 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.354; 6.577; 13.014 90; 102.23; 90 | 1368 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4108046 | CIF | C10 H10 Cl6 Co N2 | C 1 2/c 1 | 16.317; 6.5279; 12.914 90; 102.463; 90 | 1343.1 | Guillermo Mínguez Espallargas; Lee Brammer; David R. Allan; Colin R. Pulham; Neil Robertson; John E. Warren Noncovalent Interactions under Extreme Conditions: High-Pressure and Low-Temperature Diffraction Studies of the Isostructural Metal-Organic Networks (4-Chloropyridinium)2[CoX4] (X = Cl, Br) Journal of the American Chemical Society, 2008, 130, 9058-9071 |
4110759 | CIF | C10 H10 Cl6 Cu N2 | P -1 | 7.1853; 7.6605; 15.4482 82.336; 80.555; 70.735 | 788.95 | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585 |
4110760 | CIF | C10 H10 Cl6 Cu N2 | P -1 | 7.3119; 7.7799; 15.497 81.684; 79.779; 69.368 | 808.69 | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585 |
4110762 | CIF | C10 H10 Cl6 Cu N2 | P -1 | 7.30931; 7.77643; 15.49792 81.6898; 79.7745; 69.3487 | 807.99 | Guillermo Mínguez Espallargas; Lee Brammer; Jacco van de Streek; Kenneth Shankland; Alastair J. Florence; Harry Adams Reversible Extrusion and Uptake of HCl Molecules by Crystalline Solids Involving Coordination Bond Cleavage and Formation Journal of the American Chemical Society, 2006, 128, 9584-9585 |
4126311 | CIF | C10 H10 Cl6 N2 Np O2 | C 1 2/m 1 | 15.7687; 6.7068; 9.0971 90; 105.585; 90 | 926.71 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126318 | CIF | C10 H10 Cl6 N2 Np O2 | C 1 2/m 1 | 15.705; 6.5663; 9.05 90; 105.538; 90 | 899.2 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126315 | CIF | C10 H10 Cl6 N2 O2 Pu | C 1 2/m 1 | 15.8025; 6.7045; 9.1106 90; 105.384; 90 | 930.66 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4133885 | CIF | C10 H10 Co F6 P | P 1 21/c 1 | 13.2837; 9.1759; 9.252 90; 96.293; 90 | 1120.9 | Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes. Journal of the American Chemical Society, 2019 |
4121379 | CIF | C10 H10 Cu F4 N2 O2 V | P 1 21/c 1 | 7.107; 17.24; 12.1314 90; 125.491; 90 | 1210.2 | Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra Journal of the American Chemical Society, 2013, 135, 19268-19274 |
4100941 | CIF | C10 H10 Cu3 Mo2 N2 O10 | P -1 | 5.5199; 5.6912; 13.456 83.015; 85.442; 79.488 | 411.82 | Shores, M. P.; Bartlett, B. M.; Nocera, D. G. Spin-Frustrated Organic-Inorganic Hybrids of Lindgrenite Journal of the American Chemical Society, 2005, 127, 17986-17987 |
4128042 | CIF | C10 H10 F N O2 | C 1 2/c 1 | 20.7185; 9.3045; 12.4912 90; 133.858; 90 | 1736.31 | Yu, Jin-Sheng; Espinosa, Miguel; Noda, Hidetoshi; Shibasaki, Masakatsu Traceless Electrophilic Amination for the Synthesis of Unprotected Cyclic β-Amino Acids. Journal of the American Chemical Society, 2019, 141, 10530-10537 |
4103843 | CIF | C10 H10 F2 N2 Pd | P 1 21/c 1 | 16.308; 7.9739; 17.077 90; 109.33; 90 | 2095.5 | Vladimir V. Grushin; William J. Marshall trans-Difluoro Complexes of Palladium(II) Journal of the American Chemical Society, 2009, 131, 918-919 |
4118219 | CIF | C10 H10 F3 N O | P 1 21/c 1 | 8.8952; 7.6628; 16.6493 90; 117.473; 90 | 1006.87 | Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation Journal of the American Chemical Society, 2012, 134, 11196-11205 |
4127787 | CIF | C10 H10 F3 N O | P 21 21 21 | 4.9345; 8.6504; 23.3738 90; 90; 90 | 997.72 | Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L. Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure. Journal of the American Chemical Society, 2019, 141, 3430-3434 |
4130091 | CIF | C10 H10 F3 N O3 | P 1 21/n 1 | 5.0912; 8.9533; 23.0489 90; 94.2965; 90 | 1047.69 | Nagamani, Chikkannagari; Liu, Huiying; Moore, Jeffrey S. Mechanogeneration of Acid from Oxime Sulfonates. Journal of the American Chemical Society, 2016, 138, 2540-2543 |
4120259 | CIF | C10 H10 F4 N3 Nb O | C 1 c 1 | 20.2084; 3.98043; 15.7991 90; 109.387; 90 | 1198.79 | Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier Nonlinear Active Materials: An Illustration of Controllable Phase Matchability Journal of the American Chemical Society, 2013, 135, 11942-11950 |
4128109 | CIF | C10 H10 I N O | P 21 21 21 | 4.6221; 7.3099; 29.54 90; 90; 90 | 998.1 | Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions. Journal of the American Chemical Society, 2019, 141, 7194-7201 |
4103846 | CIF | C10 H10 I2 N2 Pd | C 1 2/m 1 | 8.71; 14.865; 5.3681 90; 100.127; 90 | 684.2 | Vladimir V. Grushin; William J. Marshall trans-Difluoro Complexes of Palladium(II) Journal of the American Chemical Society, 2009, 131, 918-919 |
4103847 | CIF | C10 H10 I2 N2 Pd | C 1 2/c 1 | 17.039; 4.993; 17.697 90; 115.202; 90 | 1362.3 | Vladimir V. Grushin; William J. Marshall trans-Difluoro Complexes of Palladium(II) Journal of the American Chemical Society, 2009, 131, 918-919 |
4119219 | CIF | C10 H10 La O16 P4 | P 1 21/c 1 | 6.0301; 18.347; 19.0401 90; 95.541; 90 | 2096.6 | Jared M. Taylor; Karl W. Dawson; George K. H. Shimizu A Water-Stable Metal-Organic Framework with Highly Acidic Pores for Proton-Conducting Applications Journal of the American Chemical Society, 2013, 135, 1193-1196 |
4102501 | CIF | C10 H10 N2 | P 1 21 1 | 5.5395; 8.7722; 8.7887 90; 90.678; 90 | 427.04 | Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations Journal of the American Chemical Society, 2010, 132, 7730-7744 |
4121576 | CIF | C10 H10 N2 O3 | C 1 2/c 1 | 20.687; 6.4683; 15.9083 90; 116.05; 90 | 1912.4 | Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S. A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes. Journal of the American Chemical Society, 2014, 136, 5279-5282 |
4102219 | CIF | C10 H10 N2 O4 | P b c n | 11.65; 5.8419; 15.9102 90; 90; 90 | 1082.82 | Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore Masked Cyanoacrylates Unveiled by Mechanical Force Journal of the American Chemical Society, 2010, 132, 4558-4559 |
4102220 | CIF | C10 H10 N2 O4 | P -1 | 5.9857; 9.3466; 9.4874 93.652; 100.48; 95.083 | 518.15 | Matthew J. Kryger; Mitchell T. Ong; Susan A. Odom; Nancy R. Sottos; Scott R. White; Todd J. Martinez; Jeffrey S. Moore Masked Cyanoacrylates Unveiled by Mechanical Force Journal of the American Chemical Society, 2010, 132, 4558-4559 |
4107146 | CIF | C10 H10 N2 O4 | P -1 | 5.9857; 9.3466; 9.4874 93.652; 100.48; 95.083 | 518.15 | Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores Journal of the American Chemical Society, 2011, 133, 18992-18998 |
4107147 | CIF | C10 H10 N2 O4 | P b c n | 11.65; 5.8419; 15.9102 90; 90; 90 | 1082.82 | Matthew J. Kryger; Alexander M. Munaretto; Jeffrey S. Moore Structure-Mechanochemical Activity Relationships for Cyclobutane Mechanophores Journal of the American Chemical Society, 2011, 133, 18992-18998 |
4129285 | CIF | C10 H10 N2 O4 S | P 1 21/c 1 | 8.7977; 7.8194; 15.8743 90; 97.043; 90 | 1083.8 | Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav Mechanochemical ruthenium-catalyzed olefin metathesis. Journal of the American Chemical Society, 2015, 137, 2476-2479 |
4135189 | CIF | C10 H10 N3 O3 Zn | R 3 c :H | 26.583; 26.583; 10.1311 90; 90; 120 | 6200.1 | Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. Journal of the American Chemical Society, 2020 |
4122380 | CIF | C10 H10 N4 | P 1 21/c 1 | 11.2431; 10.1867; 8.9687 90; 104.512; 90 | 994.41 | Weston, Claire E.; Richardson, Robert D.; Haycock, Peter R.; White, Andrew J. P.; Fuchter, Matthew J. Arylazopyrazoles: Azoheteroarene Photoswitches Offering Quantitative Isomerization and Long Thermal Half-Lives. Journal of the American Chemical Society, 2014, 136, 11878 |
4125843 | CIF | C10 H10 N4 | P b c a | 10.1175; 11.0673; 16.8859 90; 90; 90 | 1890.77 | Calbo, Joaquín; Weston, Claire E.; White, Andrew J. P.; Rzepa, Henry S.; Contreras-García, Julia; Fuchter, Matthew J. Tuning Azoheteroarene Photoswitch Performance through Heteroaryl Design. Journal of the American Chemical Society, 2017, 139, 1261-1274 |
4106790 | CIF | C10 H10 O2 | P 21 21 21 | 7.2085; 7.8988; 13.8528 90; 90; 90 | 788.758 | Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions Journal of the American Chemical Society, 2011, 133, 14578-14581 |
4107369 | CIF | C10 H10 O2 | P 1 21/n 1 | 10.8535; 5.5167; 13.9943 90; 100.41; 90 | 824.12 | Mujeeb Khan; Gunther Brunklaus; Volker Enkelmann; Hans-Wolfgang Spiess Transient States in [2 + 2] Photodimerization of Cinnamic Acid: Correlation of Solid-State NMR and X-ray Analysis Journal of the American Chemical Society, 2008, 130, 1741-1748 |
4120169 | CIF HKL | C10 H10 O2 | P 1 21 1 | 7.3733; 6.0822; 9.3401 90; 100.71; 90 | 411.57 | Javier Izquierdo; Ane Orue; Karl A. Scheidt A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations Journal of the American Chemical Society, 2013, 135, 10634-10637 |
4128275 | CIF | C10 H10 O2 | P b c a | 8.5386; 10.4949; 18.8536 90; 90; 90 | 1689.5 | Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence. Journal of the American Chemical Society, 2019, 141, 9885-9894 |
4125682 | CIF | C10 H10 O2 S | P 1 21/c 1 | 5.93; 7.2867; 20.9055 90; 90.331; 90 | 903.31 | Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S. Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity. Journal of the American Chemical Society, 2017, 139, 3209-3226 |
4118501 | CIF | C10 H10 O2 S4 | P 1 21/c 1 | 13.462; 8.271; 11.139 90; 110.853; 90 | 1159 | Takashi Shirahata; Keita Shiratori; Shouhei Kumeta; Tadashi Kawamoto; Tadahiko Ishikawa; Shin-ya Koshihara; Yoshiaki Nakano; Hideki Yamochi; Misaki, Yohji; Takehiko Mori Structural Transitions from Triangular to Square Molecular Arrangements in the Quasi-One-Dimensional Molecular Conductors (DMEDO-TTF)2XF6 (X = P, As, and Sb) Journal of the American Chemical Society, 2012, 134, 13330-13340 |
4123090 | CIF | C10 H10 O2 Si | P -1 | 6.799; 17.085; 17.516 68.123; 83.058; 77.859 | 1843.9 | Tani, Yosuke; Fujihara, Tetsuaki; Terao, Jun; Tsuji, Yasushi Copper-Catalyzed Regiodivergent Silacarboxylation of Allenes with Carbon Dioxide and a Silylborane. Journal of the American Chemical Society, 2014, 141212124847001 |
4120858 | CIF | C10 H10 O5 | P n a 21 | 7.1097; 11.5996; 12.0357 90; 90; 90 | 992.6 | Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration Journal of the American Chemical Society, 2013, 135, 14438-14447 |
4113232 | CIF | C10 H10 P2 | P 1 21/n 1 | 8.484; 12.8058; 9.7203 90; 115.088; 90 | 956.43 | Stephan A. Reiter; Stefan D. Nogai; Konstantin Karaghiosoff; Hubert Schmidbaur Insignificance of P-H...P Hydrogen Bonding: Structural Chemistry of Neutral and Protonated 1,8-Di(phosphinyl)naphthalene Journal of the American Chemical Society, 2004, 126, 15833-15843 |
4133980 | CIF | C10 H10 Ru | P n m a | 7.0229; 8.8503; 12.7614 90; 90; 90 | 793.18 | Bear, Joseph C.; Cockcroft, Jeremy K.; Williams, Jeffrey H. Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene. Journal of the American Chemical Society, 2020, 142, 1731-1734 |
4101806 | CIF | C10 H10 S2 Si | C m c 21 | 13.186; 12.994; 6.7057 90; 90; 90 | 1148.9 | Takeshi Ohmae; Tohru Nishinaga; Mo Wu; Masahiko Iyoda Cyclic Tetrathiophenes Planarized by Silicon and Sulfur Bridges Bearing Antiaromatic Cyclooctatetraene Core: Syntheses, Structures, and Properties Journal of the American Chemical Society, 2010, 132, 1066-1074 |
4121125 | CIF | C10 H10 S6 | P 21 21 21 | 9.1424; 11.0497; 13.7839 90; 90; 90 | 1392.46 | Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF) Journal of the American Chemical Society, 2013, 135, 17176-17186 |
4121126 | CIF | C10 H10 S6 | P 21 21 21 | 9.1575; 11.0492; 13.757 90; 90; 90 | 1392 | Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF) Journal of the American Chemical Society, 2013, 135, 17176-17186 |
4125298 | CIF | C10 H11 B Cl N | P -1 | 7.635; 9.2691; 14.887 89.64; 79.774; 70.461 | 975.5 | Xu, Senmiao; Zhang, Yuanzhe; Li, Bo; Liu, Shih-Yuan Site-Selective and Stereoselective trans-Hydroboration of 1,3-Enynes Catalyzed by 1,4-Azaborine-Based Phosphine-Pd Complex. Journal of the American Chemical Society, 2016, 138, 14566-14569 |
4130946 | CIF | C10 H11 B F3 I O4 | P 1 21/n 1 | 9.655; 8.3949; 16.7646 90; 94.564; 90 | 1354.51 | Izquierdo, Susana; Essafi, Stéphanie; Del Rosal, Iker; Vidossich, Pietro; Pleixats, Roser; Vallribera, Adelina; Ujaque, Gregori; Lledós, Agustí; Shafir, Alexandr Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications. Journal of the American Chemical Society, 2016, 138, 12747-12750 |
4133919 | CIF | C10 H11 B F3 K O5 | P c a 21 | 8.0689; 19.1049; 8.649 90; 90; 90 | 1333.29 | Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V. Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds. Journal of the American Chemical Society, 2020, 142, 1603-1613 |
4104413 | CIF | C10 H11 B N2 O4 | P 32 | 11.5735; 11.5735; 6.9885 90; 90; 120 | 810.67 | David M. Knapp; Eric P. Gillis; Martin D. Burke A General Solution for Unstable Boronic Acids: Slow-Release Cross-Coupling from Air-Stable MIDA Boronates Journal of the American Chemical Society, 2009, 131, 6961-6963 |
4129292 | CIF | C10 H11 Br O2 S | P 1 21 1 | 8.385; 5.7634; 11.4508 90; 104.014; 90 | 536.9 | Lim, Kelvin Meng-Hui; Hayashi, Tamio Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones. Journal of the American Chemical Society, 2015, 137, 3201-3204 |
4116618 | CIF | C10 H11 Cl N O2 | P 1 21/c 1 | 11.033; 4.936; 18.011 90; 95.055; 90 | 977 | Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates Journal of the American Chemical Society, 1999, 121, 11122-11129 |
4131985 | CIF | C10 H11 Cl N O3 S | P 1 21/n 1 | 5.9637; 15.7025; 11.9733 90; 95.124; 90 | 1116.76 | Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145 |
4101500 | CIF | C10 H11 Cl N2 O4 | P 21 21 21 | 5.9181; 7.2067; 28.153 90; 90; 90 | 1200.7 | Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes. Journal of the American Chemical Society, 2006, 128, 7418-7419 |
4101499 | CIF | C10 H11 F N2 O4 | P 1 21 1 | 7.5315; 19.034; 8.174 90; 104.27; 90 | 1135.6 | Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes. Journal of the American Chemical Society, 2006, 128, 7418-7419 |
4117594 | CIF | C10 H11 N O2 | P 21 21 21 | 6.139; 11.7027; 12.4248 90; 90; 90 | 892.63 | Gregory L. Adams; Patrick J. Carroll; Amos B. Smith Total Synthesis of (+)-Scholarisine A Journal of the American Chemical Society, 2012, 134, 4037-4040 |
4126125 | CIF | C10 H11 N O3 | P 1 21/c 1 | 20.0813; 7.5198; 12.1237 90; 91.565; 90 | 1830.09 | Schäfer, Mathias; Peckelsen, Katrin; Paul, Mathias; Martens, Jonathan; Oomens, Jos; Berden, Giel; Berkessel, Albrecht; Meijer, Anthony J. H. M. Hydrogen Tunneling above Room Temperature Evidenced by Infrared Ion Spectroscopy. Journal of the American Chemical Society, 2017, 139, 5779-5786 |
4125086 | CIF | C10 H11 N O3 S | P 1 21 1 | 9.1983; 16.7173; 13.7123 90; 90.549; 90 | 2108.5 | Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines. Journal of the American Chemical Society, 2016, 138, 6571-6576 |
4132098 | CIF | C10 H11 N O4 | P 1 21/c 1 | 10.9576; 20.9044; 8.4845 90; 100.185; 90 | 1912.9 | Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization. Journal of the American Chemical Society, 2018, 140, 5009-5013 |
4108978 | CIF | C10 H11 N O5 | P 21 21 21 | 4.7314; 9.4083; 23.648 90; 90; 90 | 1052.7 | S. S. V. Ramasastry; Haile Zhang; Fujie Tanaka; Carlos F. Barbas Direct Catalytic Asymmetric Synthesis of anti-1,2-Amino Alcohols and syn-1,2-Diols through Organocatalytic anti-Mannich and syn-Aldol Reactions Journal of the American Chemical Society, 2007, 129, 288-289 |
4131980 | CIF | C10 H11 N2 O5 S | I 1 2/a 1 | 17.884; 6.712; 19.8456 90; 112.723; 90 | 2197.3 | Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145 |
4100620 | CIF | C10 H11 N3 O3 S | P 1 21/c 1 | 11.64; 6.8189; 15.419 90; 107.106; 90 | 1169.7 | Price, C.P.; Grzesiak, A.L.; Matzger, A.J. Journal of the American Chemical Society, 2005 |
4100621 | CIF | C10 H11 N3 O3 S | P 1 21/n 1 | 5.4895; 16.761; 12.422 90; 97.08; 90 | 1134.2 | Price, C.P.; Grzesiak, A.L.; Matzger, A.J. Journal of the American Chemical Society, 2005 |
4129772 | CIF | C10 H11 N3 O6 S | P 21 21 21 | 6.383; 8.0212; 22.0071 90; 90; 90 | 1126.75 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605 |
4119250 | CIF | C10 H110 K9 N5 O133 Se2 W29 | P -1 | 16.7881; 16.8248; 22.9363 91.583; 109.045; 95.431 | 6084.6 | Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates Journal of the American Chemical Society, 2013, 135, 1796-1805 |
4107306 | CIF | C10 H12 Ag2 N4 | I -4 3 d | 27.2326; 27.2326; 27.2326 90; 90; 90 | 20196.1 | Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917 |
4125543 | CIF | C10 H12 B2 O4 | P 1 21/c 1 | 12.799; 7.758; 10.736 90; 108.119; 90 | 1013.2 | Shoji, Yoshiaki; Ikabata, Yasuhiro; Wang, Qi; Nemoto, Daisuke; Sakamoto, Atsushi; Tanaka, Naoki; Seino, Junji; Nakai, Hiromi; Fukushima, Takanori Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules. Journal of the American Chemical Society, 2017, 139, 2728-2733 |
4115278 | CIF | C10 H12 Br Cl F I | P 1 21/c 1 | 12.4234; 12.3944; 7.8787 90; 90.012; 90 | 1213.17 | Peter R. Schreiner; Andrey A. Fokin; Oliver Lauenstein; Yoshio Okamoto; Tsuneki Wakita; Christopher Rinderspacher; Gregory H. Robinson; Jason K. Vohs; Charles F. Campana Pseudotetrahedral Polyhaloadamantanes as Chirality Probes: Synthesis, Separation, and Absolute Configuration Journal of the American Chemical Society, 2002, 124, 13348-13349 |
4114975 | CIF | C10 H12 Br2 O4 | P 1 21/a 1 | 8.3045; 5.5002; 13.84 90; 95.622; 90 | 629.12 | Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions Journal of the American Chemical Society, 2002, 124, 8891-8902 |
4116846 | CIF | C10 H12 Cl2 N2 Si | C 1 2/c 1 | 15.4608; 6.166; 14.3313 90; 118.576; 90 | 1199.79 | Karl Hensen; Thorsten Stumpf; Michael Bolte; Christian Näther; Holger Fleischer Experimental Investigations and ab Initio Studies on Hexacoordinated Complexes of Dichlorosilane Journal of the American Chemical Society, 1998, 120, 10402-10408 |
4114974 | CIF | C10 H12 Cl2 O4 | P 1 21/a 1 | 8.0986; 5.4164; 13.8414 90; 101.047; 90 | 595.91 | Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions Journal of the American Chemical Society, 2002, 124, 8891-8902 |
4126310 | CIF | C10 H12 Cl4 N2 Np O2 | P -1 | 7.7161; 10.2869; 11.274 78.003; 71.909; 75.712 | 815.91 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126314 | CIF | C10 H12 Cl4 N2 O2 Pu | P -1 | 7.7417; 10.3137; 11.2637 77.936; 71.773; 75.432 | 818.42 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4126309 | CIF | C10 H12 Cl4 N2 O2 U | P -1 | 7.732; 10.312; 11.343 78.07; 72.22; 75.6 | 825.7 | Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, 2017 |
4119558 | CIF | C10 H12 Co D4 K N8 | P 4/m n c | 8.2371; 8.2371; 11.6 90; 90; 90 | 787.1 | Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233 |
4119559 | CIF | C10 H12 Co D4 K N8 | P 4/m n c | 8.277; 8.277; 11.622 90; 90; 90 | 796.2 | Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233 |
4134679 | CIF | C10 H12 Cu F6 Hf N2 O2 | P 1 2/n 1 | 6.259; 9.2167; 12.2518 90; 90.846; 90 | 706.7 | Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R. Machine-Learning-Assisted Synthesis of Polar Racemates. Journal of the American Chemical Society, 2020, 142, 7555-7566 |
4131997 | CIF | C10 H12 Cu F6 N10 O Si | C 1 2/c 1 | 16.3598; 11.2335; 21.3117 90; 91.676; 90 | 3914.9 | Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations. Journal of the American Chemical Society, 2018, 140, 4596-4603 |
4134681 | CIF | C10 H12 Cu F6 N2 O2 Ti | P n m a | 7.727; 14.3219; 12.3521 90; 90; 90 | 1366.95 | Nisbet, Matthew L.; Pendleton, Ian M.; Nolis, Gene M.; Griffith, Kent J.; Schrier, Joshua; Cabana, Jordi; Norquist, Alexander J.; Poeppelmeier, Kenneth R. Machine-Learning-Assisted Synthesis of Polar Racemates. Journal of the American Chemical Society, 2020, 142, 7555-7566 |
4107309 | CIF | C10 H12 Cu2 N4 | I -4 3 d | 26.407; 26.407; 26.407 90; 90; 90 | 18414 | Jie-Peng Zhang; Susumu Kitagawa Supramolecular Isomerism, Framework Flexibility, Unsaturated Metal Center, and Porous Property of Ag(I)/Cu(I) 3,3',5,5'-Tetrametyl-4,4'-Bipyrazolate Journal of the American Chemical Society, 2008, 130, 907-917 |
4112972 | CIF | C10 H12 Fe O4 P Zn0.5 | P c c n | 9.695; 26.7; 8.864 90; 90; 90 | 2294.5 | Olivier Oms; Jean Le Bideau; Fabrice Leroux; Arie van der Lee; Dominique Leclercq; André Vioux Mixed 1D-2D Inorganic Polymeric Zinc Ferrocenylphosphonate: Crystal Structure and Electrochemical Study Journal of the American Chemical Society, 2004, 126, 12090-12096 |
1100464 | CIF | C10 H12 I N3 | C 1 2/c 1 | 26.993; 5.599; 15.917 90; 105.44; 90 | 2318.78 | Boche, Gernot; Andrews, Phil; Harms, Klaus; Marsch, Michael; Rangappa, Kanchugarakoppal S.; Schimeczek, Michael; Willeke, Christoph Crystal and Electronic Structure of Stable Nitrenium Ions. A Comparison with Structurally Related Carbenes Journal of the American Chemical Society, 1996, 118, 4925-4930 |
4116617 | CIF | C10 H12 N O2 | P 1 21/a 1 | 10.98; 4.862; 17.72 90; 97.93; 90 | 936.9 | Akikazu Matsumoto; Toru Odani; Masaaki Chikada; Kazuki Sada; Mikiji Miyata Crystal-Lattice Controlled Photopolymerization of Di(benzylammonium) (Z,Z)-Muconates Journal of the American Chemical Society, 1999, 121, 11122-11129 |
4131979 | CIF | C10 H12 N O3 S | P 1 21/n 1 | 8.8901; 7.0512; 16.8721 90; 95.229; 90 | 1053.24 | Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145 |
4131978 | CIF | C10 H12 N O4 S | P 1 21/c 1 | 8.124; 5.7011; 23.0661 90; 93.074; 90 | 1066.79 | Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks. Journal of the American Chemical Society, 2018, 140, 5138-5145 |
4128674 | CIF | C10 H12 N2 O | P 1 21 1 | 6.1799; 8.3702; 9.1069 90; 106.537; 90 | 451.59 | Zhu, Jie S.; Li, Clarabella J.; Tsui, Ka Yi; Kraemer, Niklas; Son, Jung-Ho; Haddadin, Makhluf J.; Tantillo, Dean J.; Kurth, Mark J. Accessing Multiple Classes of 2 H-Indazoles: Mechanistic Implications for the Cadogan and Davis-Beirut Reactions. Journal of the American Chemical Society, 2019, 141, 6247-6253 |
4115164 | CIF | C10 H12 N2 O2 | P -1 | 9.234; 9.254; 12.706 73.199; 76.044; 70.494 | 967.1 | Alexander A. Tishkov; Alexander D. Dilman; Valery I. Faustov; Arsenij A. Birukov; Konstantin S. Lysenko; Paul A. Belyakov; Sema L. Ioffe; Yury A. Strelenko; Michael Yu. Antipin Structure and Stereodynamics of N,N-Bis(silyloxy)enamines Journal of the American Chemical Society, 2002, 124, 11358-11367 |
4120316 | CIF | C10 H12 N2 O2 | P 1 21/c 1 | 7.6315; 12.0996; 10.2473 90; 97.95; 90 | 937.1 | Subash Chandra Sahoo; Manas K. Panda; Naba K. Nath; Panče Naumov Biomimetic Crystalline Actuators: Structure-Kinematic Aspects of the Self-Actuation and Motility of Thermosalient Crystals Journal of the American Chemical Society, 2013, 135, 12241-12251 |
4127699 | CIF | C10 H12 N2 O5 | P -1 | 7.9812; 12.549; 12.711 63.35; 73.51; 83.41 | 1090.9 | Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine. Journal of the American Chemical Society, 2019, 141, 16279-16287 |
4127700 | CIF | C10 H12 N2 O5 | P -1 | 6.721; 7.967; 10.75 76.398; 89.55; 80.515 | 551.5 | Lengyel, Jeff; Wang, Xiaoping; Choi, Eun Sang; Besara, Tiglet; Schönemann, Rico; Ramakrishna, Sanath Kumar; Holleman, Jade; Blockmon, Avery L.; Hughey, Kendall D.; Liu, Tianhan; Hudis, Jacob; Beery, Drake; Balicas, Luis; McGill, Stephen A.; Hanson, Kenneth; Musfeldt, Janice L.; Siegrist, Theo; Dalal, Naresh S.; Shatruk, Michael Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine. Journal of the American Chemical Society, 2019, 141, 16279-16287 |
4132369 | CIF | C10 H12 N4 O2 | P 1 21/c 1 | 9.8903; 4.6929; 11.8569 90; 96.707; 90 | 546.56 | Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks. Journal of the American Chemical Society, 2018, 140, 6467-6473 |
4131460 | CIF | C10 H12 N4 Pd | P 1 21/c 1 | 9.9648; 34.1529; 13.0537 90; 106.465; 90 | 4260.35 | Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment. Journal of the American Chemical Society, 2017, 139, 10633-10636 |
4105799 | CIF | C10 H12 N6 O3 | P 1 21/n 1 | 9.9777; 20.156; 11.0109 90; 92.311; 90 | 2212.6 | Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W. Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2011, 133, 4149-4150 |
4112258 | CIF | C10 H12 O4 | I b a 2 | 13.483; 21.392; 6.8956 90; 90; 90 | 1988.9 | Shinji 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 |
4113696 | CIF | C10 H12 O4 | P -1 | 5.976; 7.55; 11.552 96.3; 90.03; 105.77 | 498.3 | F. Albert Cotton; James P. Donahue; Carlos A. Murillo Polyunsaturated Dicarboxylate Tethers Connecting Dimolybdenum Redox and Chromophoric Centers: Syntheses, Structures, and Electrochemistry Journal of the American Chemical Society, 2003, 125, 5436-5450 |
4127501 | CIF | C10 H12 O4 | P -1 | 7.7553; 8.2119; 8.3575 77.75; 69.61; 66.847 | 456.97 | Fan, Jie; Liao, Ge; Kindinger, Florian; Ludwig-Radtke, Lena; Yin, Wen-Bing; Li, Shu-Ming Peniphenone and Penilactone Formation in Penicillium crustosum via 1,4-Michael Additions of ortho-Quinone Methide from Hydroxyclavatol to γ-Butyrolactones from Crustosic Acid. Journal of the American Chemical Society, 2019, 141, 4225-4229 |
4104584 | CIF | C10 H13 Br O2 | P 1 21 1 | 6.2315; 8.0843; 10.0707 90; 92.451; 90 | 506.87 | Sang Young Yun; Jun-Cheng Zheng; Daesung Lee Stereoelectronic Effect for the Selectivity in C-H Insertion of Alkylidene Carbenes and Its Application to the Synthesis of Platensimycin Journal of the American Chemical Society, 2009, 131, 8413-8415 |
4105800 | CIF | C10 H13 Cl N6 O3 | P -1 | 7.0578; 7.96; 12.8899 72.221; 77.298; 65.396 | 623.35 | Powner, Matthew W.; Sutherland, John D.; Szostak, Jack W. Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2011, 133, 4149-4150 |
4121746 | CIF | C10 H13 Cl2 N O | P 1 c 1 | 9.4966; 10.2364; 12.0587 90; 104.097; 90 | 1136.94 | Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S. Palau'chlor: A Practical and Reactive Chlorinating Reagent. Journal of the American Chemical Society, 2014, 136, 6908-6911 |
4110131 | CIF | C10 H13 Cr Mn N8 | P 1 21/c 1 | 7.85; 14.31; 12.97 90; 90.1; 90 | 1457 | Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions Journal of the American Chemical Society, 2007, 129, 13706-13712 |
4132012 | CIF | C10 H13 F12 N O3 | P -1 | 9.5076; 9.6913; 9.753 103.771; 91.642; 113.628 | 791.84 | Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations. Journal of the American Chemical Society, 2018, 140, 4344-4353 |
4122587 | CIF | C10 H13 Fe2 O5 P S2 | P -1 | 8.4937; 9.4901; 11.7656 101.03; 104.003; 113.074 | 801.9 | Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J. Electronic control of the protonation rates of Fe-Fe bonds. Journal of the American Chemical Society, 2014, 136, 13038-13044 |
4125020 | CIF | C10 H13 I N6 O3 | P 1 21 1 | 4.5885; 10.0115; 16.2053 90; 90.413; 90 | 744.42 | Piotrowski, David W.; Kamlet, Adam S.; Dechert-Schmitt, Anne-Marie R; Yan, Jiangli; Brandt, Thomas A.; Xiao, Jun; Wei, Liuqing; Barrila, Mark T. Regio- and Enantioselective Synthesis of Azole Hemiaminal Esters by Lewis Base Catalyzed Dynamic Kinetic Resolution. Journal of the American Chemical Society, 2016, 138, 4818-4823 |
4133545 | CIF | C10 H13 N O S | P 1 21 1 | 6.45; 10.41727; 14.8501 90; 99.2411; 90 | 984.85 | Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine. Journal of the American Chemical Society, 2018, 140, 17404-17408 |
4117747 | CIF | C10 H13 N O2 | P 1 21/c 1 | 10.308; 6.921; 13.374 90; 105.34; 90 | 920.1 | Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait Journal of the American Chemical Society, 2012, 134, 5938-5953 |
4122847 | CIF | C10 H13 N3 | P b c a | 7.7043; 15.9073; 15.9426 90; 90; 90 | 1953.8 | Longstreet, Ashley R.; Jo, Minyoung; Chandler, Rebecca R.; Hanson, Kenneth; Zhan, Naiqian; Hrudka, Jeremy J.; Mattoussi, Hedi; Shatruk, Michael; McQuade, D. Tyler Ylidenemalononitrile enamines as fluorescent "turn-on" indicators for primary amines. Journal of the American Chemical Society, 2014, 136, 15493-15496 |
4129773 | CIF | C10 H13 N4 O5.5 S | P 1 | 4.8777; 7.7049; 17.0972 81.369; 82.83; 72.019 | 602.14 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605 |
4118525 | CIF | C10 H13 N6 O S | P 1 21/n 1 | 8.8428; 17.383; 16.123 90; 90.286; 90 | 2478.3 | Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W. Multicomponent Assembly of Proposed DNA Precursors in Water Journal of the American Chemical Society, 2012, 134, 13889-13895 |
4120325 | CIF | C10 H14 B10 F4 | P c a 21 | 21.924; 7.5397; 9.2002 90; 90; 90 | 1520.8 | Zaozao Qiu; Yangjian Quan; Zuowei Xie Palladium-Catalyzed Selective Fluorination of o-Carboranes Journal of the American Chemical Society, 2013, 135, 12192-12195 |
4120327 | CIF | C10 H14 B10 F4 | P 21 21 21 | 7.1817; 8.6876; 24.463 90; 90; 90 | 1526.3 | Zaozao Qiu; Yangjian Quan; Zuowei Xie Palladium-Catalyzed Selective Fluorination of o-Carboranes Journal of the American Chemical Society, 2013, 135, 12192-12195 |
4103344 | CIF | C10 H14 Br N O3 | P 1 21/c 1 | 8.7129; 10.4699; 12.4154 90; 92.979; 90 | 1131 | Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution Journal of the American Chemical Society, 2010, 132, 14780-14789 |
4116018 | CIF | C10 H14 Cl3 N O Pt S | P -1 | 7.1808; 8.317; 12.725 93.87; 98.78; 105.75 | 718.11 | Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study Journal of the American Chemical Society, 2000, 122, 5189-5200 |
4107214 | CIF | C10 H14 Cu O6 P2 | C 1 2/c 1 | 18.566; 7.7903; 9.7596 90; 90.748; 90 | 1411.5 | Simon S. Iremonger; Junmei Liang; Ramanathan Vaidhyanathan; Isaac Martens; George K. H. Shimizu; Thomas D. Daff; Mohammad Zein Aghaji; Saeid Yeganegi; Tom K. Woo Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks Journal of the American Chemical Society, 2011, 133, 20048-20051 |
4128139 | CIF | C10 H14 Fe N4 | P 31 2 1 | 8.4206; 8.4206; 13.1696 90; 90; 120 | 808.7 | López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8. Journal of the American Chemical Society, 2019, 141, 7173-7180 |
4101903 | CIF | C10 H14 I N O3 | P 1 21/c 1 | 11.536; 6.2833; 16.804 90; 104.543; 90 | 1179 | Xinqiang Fang; Kun Liu; Chaozhong Li Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals Journal of the American Chemical Society, 2010, 132, 2274-2283 |
4101904 | CIF | C10 H14 I N O3 | P -1 | 6.84; 7.013; 13.178 79.04; 89.21; 73.583 | 594.8 | Xinqiang Fang; Kun Liu; Chaozhong Li Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals Journal of the American Chemical Society, 2010, 132, 2274-2283 |
4115505 | CIF | C10 H14 N3 O3 S | P -1 | 7.2609; 7.4075; 13.1537 89.189; 77.186; 62.193 | 606.91 | K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward The Generality of Architectural Isomerism in Designer Inclusion Frameworks Journal of the American Chemical Society, 2001, 123, 4421-4431 |
4126893 | CIF | C10 H14 N4 O4 Zn | I -4 3 m | 17.2458; 17.2458; 17.2458 90; 90; 90 | 5129.2 | Hobday, Claire L.; Bennett, Thomas D.; Fairen-Jimenez, David; Graham, Alexander J.; Morrison, Carole A.; Allan, David R.; Düren, Tina; Moggach, Stephen A. Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society, 2017 |
4129771 | CIF | C10 H14 N4 O5 S | P 1 21 1 | 4.8225; 8.003; 15.9946 90; 97.432; 90 | 612.12 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605 |
4129774 | CIF | C10 H14 N4 O6 S | P 21 21 21 | 6.9429; 11.0987; 16.3128 90; 90; 90 | 1257.02 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Chemical Mutagenesis of an Emissive RNA Alphabet. Journal of the American Chemical Society, 2015, 137, 14602-14605 |
4103570 | CIF | C10 H14 N6 O3 | P 1 21/n 1 | 4.576; 13.064; 20.128 90; 90.429; 90 | 1203.2 | Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688 |
4103571 | CIF | C10 H14 N6 O4 | P 21 21 21 | 7.749; 11.1967; 14.0827 90; 90; 90 | 1221.86 | Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688 |
4103572 | CIF | C10 H14 N6 O4 | P 1 21/n 1 | 4.4783; 18.704; 14.171 90; 98.611; 90 | 1173.6 | Matthew W. Powner; John D. Sutherland; Jack W. Szostak Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water Journal of the American Chemical Society, 2010, 132, 16677-16688 |
4115923 | CIF | C10 H14 N8 O6 Pt | P -1 | 8.878; 10.223; 10.313 62.44; 77.18; 69.93 | 777.2 | Ralf-Dieter Schnebeck; Eva Freisinger; Frank Glahé; Bernhard Lippert Molecular Architecture Based on Metal Triangles Derived from 2,2'-Bipyrazine (Bpz) and EnMII (M = Pt, Pd) Journal of the American Chemical Society, 2000, 122, 1381-1390 |
4101953 | CIF | C10 H14 O | R -3 :H | 21.9236; 21.9236; 10.0361 90; 90; 120 | 4177.53 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101954 | CIF | C10 H14 O | R -3 :H | 20.0129; 20.0129; 11.9485 90; 90; 120 | 4144.42 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101955 | CIF | C10 H14 O | R -3 :H | 14.6614; 14.6614; 22.7128 90; 90; 120 | 4228.17 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101956 | CIF | C10 H14 O | R -3 :H | 21.1499; 21.1499; 10.9707 90; 90; 120 | 4249.93 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101957 | CIF | C10 H14 O | P 1 21/c 1 | 8.3762; 5.1455; 21.9095 90; 109.281; 90 | 891.327 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101958 | CIF | C10 H14 O | R -3 :H | 23.4015; 23.4015; 9.2166 90; 90; 120 | 4371.08 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101959 | CIF | C10 H14 O | P 1 21/n 1 | 17.1461; 5.0284; 11.0202 90; 109.469; 90 | 895.808 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101960 | CIF | C10 H14 O | P 21 21 21 | 4.5362; 12.2286; 16.2915 90; 90; 90 | 903.712 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101961 | CIF | C10 H14 O | R -3 :H | 22.7159; 22.7159; 9.2069 90; 90; 120 | 4114.38 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101962 | CIF | C10 H14 O | P 21 21 21 | 23.2015; 8.6198; 4.5444 90; 90; 90 | 908.845 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101963 | CIF | C10 H14 O | P 21 21 21 | 12.1203; 16.1584; 4.6365 90; 90; 90 | 908.034 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101964 | CIF | C10 H14 O | C 1 2/c 1 | 17.8291; 4.5894; 24.0942 90; 69.6837; 90 | 1848.86 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101965 | CIF | C10 H14 O | P 1 21/a 1 | 17.1957; 4.6403; 12.03 90; 109.939; 90 | 902.369 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101966 | CIF | C10 H14 O | I 1 2/a 1 | 22.8234; 4.7105; 17.6462 90; 73.2208; 90 | 1816.36 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101967 | CIF | C10 H14 O | C 1 2/c 1 | 26.4489; 4.6486; 16.7492 90; 116.586; 90 | 1841.57 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101968 | CIF | C10 H14 O | P 1 21/a 1 | 19.9525; 4.5351; 11.0565 90; 68.2256; 90 | 929.083 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101969 | CIF | C10 H14 O | I 1 2/a 1 | 24.2387; 4.6525; 18.1098 90; 115.793; 90 | 1838.79 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101970 | CIF | C10 H14 O | C 1 2/c 1 | 24.4512; 4.6442; 16.7109 90; 105.874; 90 | 1825.26 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4101971 | CIF | C10 H14 O | P 1 21/n 1 | 12.5972; 4.7007; 16.3407 90; 109.644; 90 | 911.31 | Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy Journal of the American Chemical Society, 2010, 132, 2564-2566 |
4123577 | CIF | C10 H14 O2 | P 1 21 1 | 7.2838; 7.068; 8.6698 90; 100.133; 90 | 439.38 | Masarwa, 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 |
4127758 | CIF | C10 H14 O3 | P 1 21 1 | 6.9327; 7.3133; 8.9299 90; 95.124; 90 | 450.94 | Tan, Yun-Xuan; Zhang, Fang; Xie, Pei-Pei; Zhang, Shuo-Qing; Wang, Yi-Fan; Li, Qing-Hua; Tian, Ping; Hong, Xin; Lin, Guo-Qiang Rhodium(III)-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes: An Experimental and DFT Study. Journal of the American Chemical Society, 2019, 141, 12770-12779 |
4127342 | CIF | C10 H14 O4 | C 1 2/c 1 | 21.1666; 7.7501; 12.954 90; 108.914; 90 | 2010.28 | Zhang, 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 |
4130770 | CIF | C10 H14 O4 | P 1 21/c 1 | 5.9569; 10.5931; 15.0785 90; 91.0247; 90 | 951.33 | Davis, Dexter C.; Walker, Katherine L.; Hu, Chunhua; Zare, Richard N.; Waymouth, Robert M.; Dai, Mingji Catalytic Carbonylative Spirolactonization of Hydroxycyclopropanols. Journal of the American Chemical Society, 2016, 138, 10693-10699 |
4125096 | CIF | C10 H14 O5 | P 1 21/c 1 | 3.9342; 27.324; 9.9305 90; 96.314; 90 | 1061 | Li, Gang; Kuo, Jonathan L.; Han, Arthur; Abuyuan, Janine M.; Young, Lily C.; Norton, Jack R.; Palmer, Joshua H. Radical Isomerization and Cycloisomerization Initiated by H• Transfer. Journal of the American Chemical Society, 2016, 138, 7698-7704 |
4104384 | CIF | C10 H15 B Cl N Zr | P 1 21/c 1 | 8.1; 10.792; 15.087 90; 119.12; 90 | 1152.14 | Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes Journal of the American Chemical Society, 2009, 131, 6689-6691 |
4108297 | CIF | C10 H15 B Cl2 F4 Fe2 N O5 P S2 | P -1 | 10.523; 14.085; 15.516 97.095; 101.417; 90.182 | 2236.1 | Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site Journal of the American Chemical Society, 2008, 130, 12021-12030 |
4126568 | CIF | C10 H15 B F3 N | P 1 21/n 1 | 7.546; 12.6; 11.855 90; 105.288; 90 | 1087.3 | Légaré Lavergne, Julien; Jayaraman, Arumugam; Misal-Castro, Luis C; Rochette, Etienne; Fontaine, Frédéric-Georges Metal-Free Borylation of Heteroarenes using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C-H Bond Activation. Journal of the American Chemical Society, 2017 |
4126078 | CIF | C10 H15 B10 N O2 | P 1 21/n 1 | 11.5496; 6.8211; 18.6932 90; 94.936; 90 | 1467.21 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4126079 | CIF | C10 H15 B10 N O2 | P 1 21/c 1 | 7.0828; 7.5414; 27.6234 90; 96.54; 90 | 1465.88 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4126080 | CIF | C10 H15 B10 N O2 | P 1 21/n 1 | 6.8825; 34.5844; 12.4876 90; 93.418; 90 | 2967.1 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4114677 | CIF | C10 H15 Cl2 Cr O | P -1 | 6.3902; 8.5992; 11.0202 85.291; 86.502; 89.568 | 602.4 | James S. Hess; Somying Leelasubcharoen; Arnold L. Rheingold; Douglas J. Doren; Klaus H. Theopold Spin Surface Crossing in Chromium-Mediated Olefin Epoxidation with O2 Journal of the American Chemical Society, 2002, 124, 2454-2455 |
4119855 | CIF | C10 H15 F3 O5 S | P 1 21/c 1 | 8.9055; 9.8677; 14.8112 90; 107.445; 90 | 1241.7 | Gorkem Gunbas; William L. Sheppard; James C. Fettinger; Marilyn M. Olmstead; Mark Mascal Extreme Oxatriquinanes: Structural Characterization of α-Oxyoxonium Species with Extraordinarily Long Carbon-Oxygen Bonds Journal of the American Chemical Society, 2013, 135, 8173-8176 |
4123249 | CIF | C10 H15 N O | P n m a | 12.744; 6.6351; 10.4218 90; 90; 90 | 881.2 | Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J. The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion. Journal of the American Chemical Society, 2015, 137, 926-930 |
4102644 | CIF | C10 H15 N O2 | P -1 | 6.8952; 8.7695; 8.9826 69.553; 72.897; 80.674 | 485.36 | Gardner S. Creech; Ohyun Kwon Tandem 6π-Electrocyclization and Cycloaddition of Nitrodienes to Yield Multicyclic Nitroso Acetals Journal of the American Chemical Society, 2010, 132, 8876-8877 |
4113959 | CIF | C10 H15 N O2 S2 | P 21 21 21 | 5.286; 7.6575; 29.617 90; 90; 90 | 1198.8 | David A. Evans; C. Wade Downey; Jed L. Hubbs Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates Journal of the American Chemical Society, 2003, 125, 8706-8707 |
4125729 | CIF | C10 H15 N O3 | P 21 21 21 | 6.7401; 11.1362; 13.6362 90; 90; 90 | 1023.52 | Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J. Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands. Journal of the American Chemical Society, 2017, 139, 1412-1415 |
4129039 | CIF | C10 H15 N O3 S | P 1 21 1 | 9.491; 6.116; 9.9296 90; 101.54; 90 | 564.73 | Yuan, Jingsong; Xiong, Wei; Zhou, Xuhao; Zhang, Yi; Shi, Dong; Li, Zichen; Lu, Hua 4-Hydroxyproline-Derived Sustainable Polythioesters: Controlled Ring-Opening Polymerization, Complete Recyclability, and Facile Functionalization. Journal of the American Chemical Society, 2019, 141, 4928-4935 |
4118012 | CIF | C10 H15 N O6 | P 1 21 1 | 7.8901; 11.4722; 12.9352 90; 91.536; 90 | 1170.43 | Kyle L. Kimmel; Jimmie D. Weaver; Melissa Lee; Jonathan A. Ellman Catalytic Enantioselective Protonation of Nitronates Utilizing an Organocatalyst Chiral Only at Sulfur Journal of the American Chemical Society, 2012, 134, 9058-9061 |
4121755 | CIF | C10 H16 B Cl N2 O2 | P -1 | 7.6158; 8.4994; 10.1588 75.01; 78.014; 73.334 | 602.15 | Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S. Palau'chlor: A Practical and Reactive Chlorinating Reagent. Journal of the American Chemical Society, 2014, 136, 6908-6911 |
4104383 | CIF | C10 H16 B N Zr | P 1 21/c 1 | 7.984; 14.837; 10.305 90; 117.83; 90 | 1079.52 | Taryn D. Forster; Heikki M. Tuononen; Masood Parvez; Roland Roesler Characterization of β-B-Agostic Isomers in Zirconocene Amidoborane Complexes Journal of the American Chemical Society, 2009, 131, 6689-6691 |
4121847 | CIF | C10 H16 B10 | P 1 21/c 1 | 24.5147; 7.0276; 17.2539 90; 110.603; 90 | 2782.4 | Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics. Journal of the American Chemical Society, 2014, 136, 7599-7602 |
4127707 | CIF | C10 H16 B10 F N O | C 1 2/c 1 | 33.7489; 13.4301; 24.9712 90; 116.232; 90 | 10152.6 | Au, Yik Ki; Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Catalytic Cascade Dehydrogenative Cross-Coupling of BH/CH and BH/NH: One-Pot Process to Carborano-Isoquinolinone. Journal of the American Chemical Society, 2019, 141, 12855-12862 |
4134949 | CIF | C10 H16 Br N O2 | P 21 21 21 | 5.9297; 9.0915; 19.9795 90; 90; 90 | 1077.09 | Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G. Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy. Journal of the American Chemical Society, 2020, 142, 9850-9857 |
4111146 | CIF | C10 H16 Cl N O2 S | P 21 21 21 | 6.8389; 8.3595; 21.712 90; 90; 90 | 1241.27 | Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights Journal of the American Chemical Society, 2006, 128, 15236-15247 |
4131928 | CIF | C10 H16 Cl2 Cu N16 O6 | C 1 2/c 1 | 14.6638; 8.9883; 16.3538 90; 90.324; 90 | 2155.44 | Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209 |
4131929 | CIF | C10 H16 Cl2 Cu N16 O6 | P -1 | 6.7837; 8.182; 10.1959 108.068; 101.188; 90.137 | 526.6 | Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209 |
4119556 | CIF | C10 H16 Co K N8 | P 4/m n c | 8.242; 8.242; 11.584 90; 90; 90 | 786.9 | Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233 |
4119557 | CIF | C10 H16 Co K N8 | P 4/m n c | 8.2895; 8.2895; 11.621 90; 90; 90 | 798.5 | Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal Journal of the American Chemical Society, 2013, 135, 5230-5233 |
4128539 | CIF | C10 H16 Fe2 N S4 | I 41/a :2 | 17.1853; 17.1853; 20.4819 90; 90; 90 | 6049.01 | Horwitz, Noah E.; Xie, Jiaze; Filatov, Alexander S.; Papoular, Robert J.; Shepard, William E.; Zee, David Z.; Grahn, Mia P.; Gilder, Chloe; Anderson, John S. Redox-Active 1D Coordination Polymers of Iron-Sulfur Clusters. Journal of the American Chemical Society, 2019, 141, 3940-3951 |
1100296 | CIF | C10 H16 Li N O | P 1 21/c 1 | 11.493; 9.567; 19.636 90; 93.18; 90 | 2155.72 | Boche, Gernot; Harms, Klaus; Marsch, Michael X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom Journal of the American Chemical Society, 1988, 110, 6925-6926 |
4129065 | CIF | C10 H16 N O | P b c a | 12.98637; 11.75812; 11.72942 90; 90; 90 | 1791.03 | Dragulescu-Andrasi, Alina; Filatov, Alexander S.; Oakley, Richard T.; Li, Xiang; Lekin, Kristina; Huq, Ashfia; Pak, Chongin; Greer, Samuel M.; McKay, Johannes; Jo, Minyoung; Lengyel, Jeff; Hung, Ivan; Maradzike, Elvis; DePrince, A. Eugene; Stoian, Sebastian A.; Hill, Stephen; Hu, Yan-Yan; Shatruk, Michael Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis. Journal of the American Chemical Society, 2019 |
4120264 | CIF | C10 H16 N2 O2 | P 21 21 21 | 8.44; 8.862; 13.239 90; 90; 90 | 990.2 | Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins Journal of the American Chemical Society, 2013, 135, 11996-12003 |
4118530 | CIF | C10 H16 N6 O4 S | P -1 | 8.7; 20.0767; 23.68 97.662; 91.72; 90.016 | 4097.3 | Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W. Multicomponent Assembly of Proposed DNA Precursors in Water Journal of the American Chemical Society, 2012, 134, 13889-13895 |
4123578 | CIF | C10 H16 O2 | P 32 | 18.8316; 18.8316; 6.8064 90; 90; 120 | 2090.37 | Masarwa, 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 |
4123667 | CIF | C10 H16 O2 | P 43 21 2 | 7.8391; 7.8391; 30.7247 90; 90; 90 | 1888.08 | Masarwa, 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 |
4123668 | CIF | C10 H16 O2 | P 43 | 7.7371; 7.7371; 30.9059 90; 90; 90 | 1850.11 | Masarwa, 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 |
4100370 | CIF | C10 H16 O3 | P 1 21/n 1 | 12.012; 6.8002; 13.1662 90; 115.748; 90 | 968.69 | Katsuhiko Tomooka Journal of the American Chemical Society, 2005 |
4107602 | CIF | C10 H16 O3 | P -1 | 6.945; 7.426; 10.987 85.366; 86.896; 63.74 | 506.4 | Maksim Royzen; Glenn P. A. Yap; Joseph M. Fox A Photochemical Synthesis of Functionalized trans-Cyclooctenes Driven by Metal Complexation Journal of the American Chemical Society, 2008, 130, 3760-3761 |
4123665 | CIF | C10 H16 O3 | P 1 21 1 | 6.94; 12.1429; 11.5499 90; 93.316; 90 | 971.7 | Masarwa, 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 |
4123666 | CIF | C10 H16 O3 | P 1 21 1 | 7.3713; 10.8358; 11.8516 90; 91.104; 90 | 946.46 | Masarwa, 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 |
4123669 | CIF | C10 H16 O3 | P 21 21 21 | 8.294; 9.0364; 12.17 90; 90; 90 | 912.12 | Masarwa, 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 |
4126662 | CIF | C10 H16 O4 | P 31 | 12.007; 12.007; 6.4662 90; 90; 120 | 807.3 | Hashimoto, Satoshi; Katoh, Shun-Ichiro; Kato, Takehiro; Urabe, Daisuke; Inoue, Masayuki Total Synthesis of Resiniferatoxin Enabled by Radical-Mediated Three-Component Coupling and 7-endo Cyclization. Journal of the American Chemical Society, 2017 |
4119729 | CIF | C10 H16 O7 | P 1 | 8.2828; 8.5783; 12.4406 80.819; 87.674; 89.574 | 871.89 | Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley Polycarbonates Derived from Glucose via an Organocatalytic Approach Journal of the American Chemical Society, 2013, 135, 6826-6829 |
4129372 | CIF | C10 H16.5 Br Cl O1.25 | P 21 21 2 | 16.4144; 23.4402; 5.9992 90; 90; 90 | 2308.2 | Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z. Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols. Journal of the American Chemical Society, 2015, 137, 3795-3798 |
4100980 | CIF | C10 H17 B F4 N4 O3 | P n m a | 6.5925; 10.6552; 21.296 90; 90; 90 | 1495.93 | Peddy Vishweshwar; Jennifer A. McMahon; Mark Oliveira; Matthew L. Peterson; Michael J. Zaworotko Journal of the American Chemical Society, 2005 |
4120334 | CIF | C10 H17 B7 Fe | P -1 | 6.5321; 8.0627; 12.6859 73.519; 84.233; 77.446 | 624.81 | Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes Journal of the American Chemical Society, 2013, 135, 12407-12413 |
4114172 | CIF | C10 H17 Br5 N2 | P 1 21/c 1 | 7.6795; 12.9359; 16.5349 90; 101.481; 90 | 1609.73 | Sergey V. Lindeman; Jürgen Hecht; Jay K. Kochi The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons Journal of the American Chemical Society, 2003, 125, 11597-11606 |
4108596 | CIF | C10 H17 Co N O7 P2 | P 1 21/c 1 | 8.354; 29.211; 6.2171 90; 110.621; 90 | 1419.9 | Andrei V. Palii; Oleg S. Reu; Sergei M. Ostrovsky; Sophia I. Klokishner; Boris S. Tsukerblat; Zhong-Ming Sun; Jiang-Gao Mao; Andrey V. Prosvirin; Han-Hua Zhao; Kim R. Dunbar A Highly Anisotropic Cobalt(II)-Based Single-Chain Magnet: Exploration of Spin Canting in an Antiferromagnetic Array Journal of the American Chemical Society, 2008, 130, 14729-14738 |
4110130 | CIF | C10 H17 Cr Mn N8 O2 | P 1 21/n 1 | 7.681; 14.498; 16.598 90; 97.326; 90 | 1833.3 | Wakako Kaneko; Masaaki Ohba; Susumu Kitagawa A Flexible Coordination Polymer Crystal Providing Reversible Structural and Magnetic Conversions Journal of the American Chemical Society, 2007, 129, 13706-13712 |
4112226 | CIF | C10 H17 N O3 | P 1 21/n 1 | 12.198; 6.272; 14.501 90; 107.04; 90 | 1060.7 | Frederick A. Villamena; Christopher M. Hadad; Jay L. Zweier Theoretical Study of the Spin Trapping of Hydroxyl Radical by Cyclic Nitrones: A Density Functional Theory Approach Journal of the American Chemical Society, 2004, 126, 1816-1829 |
4107689 | CIF | C10 H17 N O4 S | C 1 2/c 1 | 27.957; 7.6891; 11.327 90; 98.949; 90 | 2405.3 | Aaron R. Thornton; Simon B. Blakey Catalytic Metallonitrene/Alkyne Metathesis: A Powerful Cascade Process for the Synthesis of Nitrogen-Containing Molecules Journal of the American Chemical Society, 2008, 130, 5020-5021 |
4110202 | CIF | C10 H17 N3 O3 S | P n m a | 20.044; 7.464; 8.63 90; 90; 90 | 1291.1 | Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660 |
4110203 | CIF | C10 H17 N3 O3 S | P n m a | 18.513; 7.4798; 9.3991 90; 90; 90 | 1301.5 | Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660 |
4110233 | CIF | C10 H17 N3 O3 S | P b c a | 14.501; 12.686; 47.584 90; 90; 90 | 8754 | Matthew J. Horner; K. Travis Holman; Michael D. Ward Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders Journal of the American Chemical Society, 2007, 129, 14640-14660 |
4128453 | CIF | C10 H18 B Cl O2 | P -1 | 7.339; 7.6739; 11.4931 105.065; 95.119; 114.634 | 553.57 | Landry, Matthew L.; McKenna, Grace M.; Burns, Noah Z. Enantioselective Synthesis of Azamerone. Journal of the American Chemical Society, 2019, 141, 2867-2871 |
4122136 | CIF | C10 H18 B Cl3 Ga Mo N O4 Si2 | P 21 21 21 | 12.0364; 12.668; 14.0217 90; 90; 90 | 2138 | Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds. Journal of the American Chemical Society, 2014, 136, 9560-9563 |
4107994 | CIF | C10 H18 B Cu F3 N2 | P -1 | 8.249; 9.803; 16.222 84.265; 86.712; 83.729 | 1296 | Galyna G. Dubinina; Hideki Furutachi; David A. Vicic Active Trifluoromethylating Agents from Well-Defined Copper(I)-CF3 Complexes Journal of the American Chemical Society, 2008, 130, 8600-8601 |
4123503 | CIF | C10 H18 B10 | P 1 21/n 1 | 10.246; 13.688; 10.528 90; 91.892; 90 | 1475.7 | Quan, Yangjian; Xie, Zuowei Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation. Journal of the American Chemical Society, 2015, 150310140942007 |
4127482 | CIF | C10 H18 B10 Cl N O | P -1 | 10.2815; 12.6911; 13.9103 92.039; 109.668; 104.582 | 1639.64 | Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via "Cage-Walking" Strategy. Journal of the American Chemical Society, 2019, 141, 4219-4224 |
4106286 | CIF | C10 H18 Br Li N2 O4 | P 41 21 2 | 9.1703; 9.1703; 15.5694 90; 90; 90 | 1309.3 | Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227 |
4106288 | CIF | C10 H18 Cl Li N2 O4 | P 41 21 2 | 9.0791; 9.0791; 15.4104 90; 90; 90 | 1270.28 | Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227 |
4127410 | CIF | C10 H18 Cl2 Sn2 | P b c a | 6.626; 19.1358; 24.4346 90; 90; 90 | 3098.2 | Hicks, Jamie; Vasko, Petra; Goicoechea, Jose M.; Aldridge, Simon Reversible, Room-Temperature C-C Bond Activation of Benzene by an Isolable Metal Complex. Journal of the American Chemical Society, 2019, 141, 11000-11003 |
4115015 | CIF | C10 H18 Cl4 Pt Si2 | P b c n | 8.26; 16.961; 11.406 90; 90; 90 | 1598 | Aroop K. Roy; Richard B. Taylor The First Alkene-Platinum-Silyl Complexes: Lifting the Hydrosilation Mechanism Shroud with Long-Lived Precatalytic Intermediates and True Pt Catalysts Journal of the American Chemical Society, 2002, 124, 9510-9524 |
4117582 | CIF | C10 H18 F6 O10 S2 Sn | P 1 21/n 1 | 8.7518; 16.127; 14.8106 90; 101.022; 90 | 2051.8 | Charles L. B. Macdonald; Rajoshree Bandyopadhyay; Benjamin F. T. Cooper; Warren W. Friedl; Aaron J. Rossini; Robert W. Schurko; S. Holger Eichhorn; Rolfe H. Herber Experimental and Computational Insights into the Stabilization of Low-Valent Main Group Elements Using Crown Ethers and Related Ligands Journal of the American Chemical Society, 2012, 134, 4332-4345 |
4115762 | CIF | C10 H18 F8 I2 N3 O P | P c a 21 | 20.312; 8.679; 12.045 90; 90; 90 | 2123 | Qianli Chu; Zhemin Wang; Qichen Huang; Chunhua Yan; Shizheng Zhu Fluorine-Containing Donor-Acceptor Complex: Infinite Chain Formed by Oxygen...Iodine Interaction Journal of the American Chemical Society, 2001, 123, 11069-11070 |
4106291 | CIF | C10 H18 Li N3 O7 | P 21 21 21 | 11.0448; 12.0393; 20.2019 90; 90; 90 | 2686.28 | Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227 |
4106292 | CIF | C10 H18 Li N3 O7 | P 21 21 21 | 9.5219; 9.5664; 15.0812 90; 90; 90 | 1373.8 | Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227 |
4106451 | CIF | C10 H18 N2 O14 Zn2 | P -1 | 6.722; 8.897; 9.501 62.779; 88.615; 71.692 | 474.9 | Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework Journal of the American Chemical Society, 2011, 133, 11050-11053 |
4117828 | CIF | C10 H18 N2 O3 | P 1 21/c 1 | 10.3706; 9.6865; 11.846 90; 93.873; 90 | 1187.3 | Maréva Fèvre; Julien Pinaud; Alexandre Leteneur; Yves Gnanou; Joan Vignolle; Daniel Taton; Karinne Miqueu; Jean-Marc Sotiropoulos Imidazol(in)ium Hydrogen Carbonates as a Genuine Source of N-Heterocyclic Carbenes (NHCs): Applications to the Facile Preparation of NHC Metal Complexes and to NHC-Organocatalyzed Molecular and Macromolecular Syntheses Journal of the American Chemical Society, 2012, 134, 6776-6784 |
4116327 | CIF | C10 H18 N2 O4 P2 | C 1 2/c 1 | 14.6181; 8.3199; 11.878 90; 115.877; 90 | 1299.77 | Douglas E. Berning; Kattesh V. Katti; Charles L. Barnes; Wynn A. Volkert Chemical and Biomedical Motifs of the Reactions of Hydroxymethylphosphines with Amines, Amino Acids, and Model Peptides Journal of the American Chemical Society, 1999, 121, 1658-1664 |
4130278 | CIF | C10 H18 N4 O | P 1 21/c 1 | 11.2054; 5.6226; 17.6834 90; 93.73; 90 | 1111.76 | Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation. Journal of the American Chemical Society, 2016, 138, 5403-5409 |
4112824 | CIF HKL | C10 H18 O S2 | P 1 21/c 1 | 8.786; 12.028; 11.204 90; 92.372; 90 | 1183 | Kentaro Okuma; Toshiyuki Shigetomi; Yoshinori Nibu; Kosei Shioji; Masato Yoshida; Yoshinobu Yokomori Synthesis of Isolable Thiirane-2-thione (α-Dithiolactone) from Thioketene S-Oxide Journal of the American Chemical Society, 2004, 126, 9508-9509 |
4108581 | CIF | C10 H18 O2 | P 1 21 1 | 5.3896; 9.8022; 9.3448 90; 90.939; 90 | 493.62 | Bruce H. Lipshutz; Benjamin Amorelli; John B. Unger CuH-Catalyzed Enantioselective Intramolecular Reductive Aldol Reactions Generating Three New Contiguous Asymmetric Stereocenters Journal of the American Chemical Society, 2008, 130, 14378-14379 |
4105370 | CIF | C10 H18 O4 | P 1 21 1 | 6.0434; 8.5691; 10.8387 90; 95.146; 90 | 559.04 | Morris Markert; Ulf Scheffler; Rainer Mahrwald Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers Journal of the American Chemical Society, 2009, 131, 16642-16643 |
4116147 | CIF | C10 H18 O4 | P 1 21/c 1 | 10.9106; 5.0109; 9.7936 90; 93.451; 90 | 534.46 | Venkat R. Thalladi; Markus Nüsse; Roland Boese The Melting Point Alternation in α,ω-Alkanedicarboxylic Acids Journal of the American Chemical Society, 2000, 122, 9227-9236 |
4114873 | CIF | C10 H18 O6 Sn3 | P 21 21 21 | 21.4033; 24.3825; 24.4347 90; 90; 90 | 12751.6 | Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters Journal of the American Chemical Society, 2002, 124, 6904-6913 |
4101452 | CIF | C10 H19 B11 | P c a 21 | 29.9835; 6.9576; 14.8049 90; 90; 90 | 3088.5 | Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes. Journal of the American Chemical Society, 2006, 128, 5219-5230 |
4132333 | CIF | C10 H19 Br O2 | C 1 2 1 | 24.997; 5.1956; 18.1896 90; 104.221; 90 | 2290 | Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L. Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents. Journal of the American Chemical Society, 2018, 140, 7052-7055 |
4106933 | CIF | C10 H19 Br O3 | P 1 21/c 1 | 15.255; 8.603; 8.606 90; 95.675; 90 | 1123.9 | Scott A. Snyder; Daniel S. Treitler; Alexandria P. Brucks; Wesley Sattler A General Strategy for the Stereocontrolled Preparation of Diverse 8- and 9-Membered Laurencia-Type Bromoethers Journal of the American Chemical Society, 2011, 133, 15898-15901 |
4113583 | CIF | C10 H19 Cl N2 O12 | P -1 | 5.5253; 7.169; 10.823 81.321; 88.518; 76.042 | 411.3 | Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems Journal of the American Chemical Society, 2003, 125, 3631-3641 |
4107940 | CIF | C10 H19 Cl N2 O7 | P 1 21 1 | 4.919; 7.856; 18.784 90; 91.27; 90 | 725.7 | Mohamed Mohamed Naseer Ali; Udayanath Aich; Babu Varghese; Anne Imberty Conformational Preferences of the Aglycon Moiety in Models and Analogs of GlcNAc-Asn Linkage: Crystal Structures and ab Initio Quantum Chemical Calculations of N-(β-d-Glycopyranosyl)haloacetamides Journal of the American Chemical Society, 2008, 130, 8317-8325 |
4113581 | CIF | C10 H19 N O4 | P b c a | 8.412; 9.589; 28.063 90; 90; 90 | 2263.6 | Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems Journal of the American Chemical Society, 2003, 125, 3631-3641 |
4111666 | CIF | C10 H2 F12 O4 Zn | C 1 2/c 1 | 20.3991; 7.8389; 20.312 90; 109.276; 90 | 3065.9 | Evgeny V. Dikarev; Haitao Zhang; Bo Li Heterometallic Bismuth-Transition Metal Homoleptic β-Diketonates Journal of the American Chemical Society, 2005, 127, 6156-6157 |
4102710 | CIF | C10 H20 B10 O | P -1 | 7.8439; 9.9497; 11.2367 101.613; 108.27; 100.565 | 786.55 | Sunewang R. Wang; Zaozao Qiu; Zuowei Xie Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes Journal of the American Chemical Society, 2010, 132, 9988-9989 |
4102711 | CIF | C10 H20 B10 O | P 1 21/n 1 | 6.9769; 12.9283; 17.4054 90; 94.134; 90 | 1565.87 | Sunewang R. Wang; Zaozao Qiu; Zuowei Xie Insertion of Carboryne into Aromatic Rings: Formation of Cyclooctatetraenocarboranes Journal of the American Chemical Society, 2010, 132, 9988-9989 |
4125151 | CIF | C10 H20 B10 O | P 1 21/n 1 | 8.6489; 13.1773; 13.8649 90; 94.794; 90 | 1574.64 | Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. Journal of the American Chemical Society, 2016, 138, 9081-9084 |
4125155 | CIF | C10 H20 B10 O | P 21 21 21 | 7.6501; 13.2544; 15.2454 90; 90; 90 | 1545.85 | Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. Journal of the American Chemical Society, 2016, 138, 9081-9084 |
4126073 | CIF | C10 H20 B10 O | P -1 | 11.7531; 14.5081; 20.6459 104.277; 99.855; 110.189 | 3072.4 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4126074 | CIF | C10 H20 B10 O | P 1 21/c 1 | 11.0205; 18.651; 7.7745 90; 103.99; 90 | 1550.6 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4126075 | CIF | C10 H20 B10 O | P -1 | 11.895; 15.005; 20.362 105.498; 99.46; 110.281 | 3149.5 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4126076 | CIF | C10 H20 B10 O | P 21 21 21 | 7.834; 13.872; 14.386 90; 90; 90 | 1563.37 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4126077 | CIF | C10 H20 B10 O | P 1 21/n 1 | 8.6489; 13.1773; 13.8649 90; 94.794; 90 | 1574.64 | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. Journal of the American Chemical Society, 2017 |
4103972 | CIF | C10 H20 Cl O2 P | P c a 21 | 25.078; 7.7656; 11.962 90; 90; 90 | 2329.5 | Monica Carreira; Manutsavin Charernsuk; Michael Eberhard; Natalie Fey; Roel van Ginkel; Alex Hamilton; Wilhelmus P. Mul; A. Guy Orpen; Hirihataya Phetmung; Paul G. Pringle Anatomy of Phobanes. Diastereoselective Synthesis of the Three Isomers of n-Butylphobane and a Comparison of their Donor Properties Journal of the American Chemical Society, 2009, 131, 3078-3092 |
4131925 | CIF | C10 H20 Cl2 Cu N16 O8 | C 1 2/c 1 | 15.0672; 9.0113; 17.5426 90; 97.696; 90 | 2360.39 | Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion. Journal of the American Chemical Society, 2018, 140, 3206-3209 |
4101196 | CIF | C10 H20 Cl3 Ge N2 P | P n m a | 12.964; 17.3985; 7.3944 90; 90; 90 | 1667.84 | Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides Journal of the American Chemical Society, 2006 |
4101197 | CIF | C10 H20 Cl3 N2 P Sn | P n m a | 12.7132; 17.4583; 7.7723 90; 90; 90 | 1725.07 | Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Du Mont, Wolf-Walter P-Hydrogen substituted 1,3,2-Diazaphospholenes: Molecular Hydrides Journal of the American Chemical Society, 2006 |
4104218 | CIF | C10 H20 Cl3 Nb O2 | P -1 | 6.9774; 7.2895; 15.4878 79.058; 78.262; 71.287 | 723.87 | Rocío Arteaga-Müller; Hayato Tsurugi; Teruhiko Saito; Masao Yanagawa; Seiji Oda; Kazushi Mashima New Tantalum Ligand-Free Catalyst System for Highly Selective Trimerization of Ethylene Affording 1-Hexene: New Evidence of a Metallacycle Mechanism Journal of the American Chemical Society, 2009, 131, 5370-5371 |
4134273 | CIF | C10 H20 F4 I4 N2 Pb | A e a 2 | 9.2974; 25.1758; 8.9611 90; 90; 90 | 2097.52 | Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020 |
4134277 | CIF | C10 H20 F4 I4 N2 Pb | A e a 2 | 9.2541; 25.0703; 8.9483 90; 90; 90 | 2076.03 | Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020 |
4134282 | CIF | C10 H20 F4 I4 N2 Pb | A e a 2 | 9.3456; 25.3587; 9.0113 90; 90; 90 | 2135.61 | Zhang, Han-Yue; Song, Xian-Jiang; Chen, Xiao-Gang; Zhang, Zhi-Xu; You, Yu-Meng; Tang, Yuan-Yuan; Xiong, Ren-Gen Observation of vortex domains in a two-dimensional lead iodide perovskite ferroelectric. Journal of the American Chemical Society, 2020 |
4112931 | CIF | C10 H20 Fe N3 O S2 | P 1 21/n 1 | 7.665; 23.861; 7.803 90; 112.869; 90 | 1314.9 | Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2 Journal of the American Chemical Society, 2004, 126, 10867-10874 |
4128404 | CIF | C10 H20 Mn N9 | P 21 21 21 | 7.5991; 9.5866; 20.193 90; 90; 90 | 1471.1 | Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J. Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand. Journal of the American Chemical Society, 2019, 141, 5699-5709 |
4125865 | CIF | C10 H20 N2 O S4 V | P 1 21/c 1 | 12.7241; 13.8775; 9.4376 90; 105.076; 90 | 1609.12 | Atzori, Matteo; Tesi, Lorenzo; Benci, Stefano; Lunghi, Alessandro; Righini, Roberto; Taschin, Andrea; Torre, Renato; Sorace, Lorenzo; Sessoli, Roberta Spin Dynamics and Low Energy Vibrations: Insights from Vanadyl-Based Potential Molecular Qubits. Journal of the American Chemical Society, 2017, 139, 4338-4341 |
4101257 | CIF | C10 H20 N2 O3 | P 61 | 14.573; 14.573; 10.354 90; 90; 120 | 1904.3 | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744 |
4125573 | CIF | C10 H20 N2 Se | P b c a | 11.4233; 10.80265; 18.95402 90; 90; 90 | 2338.96 | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. Journal of the American Chemical Society, 2017, 139, 2296-2305 |
4100247 | CIF | C10 H20 N4 O8 | P 1 21 1 | 4.8451; 18.326; 8.678 90; 104.029; 90 | 747.5 | Journal of the American Chemical Society, 2005 |
4126564 | CIF | C10 H20 O18 P4 Pr | P 1 21/c 1 | 5.964; 18.27; 18.965 90; 95.62; 90 | 2056.5 | Wong, Norman E.; Ramaswamy, Padmini; Lee, Andrew; Gelfand, Benjamin S.; Bladek, Kamila; Taylor, Jared M.; Spasyuk, Denis; Shimizu, George K. H. Tuning Intrinsic and Extrinsic Proton Conduction in Metal-Organic Frameworks by the Lanthanide Contraction. Journal of the American Chemical Society, 2017 |
4125156 | CIF | C10 H21 B10 N O2 | P -1 | 12.7259; 12.9299; 20.6344 100.156; 98.573; 96.338 | 3272 | Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. Journal of the American Chemical Society, 2016, 138, 9081-9084 |
4130812 | CIF | C10 H21 B10 N O2 S | C 1 2/c 1 | 24.2592; 7.3926; 19.8972 90; 98.5493; 90 | 3528.7 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines. Journal of the American Chemical Society, 2016, 138, 12727-12730 |
4130813 | CIF | C10 H21 B10 N O3 S | C 1 2/c 1 | 25.0743; 7.4905; 19.9945 90; 101.104; 90 | 3685 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines. Journal of the American Chemical Society, 2016, 138, 12727-12730 |
4112932 | CIF | C10 H21 Fe N4 O2 S2 | P b c a | 16.448; 12.384; 28.996 90; 90; 90 | 5906 | Chao-Yi Chiang; Matthew L. Miller; Joseph H. Reibenspies; Marcetta Y. Darensbourg Bismercaptoethanediazacyclooctane as a N2S2 Chelating Agent and Cys-X-Cys Mimic for Fe(NO) and Fe(NO)2 Journal of the American Chemical Society, 2004, 126, 10867-10874 |
4119791 | CIF | C10 H21 N O2 | P n m a | 19.6025; 11.5901; 9.6145 90; 90; 90 | 2184.37 | Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases Journal of the American Chemical Society, 2013, 135, 7751-7760 |
4121604 | CIF | C10 H21 N2 O0.5 | C 1 2/c 1 | 22.675; 6.1256; 16.5599 90; 113.194; 90 | 2114.2 | Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand. Journal of the American Chemical Society, 2014, 136, 4829-4832 |
4104484 | CIF | C10 H22 Br F6 N O2 P2 Si | P 1 21/c 1 | 16.0802; 9.2065; 15.4421 90; 111.208; 90 | 2131.26 | Keith Huynh; Alan J. Lough; Michelle A. M. Forgeron; Martin Bendle; Alejandro Presa Soto; Roderick E. Wasylishen; Ian Manners Synthesis and Reactivity of Phosphine-Stabilized Phosphoranimine Cations, [R3P.PR'2=NSiMe3]+ Journal of the American Chemical Society, 2009, 131, 7905-7916 |
4106290 | CIF | C10 H22 Li N3 O7 | P 1 21/c 1 | 16.0472; 8.4767; 10.8836 90; 103.731; 90 | 1438.2 | Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko 2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials Journal of the American Chemical Society, 2011, 133, 9224-9227 |
4121605 | CIF | C10 H22 N2 O | C 1 2/c 1 | 15.671; 5.0499; 13.9788 90; 90.849; 90 | 1106.1 | Fujita, Ken-Ichi; Tanaka, Yui; Kobayashi, Masato; Yamaguchi, Ryohei Homogeneous perdehydrogenation and perhydrogenation of fused bicyclic N-heterocycles catalyzed by iridium complexes bearing a functional bipyridonate ligand. Journal of the American Chemical Society, 2014, 136, 4829-4832 |
4111048 | CIF | C10 H23 N3 O11 P2 | P 1 21/c 1 | 8.6608; 14.173; 15.231 90; 102.704; 90 | 1823.8 | Junhong Mao; Sujoy Mukherjee; Yong Zhang; Rong Cao; John M. Sanders; Yongcheng Song; Yonghui Zhang; Gary A. Meints; Yi Gui Gao; Dushyant Mukkamala; Michael P. Hudock; Eric Oldfield Solid-State NMR, Crystallographic, and Computational Investigation of Bisphosphonates and Farnesyl Diphosphate Synthase-Bisphosphonate Complexes Journal of the American Chemical Society, 2006, 128, 14485-14497 |
4125101 | CIF | C10 H23 N3 O3 | P 21 21 21 | 8.1091; 9.773; 16.327 90; 90; 90 | 1293.9 | Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J. Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling. Journal of the American Chemical Society, 2016, 138, 7939-7945 |
4105995 | CIF | C10 H24 B10 O2 | C 1 2/c 1 | 28.0596; 7.3777; 17.1759 90; 112.127; 90 | 3293.8 | Sunewang R. Wang; Zaozao Qiu; Zuowei Xie Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers Journal of the American Chemical Society, 2011, 133, 5760-5763 |
4119270 | CIF | C10 H24 B2 N4 | P -1 | 8.3848; 11.5802; 14.6971 86.343; 84.661; 71.837 | 1349.15 | Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity Journal of the American Chemical Society, 2013, 135, 1903-1911 |
4133889 | CIF | C10 H24 Br4 N2 O2 Pb | C m c 21 | 26.972; 8.9027; 7.9566 90; 90; 90 | 1910.6 | Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient. Journal of the American Chemical Society, 2019 |
4133890 | CIF | C10 H24 Br4 N2 O2 Pb | C m c 21 | 26.89; 8.8834; 8.0708 90; 90; 90 | 1927.9 | Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient. Journal of the American Chemical Society, 2019 |
4116392 | CIF | C10 H24 Cl Fe N10 O4 | P 1 21/c 1 | 13.641; 8.851; 15.266 90; 99.53; 90 | 1817.7 | Karsten Meyer; Eckhard Bill; Bernd Mienert; Thomas Weyhermüller; Karl Wieghardt Photolysis of cis- and trans-[FeIII(cyclam)(N3)2]+ Complexes: Spectroscopic Characterization of a Nitridoiron(V) Species Journal of the American Chemical Society, 1999, 121, 4859-4876 |
4116781 | CIF | C10 H24 Cl Mn N10 O4 | P -1 | 9.462; 9.511; 11.434 79.45; 81.07; 63.5 | 902.1 | Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands Journal of the American Chemical Society, 1998, 120, 7260-7270 |
4115996 | CIF | C10 H24 Cl2 Fe N5 O5 | P b c a | 13.01; 10.853; 23.692 90; 90; 90 | 3345.3 | Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy Journal of the American Chemical Society, 2000, 122, 4352-4365 |
4116783 | CIF | C10 H24 Cl2 Mn N5 O4 | P b c a | 13.101; 10.896; 23.203 90; 90; 90 | 3312.2 | Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands Journal of the American Chemical Society, 1998, 120, 7260-7270 |
4116785 | CIF | C10 H24 Cl2 Mn N5 O8 | P 1 21/c 1 | 9.378; 13.134; 15.158 90; 99.88; 90 | 1839.3 | Karsten Meyer; Jesper Bendix; Nils Metzler-Nolte; Thomas Weyhermüller; Karl Wieghardt Nitridomanganese(V) and -(VI) Complexes Containing Macrocyclic Amine Ligands Journal of the American Chemical Society, 1998, 120, 7260-7270 |
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