Crystallography Open Database
Search results
Result: there are 5115 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching space group like 'C 1 2/m 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4118546 | CIF | C132 H60 N4 Ni Sm | C 1 2/m 1 | 25.3373; 14.8267; 20.4311 90; 97.05; 90 | 7617.3 | Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82 Journal of the American Chemical Society, 2012, 134, 14127-14136 |
| 4118547 | CIF | C130 H56 N4 Ni Sm | C 1 2/m 1 | 25.3364; 15.0718; 19.7948 90; 94.208; 90 | 7538.6 | Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82 Journal of the American Chemical Society, 2012, 134, 14127-14136 |
| 4118548 | CIF | C132 H60 N4 Ni Sm | C 1 2/m 1 | 25.2726; 14.9311; 20.3162 90; 96.892; 90 | 7610.9 | Hua Yang; Hongxiao Jin; Xinqing Wang; Ziyang Liu; Meilan Yu; Fukun Zhao; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82 Journal of the American Chemical Society, 2012, 134, 14127-14136 |
| 4118889 | CIF | C130 H56 N4 Ni Yb | C 1 2/m 1 | 25.335; 15.045; 19.813 90; 94.27; 90 | 7531.1 | Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin) Journal of the American Chemical Society, 2012, 134, 18772-18778 |
| 4118890 | CIF | C130 H56 N4 Ni Yb | C 1 2/m 1 | 25.264; 15.169; 19.869 90; 95.078; 90 | 7584.5 | Mitsuaki Suzuki; Zdenek Slanina; Naomi Mizorogi; Xing Lu; Shigeru Nagase; Marilyn M. Olmstead; Alan L. Balch; Takeshi Akasaka Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin) Journal of the American Chemical Society, 2012, 134, 18772-18778 |
| 4118983 | CIF | Li2 Na21 O200 U24 | C 1 2/m 1 | 26.184; 26.175; 18.4154 90; 132.259; 90 | 9341.2 | May Nyman; Todd M. Alam Dynamics of Uranyl Peroxide Nanocapsules Journal of the American Chemical Society, 2012, 134, 20131-20138 |
| 4119319 | CIF | C60 H50 Cl4 N2 P2 U | C 1 2/m 1 | 12.689; 19.686; 10.718 90; 98.191; 90 | 2650 | Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy Journal of the American Chemical Society, 2013, 135, 2279-2290 |
| 4119491 | CIF | C121.32 H49.33 Cl0.41 N4 Ni Sm3 | C 1 2/m 1 | 25.26; 15.1746; 19.7048 90; 95.067; 90 | 7523.5 | Wei Xu; Lai Feng; Matteo Calvaresi; Jia Liu; Yang Liu; Ben Niu; Zujin Shi; Yongfu Lian; Francesco Zerbetto An Experimentally Observed Trimetallofullerene Sm3@Ih-C80: Encapsulation of Three Metal Atoms in a Cage without a Nonmetallic Mediator Journal of the American Chemical Society, 2013, 135, 4187-4190 |
| 4119860 | CIF | C66 H102 N6 Nb2 | C 1 2/m 1 | 17.7537; 19.0483; 11.5495 90; 120.096; 90 | 3379.2 | Thomas L. Gianetti; Robert G. Bergman; John Arnold Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex Journal of the American Chemical Society, 2013, 135, 8145-8148 |
| 4120278 | CIF | C48 H108 O16 Si4 U | C 1 2/m 1 | 24.1332; 13.5042; 20.4034 90; 96.462; 90 | 6607.2 | Clément Camp; Jacques Pécaut; Marinella Mazzanti Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands Journal of the American Chemical Society, 2013, 135, 12101-12111 |
| 4120364 | CIF | C456 H264 B20 F54 N72 O12.4 Pd12 | C 1 2/m 1 | 47.453; 48.537; 38.13 90; 127.68; 90 | 69506 | Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization Journal of the American Chemical Society, 2013, 135, 12497-12499 |
| 4120366 | CIF | C456 H264 Ag19.2 B23 F92 N110.4 Pd12 | C 1 2/m 1 | 61.066; 61.073; 43.152 90; 135.02; 90 | 113758 | Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization Journal of the American Chemical Society, 2013, 135, 12497-12499 |
| 4120368 | CIF | C128 H48.8 N4 Ni S2.4 Yb | C 1 2/m 1 | 25.2813; 15.0472; 20.108 90; 96.34; 90 | 7602.6 | Wenjun Zhang; Mitsuaki Suzuki; Yunpeng Xie; Lipiao Bao; Wenting Cai; Zdenek Slanina; Shigeru Nagase; Ming Xu; Takeshi Akasaka; Xing Lu Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84 Journal of the American Chemical Society, 2013, 135, 12730-12735 |
| 4120432 | CIF | C15 H19 Cl Cu N7 O6 | C 1 2/m 1 | 21.381; 7.616; 15.488 90; 126.334; 90 | 2031.7 | Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M. Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks. Journal of the American Chemical Society, 2014, 136, 671-678 |
| 4120433 | CIF | C36 H52 Cl2 Cu2 N16 O13 | C 1 2/m 1 | 21.5868; 7.3214; 18.2301 90; 116.799; 90 | 2571.7 | Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M. Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks. Journal of the American Chemical Society, 2014, 136, 671-678 |
| 4120435 | CIF | C17 H23 Cl Cu N7 O6 | C 1 2/m 1 | 21.088; 7.861; 15.11 90; 123.989; 90 | 2077 | Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M. Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks. Journal of the American Chemical Society, 2014, 136, 671-678 |
| 4120769 | CIF | C273.01 H265.51 F36 N28.5 O12 P18 Re6 | C 1 2/m 1 | 31.2399; 30.3656; 21.5745 90; 131.866; 90 | 15241.2 | Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties Journal of the American Chemical Society, 2013, 135, 13266-13269 |
| 4120924 | CIF HKL | C28 H62 F12 N10 Ni2 P2 Se2 | C 1 2/m 1 | 11.986; 12.7; 14.465 90; 106.304; 90 | 2113.3 | Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap C-H Activation by a Diselenido Dinickel(II) Complex Journal of the American Chemical Society, 2013, 135, 14972-14974 |
| 4121146 | CIF HKL | Ca10.399 Cd26.704 Cu1.937 | C 1 2/m 1 | 22.7005; 15.5829; 16.2015 90; 104.396; 90 | 5551.2 | Amelia B. Hadler; Nicholas A. Harris; Daniel C. Fredrickson New Roles for Icosahedral Clusters in Intermetallic Phases: Micelle-like Segregation of Ca-Cd and Cu-Cd Interactions in Ca10Cd27Cu2 Journal of the American Chemical Society, 2013, 135, 17369-17378 |
| 4121654 | CIF | C10 H8 B2 F4 N4 | C 1 2/m 1 | 12.1963; 6.6666; 7.014 90; 105.85; 90 | 548.61 | Tamgho, Ingrid-Suzy; Hasheminasab, Abed; Engle, James T.; Nemykin, Victor N.; Ziegler, Christopher J. A New Highly Fluorescent and Symmetric Pyrrole-BF2 Chromophore: BOPHY. Journal of the American Chemical Society, 2014, 136, 5623 |
| 4121778 | CIF | C33 H22 Cu2 F4 N2 O8 | C 1 2/m 1 | 16.7516; 9.7376; 11.798 90; 118.328; 90 | 1694 | Takasaki, Yuichi; Takamizawa, Satoshi Gas permeation in a molecular crystal and space expansion. Journal of the American Chemical Society, 2014, 136, 6806-6809 |
| 4122260 | CIF | C128 H53 N4 Ni S2 Sc3 | C 1 2/m 1 | 26.788; 16.9531; 17.6337 90; 106.517; 90 | 7677.7 | Fang, Hongyun; Cong, Hailin; Suzuki, Mitsuaki; Bao, Lipiao; Yu, Bing; Xie, Yunpeng; Mizorogi, Naomi; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Akasaka, Takeshi; Lu, Xing Regioselective Benzyl Radical Addition to an Open-Shell Cluster Metallofullerene. Crystallographic Studies of Cocrystallized Sc3C2@Ih-C80 and Its Singly Bonded Derivative. Journal of the American Chemical Society, 2014, 136, 10534-10540 |
| 4122291 | CIF | C90 H66 F36 N6 P6 | C 1 2/m 1 | 23.1338; 30.56; 18.2064 90; 120.757; 90 | 11060.9 | Dale, Edward J.; Vermeulen, Nicolaas A.; Thomas, Andy A.; Barnes, Jonathan C.; Juríček, Michal; Blackburn, Anthea K.; Strutt, Nathan L.; Sarjeant, Amy A.; Stern, Charlotte L.; Denmark, Scott E.; Stoddart, J. Fraser ExCage Journal of the American Chemical Society, 2014, 136, 10669 |
| 4122318 | CIF | Sb8 Se24 Sn5 Tl4 | C 1 2/m 1 | 42.95; 3.967; 13.369 90; 98.813; 90 | 2251 | Fang, Lei; Iyer, Ratnasabapathy G.; Tan, Gangjian; West, Damien J.; Zhang, Shengbai; Kanatzidis, Mercouri G. The New Phase [Tl4Sb6Se10][Sn5Sb2Se14]: A Naturally Formed Semiconducting Heterostructure with Two-Dimensional Conductance. Journal of the American Chemical Society, 2014, 136, 11079-11084 |
| 4122475 | CIF | C4 H12 P2 S2 | C 1 2/m 1 | 18.657; 10.618; 6.9703 90; 95.02; 90 | 1375.5 | Chitnis, Saurabh S.; Whalen, J. Marc; Burford, Neil Influence of charge and coordination number on bond dissociation energies, distances, and vibrational frequencies for the phosphorus-phosphorus bond. Journal of the American Chemical Society, 2014, 136, 12498-12506 |
| 4123135 | CIF | C26 H27 N3 O2 Pd | C 1 2/m 1 | 23.663; 6.7979; 17.5827 90; 126.791; 90 | 2265 | Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides. Journal of the American Chemical Society, 2015, 137, 531-539 |
| 4123274 | CIF | Bi4 Fe2 Se8 | C 1 2/m 1 | 13.372; 4.1277; 15.072 90; 115.046; 90 | 753.68 | Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P. Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4. Journal of the American Chemical Society, 2015, 137, 691-698 |
| 4123275 | CIF | Bi4 Fe2 Se8 | C 1 2/m 1 | 13.2972; 4.1037; 15.038 90; 114.931; 90 | 744.12 | Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P. Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4. Journal of the American Chemical Society, 2015, 137, 691-698 |
| 4123276 | CIF | Bi4 Fe2 Se8 | C 1 2/m 1 | 13.3533; 4.1171; 15.0687 90; 115.037; 90 | 750.59 | Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P. Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4. Journal of the American Chemical Society, 2015, 137, 691-698 |
| 4123421 | CIF | C42 H25 O13 Zn4 | C 1 2/m 1 | 24.23; 24.193; 17.0847 90; 92.957; 90 | 10001.7 | Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B. Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold. Journal of the American Chemical Society, 2015, 137, 2223-2226 |
| 4123422 | CIF | C42 H24.5 O13.25 Zn4 | C 1 2/m 1 | 24.117; 24.219; 17.0669 90; 92.381; 90 | 9960 | Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B. Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold. Journal of the American Chemical Society, 2015, 137, 2223-2226 |
| 4123491 | CIF | O128 Si61 | C 1 2/m 1 | 21.2287; 17.8117; 12.3055 90; 124.759; 90 | 3822.7 | Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I. SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings. Journal of the American Chemical Society, 2015, 137, 2015-2020 |
| 4123492 | CIF | O128 Si64 | C 1 2/m 1 | 21.5314; 18.0366; 12.3918 90; 124.872; 90 | 3948.2 | Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I. SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings. Journal of the American Chemical Society, 2015, 137, 2015-2020 |
| 4123493 | CIF | C44 H80 N4 O128 Si64 | C 1 2/m 1 | 21.1727; 17.8092; 12.2869 90; 124.793; 90 | 3804.7 | Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I. SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings. Journal of the American Chemical Society, 2015, 137, 2015-2020 |
| 4123636 | CIF | C28 H36 | C 1 2/m 1 | 22.98; 6.6493; 16.198 90; 125.389; 90 | 2017.8 | Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A. Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models. Journal of the American Chemical Society, 2015, 137, 6577-6586 |
| 4124001 | CIF | Ba Ir O3 | C 1 2/m 1 | 10.0046; 5.75362; 15.1839 90; 103.27; 90 | 850.689 | Cheng Jinguang; Alonso, J.A.; Suard, E.; Goodenough, J.B.; Zhou Jianshi A new perovskite polytype in the high-pressure sequence of Ba Ir O3 Journal of the American Chemical Society, 2009, 131, 7461-7469 |
| 4124002 | CIF | Ba Ir O2.94 | C 1 2/m 1 | 9.9554; 5.7434; 13.8049 90; 119.231; 90 | 688.819 | Cheng Jinguang; Alonso, J.A.; Zhou Jianshi; Suard, E.; Goodenough, J.B. A new perovskite polytype in the high-pressure sequence of Ba Ir O3 Journal of the American Chemical Society, 2009, 131, 7461-7469 |
| 4124207 | CIF | C38 H32 N20 | C 1 2/m 1 | 14.3476; 17.8692; 12.2628 90; 121.697; 90 | 2675 | Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation. Journal of the American Chemical Society, 2015, 137, 9963-9970 |
| 4124290 | CIF | C41 H54 N3 O2 U | C 1 2/m 1 | 26.3976; 11.7278; 15.5037 90; 125.896; 90 | 3888.2 | Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C. Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals. Journal of the American Chemical Society, 2015, 137, 11115-11125 |
| 4124490 | CIF | C70 Cs1.068 Na2.04 | C 1 2/m 1 | 18.19; 10.406; 14.86 90; 144.78; 90 | 1622.18 | Denning, M.S.; Watts, I.D.; Rosseinsky, M.J.; Moussa, S.M.; Durand, P.; Tanigaki, K. Close-packed C70(3-) phases - synthesis, structure and electronic properties Journal of the American Chemical Society, 2002, 124, 5570-5580 |
| 4124512 | CIF | H2 O6 V2 | C 1 2/m 1 | 11.722; 3.57; 11.52 90; 88.65; 90 | 481.95 | Petkov, V.; Trikalitis, P.N.; Bozin, E.S.; Kanatzidis, M.G.; Billinge, S.J.L.; Vogt, T. Structure of V2 O5 * n(H2 O) xerogel solved by the atomic pair distribution function technique Journal of the American Chemical Society, 2002, 124, 10157-10162 |
| 4124638 | CIF | Na Ni O2 | C 1 2/m 1 | 5.33; 2.86; 5.59 90; 110.5; 90 | 79.816 | Dyer, L.D.; Borie, B.S.; Smith, G.P. Alkali metal-nickel oxides of the type M Ni O2 Journal of the American Chemical Society, 1954, 76, 1499-1503 |
| 4124714 | CIF | Nb3 Pd0.715 Se7 | C 1 2/m 1 | 12.803; 3.413; 21.058 90; 95.47; 90 | 915.974 | Keszler, D.A.; Ibers, J.A. Synthesis and structure of a new ternary chalcogenide Nb3 Pd0.72 Se7; interrelationships in the packing of prisms and planes Journal of the American Chemical Society, 1985, 107, 8119-8127 |
| 4124770 | CIF | C126.5 H54.5 Cl N4 Ni Sc2 V | C 1 2/m 1 | 25.273; 15.103; 19.695 90; 95.233; 90 | 7486 | Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2). Journal of the American Chemical Society, 2016, 138, 207-214 |
| 4124771 | CIF | C128.5 H56 N5 Ni Sc V2 | C 1 2/m 1 | 25.2821; 15.1254; 19.7824 90; 94.822; 90 | 7538.1 | Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2). Journal of the American Chemical Society, 2016, 138, 207-214 |
| 4125192 | CIF | C18 H36 B10 D3 I2 O3 P2 Ru | C 1 2/m 1 | 15.7357; 12.9295; 15.8165 90; 103.388; 90 | 3130.5 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. (BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center. Journal of the American Chemical Society, 2016, 138, 10531-10538 |
| 4125281 | CIF | C164 H124 B4 F16 N12 O4 Pd2 | C 1 2/m 1 | 23.187; 73.53; 23.314 90; 117.719; 90 | 35187 | Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H. Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage. Journal of the American Chemical Society, 2016, 138, 13750 |
| 4125408 | CIF | C92 H176 P4 Pd12 Sb21 | C 1 2/m 1 | 19.3446; 20.8536; 19.6141 90; 117.117; 90 | 7042.7 | Wang, Yi; Moses-DeBusk, Melanie; Stevens, Lauren; Hu, Junkai; Zavalij, Peter; Bowen, Kit; Dunlap, Brett I.; Glaser, Evan R.; Eichhorn, Bryan Sb@Ni12@Sb20(-/+) and Sb@Pd12@Sb20(n) Cluster Anions, Where n = +1, -1, -3, -4: Multi-Oxidation-State Clusters of Interpenetrating Platonic Solids. Journal of the American Chemical Society, 2017, 139, 619-622 |
| 4125558 | CIF | C336 H144 La4 N12 Ni3 | C 1 2/m 1 | 25.597; 15.54; 27.911 90; 113.193; 90 | 10205 | Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching. Journal of the American Chemical Society, 2017, 139, 4724-4728 |
| 4125559 | CIF | C142 H54 Cl2 La2 N4 Ni | C 1 2/m 1 | 25.684; 14.9762; 21.4659 90; 97.945; 90 | 8177.6 | Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching. Journal of the American Chemical Society, 2017, 139, 4724-4728 |
| 4125680 | CIF | C352 H316 N24 Ni24 O124 | C 1 2/m 1 | 24.1524; 40.1868; 23.7972 90; 118.944; 90 | 20212.7 | Zhang, Chen; Patil, Rahul S.; Liu, Chong; Barnes, Charles L.; Atwood, Jerry L. Controlled 2D Assembly of Nickel-Seamed Hexameric Pyrogallol[4]arene Nanocapsules. Journal of the American Chemical Society, 2017, 139, 2920-2923 |
| 4125820 | CIF | C14 H12 B Cl N2 O2 | C 1 2/m 1 | 12.676; 11.7614; 9.4574 90; 97.256; 90 | 1398.7 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
| 4125821 | CIF | C14 H12 B Br N2 O2 | C 1 2/m 1 | 12.6482; 11.8379; 9.6038 90; 97.379; 90 | 1426.1 | Georgiou, Irene; Kervyn, Simon; Rossignon, Alexandre; De Leo, Federica; Wouters, Johan; Bruylants, Gilles; Bonifazi, Davide Versatile Self-Adapting Boronic Acids for H-Bond Recognition: From Discrete to Polymeric Supramolecules. Journal of the American Chemical Society, 2017, 139, 2710-2727 |
| 4125851 | CIF | C36 H32 F12 N4 P2 | C 1 2/m 1 | 25.6496; 8.7129; 20.6646 90; 126.924; 90 | 3691.9 | Lipke, Mark C.; Cheng, Tao; Wu, Yilei; Arslan, Hasan; Xiao, Hai; Wasielewski, Michael R.; Goddard, William A.; Stoddart, J. Fraser Size-Matched Radical Multivalency. Journal of the American Chemical Society, 2017 |
| 4126029 | CIF | C66 O18 Zr3 | C 1 2/m 1 | 44.662; 21.571; 19.789 90; 113.282; 90 | 17512 | Cao, Lingyun; Lin, Zekai; Shi, Wenjie; Wang, Zi; Zhang, Cankun; Hu, Xuefu; Wang, Cheng; Lin, Wenbin Exciton Migration and Amplified Quenching on Two-Dimensional Metal-Organic Layers. Journal of the American Chemical Society, 2017, 139, 7020-7029 |
| 4126046 | CIF | C70 H68 N24 O4 | C 1 2/m 1 | 11.945; 26.364; 15.094 90; 98.517; 90 | 4701 | Lin, Yunxiao; Jiang, Xuanfeng; Kim, Samuel T.; Alahakoon, Sampath B.; Hou, Xisen; Zhang, Zhiyun; Thompson, Christina M.; Smaldone, Ronald A.; Ke, Chenfeng An Elastic Hydrogen-Bonded Cross-Linked Organic Framework for Effective Iodine Capture in Water. Journal of the American Chemical Society, 2017, 139, 7172-7175 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 4127014 | CIF | C118 H46 Cl6 Gd2 N4 Ni | C 1 2/m 1 | 24.9795; 15.4624; 19.4486 90; 95.16; 90 | 7481.4 | Hu, Ziqi; Dong, Bo-Wei; Liu, Zheng; Liu, Jun-Jie; Su, Jie; Yu, Changcheng; Xiong, Jin; Shi, Di-Er; Wang, Yuanyuan; Wang, Bing-Wu; Ardavan, Arzhang; Shi, Zujin; Jiang, Shang-Da; Gao, Song Endohedral Metallofullerene as Molecular High Spin Qubit: Diverse Rabi Cycles in Gd2@C79N. Journal of the American Chemical Society, 2017 |
| 4127022 | CIF | C40 H88 Ag14 B60 N12 S12 | C 1 2/m 1 | 22.3664; 19.6548; 19.5374 90; 111.905; 90 | 7968.7 | Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W. Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters. Journal of the American Chemical Society, 2018 |
| 4127078 | CIF | C450 H480 Ag52 Mo15 O60 P20 S26 | C 1 2/m 1 | 37.277; 38.673; 27.0826 90; 126.895; 90 | 31224 | Liu, Jia-Wei; Feng, Lei; Su, Hai-Feng; Wang, Zhi; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun Anisotropic Assembly of Ag52 and Ag76 Nanoclusters. Journal of the American Chemical Society, 2018 |
| 4127171 | CIF | C117 H46 Cl5 N4 Ni U2 | C 1 2/m 1 | 25.1208; 15.5044; 19.5147 90; 95.492; 90 | 7565.8 | Zhang, Xingxing; Wang, Yaofeng; Morales-Martínez, Roser; Zhong, Jun; de Graaf, Coen; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Feng, Lai; Chen, Ning U2@Ih(7)-C80: Crystallographic characterization of a long-sought dimetallic actinide endohedral fullerene. Journal of the American Chemical Society, 2018 |
| 4127194 | CIF | Al78 Fe23.78 Pt0.22 | C 1 2/m 1 | 15.4634; 8.0701; 12.4586 90; 107.686; 90 | 1481.24 | Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang Probing Single Pt Atoms in Complex Intermetallic Al<sub>13</sub>Fe<sub>4</sub>. Journal of the American Chemical Society, 2018 |
| 4127269 | CIF | C288 H378 Co18 N8 O103 | C 1 2/m 1 | 27.458; 36.623; 21.558 90; 116.955; 90 | 19324 | Hu, Xiangquan; Chai, Jie; Zhang, Chen; Lang, Jinxin; Kelley, Steven P.; Feng, Sisi; Liu, Bin; Atwood, David A.; Atwood, Jerry L. Biomimetic Self-Assembly of Co<sup>II</sup>-Seamed Hexameric Metal-Organic Nanocapsules. Journal of the American Chemical Society, 2019, 141, 9151-9154 |
| 4127582 | CIF | C21 H12 N12 O6 | C 1 2/m 1 | 23.0932; 8.0164; 20.0514 90; 105.212; 90 | 3581.9 | Han, Bin; Wang, Hailong; Wang, Chiming; Wu, Hui; Zhou, Wei; Chen, Banglin; Jiang, Jianzhuang Postsynthetic Metalation of a Robust Hydrogen-Bonded Organic Framework for Heterogeneous Catalysis. Journal of the American Chemical Society, 2019, 141, 8737-8740 |
| 4127687 | CIF | C48 H45 | C 1 2/m 1 | 19.435; 26.395; 10.1346 90; 90.369; 90 | 5198.8 | Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan [6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character. Journal of the American Chemical Society, 2019, 141, 16266-16270 |
| 4128011 | CIF | C36 H34 Cu2 F6 N5 O12 S2 | C 1 2/m 1 | 35.132; 10.4087; 14.2824 90; 109.398; 90 | 4926.3 | Tao, Wenjie; Bower, Jamey K.; Moore, Curtis E.; Zhang, Shiyu Dicopper μ-Oxo, μ-Nitrosyl Complex from the Activation of NO or Nitrite at a Dicopper Center. Journal of the American Chemical Society, 2019, 141, 10159-10164 |
| 4128250 | CIF | C42 H49 Cl2 Fe N7 O | C 1 2/m 1 | 24.1058; 14.1272; 13.1675 90; 107.411; 90 | 4278.7 | Drummond, Michael J.; Ford, Courtney L.; Gray, Danielle L.; Popescu, Codrina V.; Fout, Alison R. Radical Rebound Hydroxylation Versus H-Atom Transfer in Non-Heme Iron(III)-Hydroxo Complexes: Reactivity and Structural Differentiation. Journal of the American Chemical Society, 2019, 141, 6639-6650 |
| 4128711 | CIF | C8 H2 Co3 O10 | C 1 2/m 1 | 9.2727; 12.891; 5.4962 90; 90.015; 90 | 657 | Li, Liangying; Guo, Lidong; Zhang, Zhiguo; Yang, Qiwei; Yang, Yiwen; Bao, Zongbi; Ren, Qilong; Li, Jing A Robust Squarate-Based Metal-Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton. Journal of the American Chemical Society, 2019, 141, 9358-9364 |
| 4129208 | CIF | C12 H40 Ag Br8 In N4 | C 1 2/m 1 | 24.5633; 7.7838; 8.2501 90; 90.091; 90 | 1577.38 | Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides. Journal of the American Chemical Society, 2019 |
| 4129209 | CIF | C12 H40 Ag Bi Br8 N4 | C 1 2/m 1 | 24.503; 7.964; 8.384 90; 90.045; 90 | 1636.1 | Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides. Journal of the American Chemical Society, 2019 |
| 4129291 | CIF | C130.75 H56 N5 Ni Sc3 | C 1 2/m 1 | 25.2209; 15.1985; 19.9181 90; 94.772; 90 | 7608.5 | Wei, Tao; Wang, Song; Liu, Fupin; Tan, Yuanzhi; Zhu, Xianjun; Xie, Suyuan; Yang, Shangfeng Capturing the long-sought small-bandgap endohedral fullerene Sc3N@C82 with low kinetic stability. Journal of the American Chemical Society, 2015, 137, 3119-3123 |
| 4129760 | CIF | C4 Mn16 Si | C 1 2/m 1 | 10.28; 7.7913; 6.3715 90; 119.12; 90 | 445.8 | Fredrickson, Rie T.; Guo, Yiming; Fredrickson, Daniel C. Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4. Journal of the American Chemical Society, 2016, 138, 248-256 |
| 4130175 | CIF | C76 H58 N22 O24 S3 Zn8 | C 1 2/m 1 | 34.858; 38.935; 19.106 90; 121.613; 90 | 22083 | Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 5299-5307 |
| 4130176 | CIF | C88 H64 N20 O24 S3 Zn8 | C 1 2/m 1 | 52.786; 21.894; 33.863 90; 129.9; 90 | 30023.3 | Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks. Journal of the American Chemical Society, 2016, 138, 5299-5307 |
| 4130229 | CIF | C92 H68 F24 N6 P4 | C 1 2/m 1 | 24.3589; 16.5544; 10.64 90; 108.44; 90 | 4070.3 | Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser Cooperative Reactivity in an Extended-Viologen-Based Cyclophane. Journal of the American Chemical Society, 2016, 138, 3667-3670 |
| 4130230 | CIF | C76 H58 F24 N6 P4 | C 1 2/m 1 | 24.3589; 16.5544; 10.64 90; 108.44; 90 | 4070.3 | Dale, Edward J.; Ferris, Daniel P.; Vermeulen, Nicolaas A.; Henkelis, James J.; Popovs, Ilja; Juríček, Michal; Barnes, Jonathan C.; Schneebeli, Severin T.; Stoddart, J. Fraser Cooperative Reactivity in an Extended-Viologen-Based Cyclophane. Journal of the American Chemical Society, 2016, 138, 3667-3670 |
| 4130258 | CIF | C32 H58 Cl10 N6 Ru3 | C 1 2/m 1 | 21.221; 13.81; 9.163 90; 103.056; 90 | 2615.9 | Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides. Journal of the American Chemical Society, 2016, 138, 3596-3606 |
| 4130520 | CIF | C64 H61 F18 N7 P3 | C 1 2/m 1 | 27.8633; 19.6876; 14.3635 90; 121.019; 90 | 6752.5 | Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes. Journal of the American Chemical Society, 2016, 138, 8288-8300 |
| 4130965 | CIF | C30 H46 B2 Cl4 F N O7 S | C 1 2/m 1 | 33.5416; 7.4594; 15.8608 90; 106.7; 90 | 3801 | Davis, Holly J.; Mihai, Madalina T.; Phipps, Robert J. Ion Pair-Directed Regiocontrol in Transition-Metal Catalysis: A Meta-Selective C-H Borylation of Aromatic Quaternary Ammonium Salts. Journal of the American Chemical Society, 2016, 138, 12759-12762 |
| 4131115 | CIF | C131 H56 N5 Ni Tb | C 1 2/m 1 | 25.379; 15.128; 19.87 90; 94.727; 90 | 7602.8 | Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism. Journal of the American Chemical Society, 2016, 138, 14764-14771 |
| 4131116 | CIF | C131 H56 N5 Ni Tb | C 1 2/m 1 | 25.3335; 15.0135; 19.863 90; 93.987; 90 | 7536.5 | Liu, Fupin; Gao, Cong-Li; Deng, Qingming; Zhu, Xianjun; Kostanyan, Aram; Westerström, Rasmus; Wang, Song; Tan, Yuan-Zhi; Tao, Jun; Xie, Su-Yuan; Popov, Alexey A.; Greber, Thomas; Yang, Shangfeng Triangular Monometallic Cyanide Cluster Entrapped in Carbon Cage with Geometry-Dependent Molecular Magnetism. Journal of the American Chemical Society, 2016, 138, 14764-14771 |
| 4131223 | CIF | C128 H53 I0 N4 Ni O0 S2 Th | C 1 2/m 1 | 27.1225; 17.0996; 17.6908 90; 106.759; 90 | 7856.2 | Wang, Yaofeng; Morales-Martínez, Roser; Zhang, Xingxing; Yang, Wei; Wang, Yaxing; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Feng, Lai; Wang, Shuao; Chen, Ning Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C<sub>82</sub> Fullerene Cage: Complete Structural Characterization of Th@C<sub>3v</sub>(8)-C<sub>82</sub>. Journal of the American Chemical Society, 2017, 139, 5110-5116 |
| 4131342 | CIF | C122 H45 Cl6 Lu2 N4 Ni S0 | C 1 2/m 1 | 25.1184; 15.5983; 19.6259 90; 95.15; 90 | 7658.5 | Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages. Journal of the American Chemical Society, 2017, 139, 9979-9984 |
| 4131343 | CIF | C120 H44.83 Cl2.5 Lu2 N4 Ni S2.33 | C 1 2/m 1 | 25.2648; 15.5167; 19.4962 90; 94.4003; 90 | 7620.5 | Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages. Journal of the American Chemical Society, 2017, 139, 9979-9984 |
| 4131345 | CIF | C124 H46 Cl6 Lu2 N4 Ni S0 | C 1 2/m 1 | 25.481; 15.143; 20.168 90; 96.708; 90 | 7729 | Shen, Wangqiang; Bao, Lipiao; Wu, Yongbo; Pan, Changwang; Zhao, Shasha; Fang, Hongyun; Xie, Yunpeng; Jin, Peng; Peng, Ping; Li, Fang-Fang; Lu, Xing Lu<sub>2</sub>@C<sub>2n</sub> (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu-Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages. Journal of the American Chemical Society, 2017, 139, 9979-9984 |
| 4131578 | CIF | C66 H72 Mn4 Mo2 N38 O2 | C 1 2/m 1 | 15.059; 13.982; 19.194 90; 99.926; 90 | 3981 | Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Kempe, David; Zhang, Yuan-Zhu; Dunbar, Kim R.; Wang, Xin-Yi Reversible On-Off Switching of a Single-Molecule Magnet via a Crystal-to-Crystal Chemical Transformation. Journal of the American Chemical Society, 2017, 139, 11714-11717 |
| 4131930 | CIF | C6 H12 Cl2 Cu N12 O6 | C 1 2/m 1 | 13.5622; 15.5713; 7.7338 90; 91.559; 90 | 1632.6 | 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 |
| 4132015 | CIF | C2 H11 I4 N5 Pb | C 1 2/m 1 | 26.948; 12.8189; 14.408 90; 109.941; 90 | 4678.8 | Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Aebli, Marcel; Rainò, Gabriele; Benin, Bogdan M.; Wörle, Michael; Kovalenko, Maksym V. Guanidinium-Formamidinium Lead Iodide: A Layered Perovskite-Related Compound with Red Luminescence at Room Temperature. Journal of the American Chemical Society, 2018, 140, 3850-3853 |
| 4132037 | CIF | C38 H30 N4 O2 | C 1 2/m 1 | 13.039; 14.398; 7.8109 90; 97.6; 90 | 1453.5 | Sun, Yanqiu; Lei, Yilong; Dong, Huanli; Zhen, Yonggang; Hu, Wenping Solvatomechanical Bending of Organic Charge Transfer Cocrystal. Journal of the American Chemical Society, 2018, 140, 6186-6189 |
| 4132052 | CIF | C2 H12 I4 N2 O2 Pb | C 1 2/m 1 | 16.492; 4.7532; 10.4165 90; 113.907; 90 | 746.5 | 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 |
| 4132094 | CIF | C16 H48 Ag Bi Br8 N4 | C 1 2/m 1 | 27.0451; 8.1328; 8.4296 90; 90.081; 90 | 1854.11 | Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I. Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>. Journal of the American Chemical Society, 2018, 140, 5235-5240 |
| 4132118 | CIF | C150 H148 Au6 Cl F30 P17 | C 1 2/m 1 | 15.7952; 33.133; 19.067 90; 111.302; 90 | 9296.8 | Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L. Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex. Journal of the American Chemical Society, 2018, 140, 7533-7542 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!