Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1507411 | CIF | C72 H104 N6 O10 S2 | P n a 21 | 23.8484; 20.3212; 15.0907 90; 90; 90 | 7313.4 | Tumcharern, Gamolwan; Tuntulani, Thawatchai; Coles, Simon J.; Hursthouse, Michael B.; Kilburn, Jeremy D. A novel ditopic receptor and reversal of anion binding selectivity in the presence and absence of bound cation. Organic letters, 2003, 5, 4971-4974 |
| 1507412 | CIF | C52 H70 N4 O2 Ti | C 1 2/c 1 | 25.73; 10.4622; 18.785 90; 103.683; 90 | 4913.3 | Zhang, Zhe; Schafer, Laurel L. Anti-Markovnikov intermolecular hydroamination: a bis(amidate) titanium precatalyst for the preparation of reactive aldimines. Organic letters, 2003, 5, 4733-4736 |
| 1507413 | CIF | C26 H34 O8 | P 1 21 1 | 9.6272; 8.7501; 30.305 90; 90.34; 90 | 2552.8 | White, James D.; Wang, Guoqiang; Quaranta, Laura Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition. Organic letters, 2003, 5, 4983-4986 |
| 1507414 | CIF | C16 H22 O6 | P 1 21 1 | 9.4202; 6.8832; 12.5381 90; 101.54; 90 | 796.55 | White, James D.; Wang, Guoqiang; Quaranta, Laura Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition. Organic letters, 2003, 5, 4983-4986 |
| 1507415 | CIF | C15 H20 O5 | P 21 21 21 | 9.378; 10.968; 13.966 90; 90; 90 | 1436.5 | White, James D.; Wang, Guoqiang; Quaranta, Laura Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition. Organic letters, 2003, 5, 4983-4986 |
| 1507416 | CIF | C26 H42 O5 | P -1 | 6.6578; 13.1759; 14.5584 87.486; 84.603; 76.158 | 1234.21 | Hsu, Day-Shin; Liao, Chun-Chen Total syntheses of sesterpenic acids: refuted (+/-)-bilosespenes A and B. Organic letters, 2003, 5, 4741-4743 |
| 1508974 | CIF | Ag0.08 Ga0.08 S Zn0.84 | F -4 3 m | 5.428; 5.428; 5.428 90; 90; 90 | 159.926 | Miksovsky, M.A.; Robbins, M. Preparation of and phase relationships in systems of the type Zn S - M(I) M(III) S2 where M(I)= Cu, Ag and M(III)= In, Ga, Al Journal of Solid State Chemistry, 1972, 5, 462-466 |
| 1509114 | CIF | Ag0.08 Al0.08 S Zn0.84 | F -4 3 m | 5.42; 5.42; 5.42 90; 90; 90 | 159.22 | Robbins, M.; Miksovsky, M.A. Preparation of and phase relationships in systems of the type Zn S - M(I) M(II) S2 where M(I)= Cu, Ag and M(III)= In, Ga, Al Journal of Solid State Chemistry, 1972, 5, 462-466 |
| 1509130 | CIF | Ag0.5 Cu1.5 In2 Te4 | I -4 2 d | 6.271; 6.271; 12.5024 90; 90; 90 | 491.662 | Krishna Rao, D.; Kasiviswanathan, S.; Gopalam, B.S.V. Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2 Journal of Materials Science, 1986, 5, 912-914 |
| 1509155 | CIF | Ag Br13 Mo6 | P -1 | 9.183; 9.392; 14.328 95.85; 102.04; 114.3 | 1076.77 | Wang, P.; Zheng, Y.-Q.; Xu, W. New catenary octahedro-hexamolybdenum cluster bromides: crystal structures of A Mo6 Br13 with A = Na, Ag Solid State Sciences, 2003, 5, 573-578 |
| 1509338 | CIF | Ag Fe Te2 | P -3 m 1 | 7.6; 7.6; 5.69 90; 90; 120 | 284.623 | Zhukova, T.B.; Zaslavskii, A.I. The structure of Ag Fe Te2 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1964, 5, 246-249 |
| 1509412 | CIF | Ag In Te2 | I -4 2 d | 6.4672; 6.4672; 12.6331 90; 90; 90 | 528.375 | Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S. Preparation and charecterization of the pseudobinary system Cu1-x Agx In Te2 Journal of Materials Science. Letters, 1986, 5, 912-914 |
| 1509597 | CIF | Ag1.5 Cu0.5 In2 Te4 | I -4 2 d | 6.3879; 6.3879; 12.5969 90; 90; 90 | 514.02 | Gopalam, B.S.V.; Krishna Rao, D.; Kasiviswanathan, S. Preparation and characterization of the pseudobinary system Cu1-x Agx In Te2 Journal of Materials Science, 1986, 5, 912-914 |
| 1509664 | CIF | Ag2 B8 O13 | P 1 21/c 1 | 11.936; 7.801; 10.558 90; 99.846; 90 | 968.604 | Nowogrocki, G.; Penin, N.; Touboul, M. Crystal structure of the second form of silver octoborate beta-(Ag2 B8 O13) Solid State Sciences, 2003, 5, 559-564 |
| 1509685 | CIF | Ag2 O10 U W2 | P n m a | 8.6415; 7.561; 12.4513 90; 90; 90 | 813.548 | Krivovichev, S.V.; Burns, P.C. A novel rigid uranyl tungstate sheet in the structures of Na2 ((U O2) W2 O8) and alpha- and beta-(Ag2 ((U O2) W2 O8)) Solid State Sciences, 2003, 5, 373-381 |
| 1509686 | CIF | Ag2 O10 U W2 | P 1 21/c 1 | 8.4263; 7.4897; 12.927 90; 95.443; 90 | 812.15 | Krivovichev, S.V.; Burns, P.C. A novel rigid uranyl tungstate sheet in the structures of Na2 ((U O2) W2 O8) and alpha- and beta-(Ag2 ((U O2) W2 O8)) Solid State Sciences, 2003, 5, 373-381 |
| 1509710 | CIF | Ag2 S | P 1 21/c 1 | 4.231; 6.93; 9.526 90; 129.48; 90 | 215.585 | Sadanaga, R.; Sueno, S. X-ray study on the alpha - beta transition of Ag2 O Mineralogical Journal (Japan), 1967, 5, 124-148 |
| 1509749 | CIF | Ag2.88 I S | I m -3 m | 4.993; 4.993; 4.993 90; 90; 90 | 124.476 | Beyeler, H.U.; Perenthaler, E.; Schulz, H. Structure investigations, atomic potentials, and phase transitions of the fast ionic conductor Ag3 S I Solid State Ionics, 1981, 5, 493-496 |
| 1509786 | CIF | Ag2 Cu2 O4 | C 1 2/m 1 | 6.054; 2.7997; 5.851 90; 107.922; 90 | 94.359 | Casan-Pastor, N.; Fraxedas, J.; Gomez-Romero, P.; Oro, J.; Munoz-Rojas, D. Structural study of electrochemically-synthesized Ag2 Cu2 O4. A novel oxide sensitive to irradiation Crystal Engineering, 2002, 5, 459-467 |
| 1509899 | CIF | Ag4.68 Al12 Cs7.32 O48 Si12 | P m -3 m | 12.282; 12.282; 12.282 90; 90; 90 | 1852.71 | Kim, Y.; Seff, K. Crystal structure of dehydrated cesium and silver exchanged zeoliteA, Cs7.3 Ag4.7 - A Bulletin of the Korean Chemical Society, 1984, 5, 117-121 |
| 1510010 | CIF | Ag3 I S | P m -3 m | 4.89; 4.89; 4.89 90; 90; 90 | 116.93 | Perenthaler, E.; Beyeler, H.U.; Schulz, H. Structure investigations, atomic potentials, and phase transitions of the fast ionic conductor Ag3 S I Solid State Ionics, 1981, 5, 493-496 |
| 1510040 | CIF | Ag3 Sb | P m m 2 | 4.813; 2.979; 5.215 90; 90; 90 | 74.772 | Pinsker, Z.G.; Li Hseng-Chung An electron diffraction study of the Ag-Sb system in thin films Kristallografiya, 1960, 5, 228-232 |
| 1510113 | CIF | Au Cu | P 4/m m m | 3.975; 3.975; 3.685 90; 90; 90 | 58.225 | Johansson, C.H.; Linde, J.O. Roentgenographische und elektrische Untersuchungen des Cu Au-Systems Annalen der Physik, 1936, 5, 1-48 |
| 1510341 | CIF | Au1.334 Cd0.666 | P 63/m m c | 2.9182; 2.9182; 4.8033 90; 90; 120 | 35.424 | Massalski, T.B. The lattice spacings of close-packed hexagonal Au - In, Au - Cd, and Au - Hg alloys Acta Metallurgica, 1957, 5, 541-547 |
| 1510347 | CIF | Au1.6 In0.4 | P 63/m m c | 2.904; 2.904; 4.777 90; 90; 120 | 34.888 | Massalski, T.B. The lattice spacings of close-packed hexagonal Au - In, Au - Cd, and Au - Hg alloys Acta Metallurgica, 1957, 5, 541-547 |
| 1510683 | CIF | B2 Fe Mo2 | P 4/m b m | 5.807; 5.807; 3.142 90; 90; 90 | 105.952 | Gladyshevskii, E.I.; Hladyshevskii, E.I.; Skolozdra, R.V.; Fedorov, T.F.; Kuz'ma, Yu.B. Isothermal section of the molybdenum-iron-boron system Poroshkovaya Metallurgiya, 1966, 5, 305-309 |
| 1510780 | CIF | B2 Nb | P 6/m m m | 3.097; 3.097; 3.315 90; 90; 120 | 27.536 | Stadnyk, B.I.; Lakh, V.I.; Kuz'ma, Yu.B.; Voroshikov, Yu.V. X-ray diffraction study of the system Nb-W-B Soviet Powder Metallurgy and Metal Ceramics, 1966, 5, 491-493 |
| 1511056 | CIF | B Co W | P n m a | 5.745; 3.203; 6.652 90; 90; 90 | 122.405 | Kuz'ma, Yu.B.; Chepiga, M.V. X-ray investigation of the tungsten-iron-boron and tungsten-cobalt-boron systems Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1969, 5, 40-43 |
| 1511310 | CIF | B Re V | I 4/m c m | 5.397; 5.397; 4.537 90; 90; 90 | 132.152 | Kuz'ma, Yu.B.; Kovalyk, D.A. Vanadium-rhenium-boron system Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 1428-1431 |
| 1511421 | CIF | B18 Cs8 S18 | P -1 | 10.33; 10.369; 10.833 103.64; 91.91; 109.51 | 1054.89 | Krebs, B.; Hammerschmidt, A.; Kuchinke, J. Rb8 (B12 (B S3)6) and Cs8 (B12 (B S3)6): the first thioborato-closo-dodecaborates Solid State Sciences, 2003, 5, 189-196 |
| 1511430 | CIF | B18 Rb8 S18 | P -1 | 10.085; 10.036; 10.598 104.74; 91.56; 109.08 | 973.188 | Kuchinke, J.; Hammerschmidt, A.; Krebs, B. Rb8 (B12 (B S3)6) and Cs8 (B12 (B S3)6): the first thioborato-closo-dodecaborates Solid State Sciences, 2003, 5, 189-196 |
| 1511503 | CIF | B4 O7 Zn | C m c m | 10.85; 6.489; 5.173 90; 90; 90 | 364.208 | Huppertz, H.; Heymann, G. Multianvil high-pressure/high-temperature preparation, crystal structure, and properties of the new oxoborate beta-Zn B4 O7 Solid State Sciences, 2003, 5, 281-289 |
| 1511609 | CIF | B6 Fe23 | F m -3 m | 10.761; 10.761; 10.761 90; 90; 90 | 1246.11 | Idzikowski, B.; Szajek, A. Formation of the nanocrystalline cubic (Fe Ni)23 B6 phase in the nickel-rich Fe Ni Zr B alloys and its magnetic behaviour Journal of Optoelectronics and Advanced Materials, 2003, 5, 239-244 |
| 1511633 | CIF | B6 Ni23 | F m -3 m | 10.761; 10.761; 10.761 90; 90; 90 | 1246.11 | Idzikowski, B.; Szajek, A. Formation of the nanocrystalline cubic (Fe Ni)23 B6 phase in the nickel-rich Fe Ni Zr B alloys and its magnetic behaviour Journal of Optoelectronics and Advanced Materials, 2003, 5, 239-244 |
| 1511669 | CIF | B7 Cs3 O12 | C 1 2/c 1 | 59.911; 11.52; 34.525 90; 101.052; 90 | 23386.4 | Touboul, M.; Nowogrocki, G.; Penin, N. Crystal structure of Cs3 B7 O12 containing a new large polyanion with 63 boron atoms Solid State Sciences, 2003, 5, 795-803 |
| 1511698 | CIF | B8 Re4.8 V3.2 | I 41/a m d :1 | 3.023; 3.023; 16.42 90; 90; 90 | 150.055 | Kovalyk, D.A.; Kuz'ma, Yu.B. Vanadium-rhenium-boron system Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 1428-1431 |
| 1511736 | CIF | B4 Fe2 Mo | I m m m | 3.128; 12.7; 2.984 90; 90; 90 | 118.541 | Hladyshevskii, E.I.; Fedorov, T.F.; Gladyshevskii, E.I.; Skolozdra, R.V.; Kuz'ma, Yu.B. Isothermal section of the molybdenum-iron-boron system Poroshkovaya Metallurgiya, 1966, 5, 305-309 |
| 1511737 | CIF | B4 Fe2.5 W3.5 | P 4/m b m | 5.753; 5.753; 3.161 90; 90; 90 | 104.62 | Kuz'ma, Yu.B.; Chepiga, M.V. X-ray investigation of the tungsten-iron-boron and tungsten-cobalt-boron systems Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 40-43 |
| 1511742 | CIF | B4 Gd | P 4/m b m | 7.1316; 7.1316; 4.0505 90; 90; 90 | 206.007 | Guerin, R.; Wiff, J.P.; Saillard, J.Y.; Bauer, J.; Garland, M.T. The X-ray and electronic structures of Gd B4 Solid State Sciences, 2003, 5, 705-710 |
| 1513606 | CIF | C126 H84 La3 N3 O21 | P 65 | 34.2658; 34.2658; 21.8681 90; 90; 120 | 22236.3 | Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy Chemical Science, 2014, 5, 660 |
| 1513607 | CIF | C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 | P -1 | 11.6097; 13.0379; 17.3875 68.361; 72.03; 64.875 | 2178.5 | MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science, 2014, 5, 590 |
| 1513608 | CIF | C60 H54 B Ni P2 Si | P -1 | 12.1452; 20.3316; 21.4335 69.986; 77.017; 82.18 | 4835.7 | MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science, 2014, 5, 590 |
| 1513609 | CIF | C55.5 H45 B Ni O P2 | P 1 21/n 1 | 12.9166; 15.2418; 22.8933 90; 105.256; 90 | 4348.2 | MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science, 2014, 5, 590 |
| 1513610 | CIF | C67 H98 N12 S Si6 U2 | P 1 21/n 1 | 18.1014; 17.6622; 22.4297 90; 91.229; 90 | 7169.4 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513611 | CIF | C67 H98 N12 Se Si6 U2 | P 1 21/n 1 | 18.1375; 17.5716; 22.6446 90; 90.9355; 90 | 7216 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513612 | CIF | C35.25 H51 N6 S2 Si3 U | P 1 21/n 1 | 22.725; 19.812; 30.101 90; 145.19; 90 | 7736 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513613 | CIF | C60 H90 N12 S2 Si6 U2 | P 1 21/n 1 | 14.1895; 12.4113; 20.2745 90; 108.259; 90 | 3390.8 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513614 | CIF | C30 H45 N6 Na O Si3 U | P 1 21/n 1 | 10.5247; 18.506; 17.3041 90; 91.612; 90 | 3368.99 | Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science, 2014, 5, 841 |
| 1513615 | CIF | C22 H45 K Mg N2 | P 1 21 1 | 12.8807; 26.5173; 16.1073 90; 105.997; 90 | 5288.6 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513616 | CIF | C88 H180 K4 Mg4 N8 | C 1 c 1 | 25.779; 25.754; 16.135 90; 94.132; 90 | 10684 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513617 | CIF | C168 H342 K6 Mg6 N12 | R -3 :H | 37.852; 37.852; 11.585 90; 90; 120 | 14374.9 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513618 | CIF | C189 H282 K6 Mg6 N12 | R -3 :H | 37.8751; 37.8751; 11.7865 90; 90; 120 | 14642.8 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513619 | CIF | C62 H106 Mg2 N6 Na4 | P n a 21 | 16.9437; 16.1245; 23.5059 90; 90; 90 | 6422 | Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science, 2014, 5, 771 |
| 1513620 | CIF | C14 H18 N4 | P 1 21/c 1 | 6.9434; 18.717; 9.893 90; 95.19; 90 | 1280.4 | Huh, Chan Woo; Aubé, Jeffrey Aryl nitrenium ions from N-alkyl-N-arylamino-diazonium precursors: synthesis and reactivity Chemical Science, 2014, 5, 699 |
| 1513621 | CIF | C18 H31 B Cl2 N6 O3 P Rh | P 1 21/n 1 | 10.677; 12.392; 18.636 90; 90.104; 90 | 2465.7 | Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium Chemical Science, 2014, 5, 804 |
| 1513622 | CIF | C19 H34 B Cl N6 O3 P Rh | P 1 21/n 1 | 19.0753; 8.1941; 33.2922 90; 105.977; 90 | 5002.7 | Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium Chemical Science, 2014, 5, 804 |
| 1513623 | CIF | C32 H36 Cl2 N2 Th | P 1 21/n 1 | 10.165; 15.515; 18.2424 90; 91.134; 90 | 2876.44 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513624 | CIF | C32 H36 I2 N2 U | P 1 21/n 1 | 10.6471; 22.5946; 12.5757 90; 95.444; 90 | 3011.65 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513625 | CIF | C86 H114 Cl2 K2 N4 O4 Th2 | P 1 21/c 1 | 10.5523; 18.0034; 23.5696 90; 98.237; 90 | 4431.5 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513626 | CIF | C38 H52 K N3 Si2 Th | P 21 21 21 | 12.232; 12.893; 23.252 90; 90; 90 | 3667 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513627 | CIF | C42 H56 I N2 O2.5 U | P -1 | 10.112; 11.224; 18.141 99.53; 99.536; 108.352 | 1874.4 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513628 | CIF | C32 H36 I N2 U | C 1 2/c 1 | 56.62; 15.9509; 24.5801 90; 115.031; 90 | 20114.3 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513629 | CIF | C32 H36 I4 N2 U2 | P n m a | 31.0498; 11.5475; 10.1812 90; 90; 90 | 3650.44 | Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science, 2014, 5, 756 |
| 1513630 | CIF | C58 H40 B2 F12 N14 Rh2 | P -1 | 12.764; 13.196; 20.352 83.78; 72.12; 66.51 | 2991.7 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513631 | CIF | C66 H44 B2 F12 N14 Rh2 | P -1 | 13.104; 13.114; 22.82 73.63; 86.21; 66.42 | 3443.5 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513632 | CIF | C78 H54 B2 F12 N16 Rh2 | P 1 21/c 1 | 14.698; 26.636; 23.354 90; 123.59; 90 | 7616 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513633 | CIF | C68 H53 B2 F8 N13 Rh2 | C 1 2/c 1 | 50.745; 19.81; 13.614 90; 99.7; 90 | 13490 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513634 | CIF | C80 H63 B Cl F4 N15 Rh2 | P -1 | 10.056; 19.244; 19.431 97.18; 94.07; 102.62 | 3621.8 | Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science, 2014, 5, 727 |
| 1513635 | CIF | C15 H21 Co Li O6 | R -3 c :H | 16.272; 16.272; 10.968 90; 90; 120 | 2515 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513636 | CIF | C48 H78 Co2 Li2 O18 | P -1 | 11.333; 12.275; 12.46 104.286; 107.918; 110.038 | 1424.1 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513637 | CIF | C48 H78 Co2 Li2 O12 | P 1 21/n 1 | 12.815; 9.767; 21.674 90; 90.183; 90 | 2712.8 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513638 | CIF | C48 H78 Co3 O18 | P 1 21/n 1 | 9.7761; 16.9962; 17.5593 90; 100.919; 90 | 2864.8 | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science, 2014, 5, 813 |
| 1513639 | CIF | C52.5 H47 Cl N2 O6 | C 1 2/c 1 | 22.8894; 12.5211; 15.4873 90; 90.723; 90 | 4438.3 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513640 | CIF | C60 H62 N2 O6 | P n a 21 | 22.956; 9.4115; 22.7754 90; 90; 90 | 4920.6 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513641 | CIF | C61 H64 Cl2 N2 O6 | P 1 21/n 1 | 13.495; 14.896; 26.835 90; 99.08; 90 | 5326.8 | Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science, 2014, 5, 608 |
| 1513642 | CIF | C92 H84 Ag6 B6 Cl0 F24 N12 O24 | P -4 21 c | 22.7; 22.7; 24.198 90; 90; 90 | 12469 | Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun A controllable and dynamic assembly system based on discrete metallocages Chemical Science, 2014, 5, 483 |
| 1513643 | CIF | C92 H84 Ag6 N12 O24 | C 1 2/m 1 | 16.213; 23.949; 18.894 90; 105.065; 90 | 7084 | Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun A controllable and dynamic assembly system based on discrete metallocages Chemical Science, 2014, 5, 483 |
| 1513644 | CIF | C14 H14 B F5 N2 | P 21 21 21 | 6.4922; 12.393; 17.163 90; 90; 90 | 1380.9 | Choi, Sohee; Bouffard, Jean; Kim, Youngmi Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation Chemical Science, 2014, 5, 751 |
| 1513645 | CIF | C14 H17 B F2 N2 | P n m a | 11.3274; 7.1032; 16.0113 90; 90; 90 | 1288.3 | Choi, Sohee; Bouffard, Jean; Kim, Youngmi Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation Chemical Science, 2014, 5, 751 |
| 1513646 | CIF | C21 H22 Cl Cu N4 O10 Re | C 1 c 1 | 10.0183; 27.574; 9.4686 90; 95.291; 90 | 2604.5 | Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R. Modification of coordination networks through a photoinduced charge transfer process Chemical Science, 2014, 5, 539 |
| 1513647 | CIF | C30 H44 F6 Li2 N4 O2 | P 1 21/n 1 | 9.593; 11.372; 15.779 90; 106.11; 90 | 1653.8 | Salomone, Antonio; Perna, Filippo M.; Falcicchio, Aurelia; Nilsson Lill, Sten O.; Moliterni, Anna; Michel, Reent; Florio, Saverio; Stalke, Dietmar; Capriati, Vito Direct observation of a lithiated oxirane: a synergistic study using spectroscopic, crystallographic, and theoretical methods on the structure and stereodynamics of lithiated ortho-trifluoromethyl styrene oxide Chemical Science, 2014, 5, 528 |
| 1513648 | CIF | C34 H36 B F10 P | P -1 | 13.2615; 14.2777; 17.565 101.998; 96.776; 91.48 | 3226.1 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513649 | CIF | C34 H38 B F10 P | P 1 21/n 1 | 10.7438; 17.8343; 18.545 90; 106.201; 90 | 3412.26 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513650 | CIF | C39 H41 B F10 N P | P -1 | 10.8542; 13.8552; 14.0717 102.35; 96.684; 111.631 | 1876.71 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513651 | CIF | C22 H35 P | P b c a | 9.7184; 11.6807; 35.4816 90; 90; 90 | 4027.79 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513652 | CIF | C39 H41 B F10 N P | C 1 2/c 1 | 38.3733; 9.777; 22.7086 90; 117.195; 90 | 7577.9 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513653 | CIF | C41 H37 B Cl2 F15 P | P 1 21/n 1 | 15.4992; 17.104; 15.7066 90; 93.555; 90 | 4155.78 | Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science, 2014, 5, 797 |
| 1513654 | CIF | C46 H26 F15 Ge N5 O | P 21 21 21 | 8.9476; 15.748; 32.247 90; 90; 90 | 4543.8 | Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations Chemical Science, 2014, 5, 916 |
| 1513655 | CIF | C80 H32 F30 Ge2 N8 O2 | P -1 | 13.016; 15.843; 18.314 102.173; 103.316; 99.283 | 3503.9 | Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations Chemical Science, 2014, 5, 916 |
| 1513656 | CIF | C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 | I 4/m | 21.1256; 21.1256; 27.4118 90; 90; 90 | 12233.6 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
| 1513657 | CIF | C21 H18 Cl1.5 N1.5 O24 V6 | P 4/n :2 | 21.0482; 21.0482; 21.648 90; 90; 90 | 9590.6 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
| 1513658 | CIF | C83.5 H114.24 Ba2.5 Cl3 N12 O68.13 V12 | C 1 2/c 1 | 37.3416; 21.508; 36.8796 90; 109.771; 90 | 27873.6 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
| 1513659 | CIF | C72 H24 Cl6 O207.75 V30 | R -3 c :H | 34.773; 34.773; 39.676 90; 90; 120 | 41547 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
| 1513660 | CIF | C88 H56 Cl6 N8 O139 V26.2 | I 4/m | 21.1683; 21.1683; 27.3991 90; 90; 90 | 12277.5 | Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science, 2014, 5, 927 |
| 1513661 | CIF | C42 H45 Fe N3 | P -1 | 10.3857; 12.5498; 13.3966 80.96; 86.06; 89.464 | 1720.33 | Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science, 2014, 5, 1168 |
| 1513662 | CIF | C40 H41 Fe N3 | P 1 21/n 1 | 21.344; 14.623; 23.427 90; 116.242; 90 | 6558 | Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science, 2014, 5, 1168 |
| 1513663 | CIF | C96 H116 Fe2 N10 O | P 1 21 1 | 11.5779; 23.3582; 15.6591 90; 101.95; 90 | 4143.1 | Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science, 2014, 5, 1168 |
| 1513664 | CIF | C19 H37 F6 Fe N5 O7 S2 | P 1 21/c 1 | 14.6683; 28.684; 13.8712 90; 90.199; 90 | 5836.2 | England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1204-1215 |
| 1513665 | CIF | C19 H37 F6 Fe N5 O8 S2 | P 1 21/n 1 | 12.4264; 11.0862; 20.4399 90; 94.5; 90 | 2807.2 | England, Jason; Bigelow, Jennifer O; Van Heuvelen, Katherine M; Farquhar, Erik R; Martinho, Marléne; Meier, Katlyn K; Frisch, Jonathan R; Münck, Eckard; Que, Jr, Lawrence An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1204-1215 |
| 1513666 | CIF | C21 H17 N5 O3 | P 21 21 21 | 5.1209; 13.4823; 26.8004 90; 90; 90 | 1850.34 | Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines Chemical Science, 2014, 5, 1102 |
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