Crystallography Open Database
Search results
Result: there are 3138 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 | archive of CIF files (ZIP)
Searching volume of publication is 2
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000035 | CIF | Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 | C 1 2/c 1 | 9.699; 8.844; 5.272 90; 106.97; 90 | 432.5 | Clark, J R; Appleman, D E; Papike, J J Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements Mineralogical Society of America: Special Papers, 1969, 2, 31-50 |
| 1000285 | CIF | Bi2 Ca Cu2 O8 Sr2 | A m a a | 5.4054; 5.4016; 30.7152 90; 90; 90 | 896.8 | Hervieu, M; Michel, C; Domenges, B; Laligant, Y; Lebail, A; Ferey, G; Raveau, B Electron microscopy study of the superconductor "Bi~2~ Sr~2~ Ca Cu~2~ O~8~" Modern Physics Letters B, 1988, 2, 491-500 |
| 1000439 | CIF | F4 Fe Rb | P m a b | 7.6651; 7.6316; 6.2789 90; 90; 90 | 367.3 | Moron, M C; Bulou, A; Pique, C; Fourquet, J L Structural phase transitions in Rb Fe F4: I.Powder and single crystal X- ray diffraction study of the room temperature phase Journal of Physics: Condensed Matter, 1990, 2, 8269-8275 |
| 1000467 | CIF | Al F3 | R -3 c :H | 4.9305; 4.9305; 12.4462 90; 90; 120 | 262 | Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum Journal of Physics: Condensed Matter, 1990, 2, 5663-5677 |
| 1001420 | CIF | Ba2 Ca1.07 Cu2 O8 Tl1.93 | I 4/m m m | 3.86; 3.86; 29.388 90; 90; 90 | 437.9 | Maignan, A; Michel, C; Hervieu, M; Martin, C; Groult, D; Raveau, B Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity Modern Physics Letters B, 1988, 2, 681-687 |
| 1001508 | CIF | Ba4 Na2 Nb10 O30 | B b m 2 | 35.1869; 17.6202; 7.9876 90; 90; 90 | 4952.3 | Labbe, P; Leligny, H; Raveau, B; Schneck, J; Toledano, J C X-ray structural determination of the quasi-commensurate phase of barium sodium niobate Journal of Physics: Condensed Matter, 1989, 2, 25-43 |
| 1004010 | CIF | C6 H18 Al F5 N2 | P 1 21 1 | 7.898; 5.514; 12.672 90; 103.69; 90 | 536.182 | S.P.Thanh; J.Renaudin; V.Maisonneuve Solid State Sciences, 2000, 2, 143 |
| 1004098 | CIF | Cl6 H2 In K3 O | I 4 m m | 15.723; 15.723; 18.069 90; 90; 90 | 4466.9 | Wignacourt, J - P; Nowogrocki, G; Mairesse, G; Barbier, P Evidence for ionic isomerism in complex salts. X-ray evidence in K~3~InCl~6~.H~2~O Reviews in Inorganic Chemistry, 1980, 2, 207-217 |
| 1006028 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.4989; 8.4989; 5.7973 90; 90; 90 | 418.7 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1006029 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.4988; 8.4988; 5.7976 90; 90; 90 | 418.8 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1006030 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.4987; 8.4987; 5.7999 90; 90; 90 | 418.9 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1006031 | CIF | Bi2 Cu O4 | P 4/n c c :2 | 8.5039; 8.5039; 5.8202 90; 90; 90 | 420.9 | Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter, 1990, 2, 2205-2214 |
| 1007040 | CIF | Ho O14 P5 | C 1 2/c 1 | 12.881; 12.771; 12.424 90; 91.34; 90 | 2043.2 | Bagieu, M; Tordjman, I; Durif, A; Bassi, G Holmium ultraphosphate, Ho P~5~ O~14~ Crystal Structure Communications, 1973, 2, 387-390 |
| 1007056 | CIF | Cd3 H28 O32 P6 | P -3 | 12.228; 12.228; 5.451 90; 90; 120 | 705.9 | Averbuch-Pouchot, M T; Durif, A; Tordjman, I Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Crystal Structure Communications, 1973, 2, 89-90 |
| 1008610 | CIF | F2.05 Pb0.975 Th0.025 | F m -3 m | 5.9454; 5.9454; 5.9454 90; 90; 90 | 210.2 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008611 | CIF | F2.1 Pb0.95 Th0.05 | F m -3 m | 5.9465; 5.9465; 5.9465 90; 90; 90 | 210.3 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008612 | CIF | F2.2 Pb0.9 Th0.1 | F m -3 m | 5.9528; 5.9528; 5.9528 90; 90; 90 | 210.9 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008613 | CIF | F2.25 Pb0.875 Th0.125 | F m -3 m | 5.957; 5.957; 5.957 90; 90; 90 | 211.4 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008614 | CIF | F2.3 Pb0.85 Th0.15 | F m -3 m | 5.9581; 5.9581; 5.9581 90; 90; 90 | 211.5 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008615 | CIF | F2.4 Pb0.8 Th0.2 | F m -3 m | 5.9644; 5.9644; 5.9644 90; 90; 90 | 212.2 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008616 | CIF | F2.46 Pb0.77 Th0.23 | F m -3 m | 5.9687; 5.9687; 5.9687 90; 90; 90 | 212.6 | Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffracton de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics, 1981, 2, 215-229 |
| 1008794 | CIF | Co F6 Zr | R -3 :H | 5.466; 5.466; 13.982 90; 90; 120 | 361.8 | Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study Journal of Physics: Condensed Matter, 1990, 2, 7373-7386 |
| 1008795 | CIF | Co F6 Zr | F m -3 m | 7.989; 7.989; 7.989 90; 90; 90 | 509.9 | Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study Journal of Physics: Condensed Matter, 1990, 2, 7373-7386 |
| 1008939 | CIF | Fe Nd O4 Sr | I 4/m m m | 3.846; 3.846; 12.594 90; 90; 90 | 186.3 | Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4 Journal of Solid State Chemistry, 1970, 2, 343-346 |
| 1008940 | CIF | Fe Nd O4 Sr | I 4/m m m | 3.846; 3.846; 12.594 90; 90; 90 | 186.3 | Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4 Journal of Solid State Chemistry, 1970, 2, 343-346 |
| 1009075 | CIF | O5 S2 Sm2 Ti2 | I 4/m m m | 3.819; 3.819; 22.96399 90; 90; 90 | 334.9 | Boyer, C; Deudon, C; Meerschaut, A Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound C. R. Acad. Sci. Paris, T. 1, Serie II, 1999, 2, 93-99 |
| 1010304 | CIF | H6 N O2 P | A b m m | 3.98; 7.57; 11.47 90; 90; 90 | 345.6 | Zachariasen, W H; Mooney, R C L The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite Journal of Chemical Physics, 1934, 2, 34-37 |
| 1010322 | CIF | Ag0.5 Au0.5 Cl3 Cs | P -4 3 m | 5.33; 5.33; 5.33 90; 90; 90 | 151.4 | Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics, 1934, 2, 419-421 |
| 1010323 | CIF | Au Cl3 Cs | P -4 3 m | 5.33; 5.33; 5.33 90; 90; 90 | 151.4 | Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics, 1934, 2, 419-421 |
| 1100033 | CIF | N Ti | F m -3 m | 4.242; 4.242; 4.242 90; 90; 90 | 76.3 | Ehrlich, P; Juza, R Fiat Review of German Science, 1948, 2, 64-64 |
| 1100427 | CIF | C48 H108 Li12 O24 | R -3 :H | 20.799; 20.799; 14.501 90; 90; 120 | 5432.67 | Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael [Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid Chemistry - A European Journal, 1996, 2, 604-607 |
| 1101045 | CIF | N Ti | F m -3 m | 4.244; 4.244; 4.244 90; 90; 90 | 76.4 | Ehrlich, P; Juza, R Review of German Science, 1939-1946, Inorganic Chemistry. Fiat Review of German Science, 1948, 2, 64-64 |
| 1507213 | CIF | C48 H96 Al21 Na21 O216 Si75 | P 63/m m c | 17.215; 17.215; 28.082 90; 90; 120 | 7207.3 | Baerlocher, Ch.; McCusker, L.B.; Chiappetta, R. Location of the 18-crown-6 template in EMC-2 (EMT). Rietveld refinement of the calcined ans as-synthesized forms Microporous Materials, 1994, 2, 269-280 |
| 1507546 | CIF | C17 H21 N O4 | P 1 21 1 | 11.335; 5.24; 13.442 90; 104.1; 90 | 774.3 | McAuley, Barry J.; Nieuwenhuyzen, Mark; Sheldrake, Gary N. An Unusual Samarium Diiodide Mediated Reductive Ring Contraction of a Tricyclic Oxazine to a Highly-Functionalized Cyclopentane and Cyclobutane Organic Letters, 2000, 2, 1457 |
| 1507547 | CIF | C5 H7 N O3 | C 1 2 1 | 18.672; 9.6069; 6.5761 90; 97.519; 90 | 1169.48 | Cheng, Jianjun; Ziller, Joseph W.; Deming, Timothy J. Synthesis of Optically Active β-Amino AcidN-Carboxyanhydrides Organic Letters, 2000, 2, 1943 |
| 1507548 | CIF | C17 H27 N O3 | P -1 | 7.295; 10.9; 11.366 76.21; 88.53; 76.68 | 853.7 | Deiters, Alexander; Mück-Lichtenfeld, Christian; Fröhlich, Roland; Hoppe, Dieter Asymmetric Synthesis of a (2Z,7E)-Cyclononadiene by an Intramolecular Cycloalkylation and Insight to Its Conformational Properties Organic Letters, 2000, 2, 2415 |
| 1507549 | CIF | C80 H100 F12 N4 O20 P2 | P 1 21 1 | 12.044; 25.471; 14.6318 90; 113.524; 90 | 4115.6 | Chang, Theresa; Heiss, Aaron M.; Cantrill, Stuart J.; Fyfe, Matthew C. T.; Pease, Anthony R.; Rowan, Stuart J.; Stoddart, J. Fraser; Williams, David J. Toward Interlocked Molecules beyond Catenanes and Rotaxanes Organic Letters, 2000, 2, 2943 |
| 1507550 | CIF | C19 H20 N2 O S2 | C 1 2/c 1 | 27.3; 9.301; 17.584 90; 129.37; 90 | 3452 | Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T. A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes Organic Letters, 2000, 2, 3785 |
| 1507551 | CIF | C19 H20 N2 O | P 21 21 21 | 7.5911; 13.9115; 14.3428 90; 90; 90 | 1514.7 | Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T. A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes Organic Letters, 2000, 2, 3785 |
| 1507552 | CIF | C10 H14 O3 | C 1 2/c 1 | 24.808; 5.9534; 13.2719 90; 96.887; 90 | 1946 | Paczkowski, Ralph; Maichle-Mössmer, Cäcilia; Maier, Martin E. A Formal Total Synthesis of Dysidiolide Organic Letters, 2000, 2, 3967 |
| 1507553 | CIF | C15 H15 N2 O4 | P 1 21/n 1 | 16.744; 4.719; 19.995 90; 102.7; 90 | 1541.25 | Gunda, Tamas E. Rearrangement and Degradation of Cephalosporins and Penicillins in the Presence of Mercury(II) Trifluoroacetate Organic Letters, 2000, 2, 103 |
| 1507554 | CIF | C22 H23 N O4 | P 32 | 11.144; 11.144; 27.418 90; 90; 120 | 2948.8 | Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes Organic Letters, 2000, 2, 585 |
| 1507756 | CIF | Ba O3 Ti | P 4 m m | 3.9999; 3.9999; 4.017 90; 90; 90 | 64.269 | Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1507757 | CIF | Ba O3 Ti | P m -3 m | 4.0073; 4.0073; 4.0073 90; 90; 90 | 64.351 | Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1508004 | CIF | C40 H60 Hf2 N2 Si2 | P 1 21/n 1 | 11.2764; 26.267; 13.5398 90; 96.524; 90 | 3984.5 | Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry, 2010, 2, 30-35 |
| 1508005 | CIF | C42 H60 Hf2 N2 O2 Si2 | P -1 | 8.7137; 13.6257; 17.4952 96.123; 92.498; 95.596 | 2052.5 | Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry, 2010, 2, 30-35 |
| 1508006 | CIF | C41 H60 Hf2 N2 O Si2 | P -1 | 10.7033; 13.8345; 14.9713 91.954; 104.98; 109.366 | 2002.83 | Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry, 2010, 2, 30-35 |
| 1508007 | CIF | C17 H26 O | P 21 21 21 | 6.5955; 7.882; 29.1769 90; 90; 90 | 1516.78 | Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry, 2010, 2, 125-130 |
| 1508008 | CIF | C15 H20 O2 | C 1 2/c 1 | 15.7972; 6.3827; 26.214 90; 96.5673; 90 | 2625.78 | Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry, 2010, 2, 125-130 |
| 1508009 | CIF | C34 H52 O | P 1 21 1 | 16.2591; 9.4526; 18.8939 90; 95.508; 90 | 2890.41 | Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry, 2010, 2, 125-130 |
| 1508010 | CIF | C56 H48 F24 N2 O4 Si2 | C 1 2/c 1 | 17.113; 16.1501; 20.618 90; 107.588; 90 | 5432 | Kano, Naokazu; Miyake, Hideaki; Sasaki, Keishi; Kawashima, Takayuki; Mizorogi, Naomi; Nagase, Shigeru Dianionic species with a bond consisting of two pentacoordinated silicon atoms. Nature chemistry, 2010, 2, 112-116 |
| 1508011 | CIF | C21 H24 N2 O | P 21 21 21 | 10.2994; 12.6537; 13.9603 90; 90; 90 | 1819.38 | Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M. A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres. Nature chemistry, 2010, 2, 192-196 |
| 1508012 | CIF | C21 H24 N2 O | P 1 21 1 | 6.7294; 15.7191; 17.4651 90; 98.474; 90 | 1827.29 | Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M. A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres. Nature chemistry, 2010, 2, 192-196 |
| 1508013 | CIF | C4 H16 Ga2 N2 O S7 Sb2 | P 1 21 1 | 9.1374; 10.0229; 11.704 90; 106.312; 90 | 1028.7 | Ding, Nan; Kanatzidis, Mercouri G. Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide. Nature chemistry, 2010, 2, 187-191 |
| 1508014 | CIF | Cs2 Ga2 S7 Sb2 | C 1 2 1 | 15.591; 9.1815; 12.575 90; 114.26; 90 | 1641.1 | Ding, Nan; Kanatzidis, Mercouri G. Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide. Nature chemistry, 2010, 2, 187-191 |
| 1508015 | CIF | C54 Cl8 | C 1 2/c 1 | 18.57; 10.7448; 16.801 90; 110.877; 90 | 3132.2 | Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry, 2010, 2, 269-273 |
| 1508016 | CIF | C59.5 H4 Cl12 | P 1 21/c 1 | 17.919; 36.241; 12.291 90; 90.174; 90 | 7982 | Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry, 2010, 2, 269-273 |
| 1508017 | CIF | C66 Cl6 | P 1 21/n 1 | 10.812; 19.202; 17.156 90; 105.162; 90 | 3437.8 | Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry, 2010, 2, 269-273 |
| 1508018 | CIF | C285 H23 Cl40 | P -1 | 12.3298; 18.7616; 19.4956 96.637; 100.007; 100.282 | 4319.6 | Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry, 2010, 2, 269-273 |
| 1508019 | CIF | C29 H25 N5 | A b a 2 | 17.919; 15.19; 8.255 90; 90; 90 | 2246.9 | Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry, 2010, 2, 362-368 |
| 1508020 | CIF | C31 H28 F12 N6 O0 P2 V | P -1 | 11.55; 12.579; 13.191 110.056; 108.607; 90.638 | 1690.4 | Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry, 2010, 2, 362-368 |
| 1508021 | CIF | C75 H64 F18 N13 P3 V2 | P 1 21/n 1 | 21.554; 14.9192; 24.647 90; 115.805; 90 | 7135.4 | Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry, 2010, 2, 362-368 |
| 1508022 | CIF | C78 H79.5 F18 N15.5 O P3 V2 | P 1 21/c 1 | 13.8924; 38.601; 15.8142 90; 106.114; 90 | 8147.3 | Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry, 2010, 2, 362-368 |
| 1508023 | CIF | C81 H84 F24 N17 O P4 V2 | P c a 21 | 23.4395; 21.7426; 17.4435 90; 90; 90 | 8889.8 | Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry, 2010, 2, 362-368 |
| 1508024 | CIF | C42 H40 F24 N12 P4 | P -1 | 9.832; 10.944; 12.335 94.45; 97.04; 104.09 | 1269.6 | Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L. A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace. Nature chemistry, 2010, 2, 406-409 |
| 1508025 | CIF | C40 H37 F24 N11 P4 | P -1 | 12.2809; 14.7942; 15.6032 64.702; 86.784; 77.402 | 2499.1 | Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L. A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace. Nature chemistry, 2010, 2, 406-409 |
| 1508026 | CIF | C46 H47 F18 N10 O8 P3 | P -1 | 9.6484; 10.886; 12.208 107.06; 92.25; 93.86 | 1220.7 | Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L. A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace. Nature chemistry, 2010, 2, 406-409 |
| 1508027 | CIF | C36 H41 F3 O3 P2 Pd S | P -1 | 10.9546; 11.5774; 30.591 85.323; 81.59; 63.569 | 3436.2 | Wassenaar, Jeroen; Jansen, Eveline; van Zeist, Willem-Jan; Bickelhaupt, F. Matthias; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H. Catalyst selection based on intermediate stability measured by mass spectrometry. Nature chemistry, 2010, 2, 417-421 |
| 1508028 | CIF | C70 H70 B F20 N2 P2 | P 1 21/c 1 | 13.2289; 23.185; 23.482 90; 96.49; 90 | 7156.1 | Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature chemistry, 2010, 2, 369-373 |
| 1508029 | CIF | C84 H77 B F21 N4 P2 | P 1 21/n 1 | 12.4547; 39.76; 16.5856 90; 97.978; 90 | 8133.7 | Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature chemistry, 2010, 2, 369-373 |
| 1508030 | CIF | C28 H36 F3 N2 O3 P S | P -1 | 11.9641; 12.3049; 12.6616 88.469; 62.462; 63.204 | 1435.93 | Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature chemistry, 2010, 2, 369-373 |
| 1508031 | CIF | C40 H40 Ag26 N60 O80 P2 W24 | P n -3 m :2 | 19.3329; 19.3329; 19.3329 90; 90; 90 | 7225.9 | Kuang, Xiaofei; Wu, Xiaoyuan; Yu, Rongmin; Donahue, James P.; Huang, Jinshun; Lu, Can-Zhong Assembly of a metal-organic framework by sextuple intercatenation of discrete adamantane-like cages. Nature chemistry, 2010, 2, 461-465 |
| 1508032 | CIF | C24 N3 O40 P V2 W10 | P b c n | 15.5486; 21.1547; 23.1083 90; 90; 90 | 7600.92 | Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate. Nature chemistry, 2010, 2, 478-483 |
| 1508033 | CIF | C126 H140 B2 N3 O8 | P c c 2 | 15.13; 25.587; 31.3 90; 90; 90 | 12117 | Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting. Nature chemistry, 2010, 2, 444-449 |
| 1508034 | CIF | C126 H142 B2 N7 Na O8 | P 1 21/c 1 | 15.661; 27.148; 26.357 90; 95.726; 90 | 11150 | Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting. Nature chemistry, 2010, 2, 444-449 |
| 1508035 | CIF | C37 H57 F3 Fe N2 O3 P3 S Si | P 21 21 21 | 13.582; 14.3581; 20.6839 90; 90; 90 | 4033.6 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508036 | CIF | C98 H81 B F24 Fe N O3 P3 Si | P 1 n 1 | 13.2539; 16.3059; 21.3757 90; 90.561; 90 | 4619.43 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508037 | CIF | C68 H69 B F24 Fe N P3 Si | P 1 21 1 | 12.9134; 38.169; 14.466 90; 92.377; 90 | 7124 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508039 | CIF | C65 H62 F3 Fe N2 O4 P3 S Si | P 1 21/c 1 | 16.802; 14.061; 25.384 90; 104.615; 90 | 5803 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508040 | CIF | C78 H51 B F15 Fe N2 P3 Si | P 1 21/n 1 | 19.2563; 14.1012; 24.8052 90; 103.907; 90 | 6538.1 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508041 | CIF | C65 H83 B F15 Fe N2 P3 Si | P 1 21/c 1 | 14.1228; 21.6463; 21.0628 90; 95.819; 90 | 6405.9 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508042 | CIF | C60 H47 Fe N2 P3 Si | C 1 2/c 1 | 22.9376; 12.8125; 36.9247 90; 102.808; 90 | 10581.7 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508043 | CIF | C92 H59 B F24 Fe N2 P3 Si | P -1 | 12.6062; 17.7714; 20.2427 68.604; 81.731; 87.512 | 4178.33 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508044 | CIF | C39 H63 Fe N2 P3 Si2 | P 1 21/n 1 | 12.8552; 18.869; 17.1044 90; 92.116; 90 | 4146.1 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508045 | CIF | C60 H50 Fe P3 Si | P 1 21/c 1 | 12.9352; 17.4246; 19.4686 90; 98.894; 90 | 4335.3 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508046 | CIF | C37 H57 Fe P3 Si | P b c a | 16.0034; 17.018; 26.118 90; 90; 90 | 7113.1 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508047 | CIF | C68 H66 B F24 Fe N2 P3 Si | P b c a | 26.3222; 19.5893; 27.3174 90; 90; 90 | 14085.8 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508048 | CIF | C36 H54 Fe N2 P3 Si | P b c a | 16.085; 17.133; 25.58 90; 90; 90 | 7049 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508049 | CIF | C48 H78 Fe N2 Na O3 P3 Si | R 3 :H | 17.9312; 17.9312; 13.1252 90; 90; 120 | 3654.73 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508050 | CIF | C64 H110 Fe N2 Na O11 P3 Si | P 1 21/n 1 | 10.914; 27.66; 22.517 90; 90.607; 90 | 6797 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508051 | CIF | C86 H59 B F24 Fe N2 P3 Si | P -1 | 21.1566; 21.4783; 22.3299 105.835; 115.183; 104.537 | 8010.2 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508052 | CIF | C55 H48 F3 Fe N2 O3 P2 S Si | P -1 | 13.7155; 18.226; 21.536 95.141; 94.656; 95.372 | 5316.5 | Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry, 2010, 2, 558-565 |
| 1508053 | CIF | C40 H60 N4 O2 Si | P 1 21/n 1 | 13.1928; 20.6445; 15.0686 90; 105.754; 90 | 3949.9 | Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. Nature chemistry, 2010, 2, 577-580 |
| 1508054 | CIF | C39.5 H56 N4 O2 Si | P 1 21/n 1 | 17.0069; 13.0836; 18.0462 90; 108.997; 90 | 3796.8 | Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. Nature chemistry, 2010, 2, 577-580 |
| 1508055 | CIF | C40 H60 N4 O2 Si | P 1 21/n 1 | 12.1047; 16.482; 19.5115 90; 94.666; 90 | 3879.8 | Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. Nature chemistry, 2010, 2, 577-580 |
| 1508056 | CIF | C36 H72 Mn2 N4 Na2 O | P 1 21/n 1 | 11.985; 11.542; 15.364 90; 107.15; 90 | 2030.8 | Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran. Nature chemistry, 2010, 2, 588-591 |
| 1508057 | CIF | C52 H108 Mg2 N8 Na2 | P 1 21/n 1 | 8.2736; 21.4955; 16.5688 90; 90.708; 90 | 2946.46 | Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran. Nature chemistry, 2010, 2, 588-591 |
| 1508058 | CIF | C52.4 H108 Mn2 N8 Na2 | P 1 21/n 1 | 8.2875; 21.6756; 16.5068 90; 90.465; 90 | 2965.1 | Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran. Nature chemistry, 2010, 2, 588-591 |
| 1508059 | CIF | C21 H20 Cl Mn N4 O9 Re | P n n a | 9.489; 26.246; 9.898 90; 90; 90 | 2465.1 | Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry, 2010, 2, 688-694 |
| 1508060 | CIF | C21 H20 Cl Mn2 N4 O9 | P n n a | 9.281; 25.932; 9.709 90; 90; 90 | 2336.7 | Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry, 2010, 2, 688-694 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!