Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1000043 | CIF | Ca F2 | F m -3 m | 5.462; 5.462; 5.462 90; 90; 90 | 163 | Cheetham, A K; Fender, B E F; Cooper, M J Defect structure of calcium fluoride containing excess anions: I. Bragg scattering Journal of Physics C, 1971, 4, 3107-3121 |
1000284 | CIF | Ba2 Cu O8 Pt Y2 | P n m a | 13.207; 5.68; 10.321 90; 90; 90 | 774.2 | Laligant, Y; Ferey, G; Hervieu, M; Raveau, B Synthesis and Single-Crystal Refinement of Ba~2~ Y~2~ Cu Pt O~8~ Europhysics Letters, 1987, 4, 1023-1029 |
1001053 | CIF | Cr O6 Ta2 | P 1 21/c 1 | 4.74; 4.75; 9.305 90; 90.95; 90 | 209.5 | Massard, P; Bernier, J C; Michel, A Effet Jahn-Teller dans le Systeme Ta~2~ Cr O~6~ - Ta Cr O~4~ Journal of Solid State Chemistry, 1972, 4, 269-274 |
1001074 | CIF | Ge3 K O9 Ta | P -6 c 2 | 6.972; 6.972; 10.144 90; 90; 120 | 427 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001075 | CIF | Ge3 O9 Rb Ta | P -6 c 2 | 7.041; 7.041; 10.116 90; 90; 120 | 434.3 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux qermanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001076 | CIF | Ge3 Nb O9 Rb | P -6 c 2 | 7.038; 7.038; 10.132 90; 90; 120 | 434.6 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001077 | CIF | Ge3 O9 Ta Tl | P -6 c 2 | 7.036; 7.036; 10.124 90; 90; 120 | 434 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001078 | CIF | Ba Ge3 O9 Sn | P -6 c 2 | 6.894; 6.894; 10.233 90; 90; 120 | 421.2 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1001597 | CIF | C Cu2 O10 Pb0.5 Sr4 Tl0.5 | P 4/m m m | 3.8244; 3.8244; 16.51599 90; 90; 90 | 241.6 | Hervieu, M; Michel, C; Huve, M; Martin, C; Maignan, A; Raveau, B High resolution electron microscopy study of the high T~c~ superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~ Microscopy, Microanalysis, Microstructures, 1993, 4, 41-50 |
1001669 | CIF | Hg O14 P4 V2 | P -1 | 4.848; 6.892; 8.077 92.65; 93.26; 106.23 | 258.2 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
1001670 | CIF | O14 P4 Pb V2 | P -1 | 4.804; 7.113; 7.898 89.78; 92.62; 106.1 | 259 | Boudin, S; Grandin, A; Leclaire, A; Borel, M M; Raveau, B Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead phases Journal of Materials Chemistry, 1994, 4, 1889-1892 |
1001671 | CIF | Cu Nd2 O3.5 | I m m m | 4.237; 3.7675; 11.917 90; 90; 90 | 190.2 | Choisnet, J; Mouron, M; Crespin, M; van Aken, P A; Mueller, W F Perovskite-like intergrowth structure of the reduced cuprate Nd2 Cu O3.5: a combination of defect and excess oxygen non-stoichiometry phenomena Journal of Materials Chemistry, 1994, 4, 895-898 |
1001773 | CIF | Ba O9 Si3 Sn | P -6 c 2 | 6.728; 6.728; 9.838 90; 90; 120 | 385.7 | Choisnet, J; Deschanvres, A; Raveau, B Sur de nouveaux germanates et silicates de type benitoite Journal of Solid State Chemistry, 1972, 4, 209-218 |
1004031 | CIF | C5 H18 N2 O9 P2 Zn | C 1 2/c 1 | 13.917; 9.091; 20.489 90; 102.36; 90 | 2532.2 | Fleith, S.; Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the one-dimensional zincophosphate Mu-22 : [Zn(HPO4)2]8[C5H13N2]88H2O Solid State Sciences, 2002, 4, 135-141 |
1004109 | CIF | Ni3 O9 Sr4 | P 3 2 1 | 9.477; 9.477; 7.825 90; 90; 120 | 608.6 | Abraham, F; Minaud, S; Renard, C Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual formula of the so-called Sr5 Ni4 O11 Journal of Materials Chemistry, 1994, 4, 1763-1764 |
1005011 | CIF | Li Mo N2 | R 3 :H | 2.8674; 2.8674; 15.801 90; 90; 120 | 112.5 | Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M LiMoN~2~: the first metallic layered nitride Chemistry of Materials (1,1989-, 1992, 4, 928-937 |
1008282 | CIF | Mg2 O4 Pt | F d -3 m :1 | 8.521; 8.521; 8.521 90; 90; 90 | 618.7 | Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin, 1969, 4, 39-44 |
1008283 | CIF | O4 Pt Zn2 | F d -3 m :1 | 8.549; 8.549; 8.549 90; 90; 90 | 624.8 | Muller, O; Roy, R Synthesis and crystal structure of Mg~2~ Pt O~4~ and Zn~2~ Pt O~4~ Materials Research Bulletin, 1969, 4, 39-44 |
1008499 | CIF | C1.5 Fe11 Th | I 41/a m d :2 | 10.203; 10.203; 6.611 90; 90; 90 | 688.2 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008500 | CIF | C2 Fe11 Th | I 41/a m d :2 | 10.249; 10.249; 6.649 90; 90; 90 | 698.4 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008501 | CIF | C1.35 Fe11 Th | I 41/a m d :2 | 10.191; 10.191; 6.609 90; 90; 90 | 686.4 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008502 | CIF | C1.5 Fe11 Th | I 41/a m d :2 | 10.19; 10.19; 6.592 90; 90; 90 | 684.5 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008503 | CIF | C2 Fe11 Th | I 41/a m d :2 | 10.262; 10.262; 6.656 90; 90; 90 | 700.9 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008504 | CIF | C1.35 Fe11 Th | I 41/a m d :2 | 10.174; 10.174; 6.581 90; 90; 90 | 681.2 | Isnard, O; Soubeyroux, J L; Fruchart, D; Jacobs, T H; Buschow, K H J Magnetic characterization and structural study of new ternary carbides: ThFe~11~C~x~(1.5<= x<= 2) Journal of Physics: Condensed Matter, 1992, 4, 6367-6374 |
1008978 | CIF | As Cr Ni | P -6 2 m | 6.102; 6.102; 3.654 90; 90; 120 | 117.8 | Nylund, M A; Roger, A; Senateur, J P; Fruchart, R Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx) Journal of Solid State Chemistry, 1972, 4, 115-122 |
1008979 | CIF | As Cr Pd | P -6 2 m | 6.51; 6.51; 3.685 90; 90; 120 | 135.2 | Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
1008980 | CIF | As Cr Rh | P -6 2 m | 6.384; 6.384; 3.718 90; 90; 120 | 131.2 | Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
1008987 | CIF | As Mn Ru | P -6 2 m | 6.5155; 6.5155; 3.614 90; 90; 120 | 132.9 | Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS Annales de Chimie (Paris) (Vol=Year), 1979, 4, 411-417 |
1009058 | CIF | B2 Mo | P 6/m m m | 3.05; 3.05; 3.113 90; 90; 120 | 25.1 | Bertaut, E. F.; Blum, P. Existence et structure d'une nouvelle phase dans le systeme Mo-B Acta Crystallographica, 1951, 4, 72-72 |
1010041 | CIF | Pt Sb | P 63/m m c | 4.13; 4.13; 5.472 90; 90; 120 | 80.8 | Thomassen, L Ueber Kristallstrukturen einiqer binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
1010324 | CIF | Ag3 O4 P | P -4 3 n | 5.995; 5.995; 5.995 90; 90; 90 | 215.5 | Helmholz, L The Crystal Structure of Silver Phosphate Journal of Chemical Physics, 1936, 4, 316-322 |
1010439 | CIF | H2 O | 4.74; 4.74; 6.65 90; 90; 120 | 129.4 | John, A S The Crystal Structure of Ice Proceedings of the National Academy of Sciences, U.S.A., 1918, 4, 193-197 | |
1010519 | CIF | Po | C 1 2 1 | 7.42; 4.29; 14.1 90; 92; 90 | 448.6 | Rollier, M A; Hendricks, S B; Maxwell, L R The Crystal Structure of Polonium by Electron Diffraction Journal of Chemical Physics, 1936, 4, 648-652 |
1010520 | CIF | Ge S2 | F d d 2 | 11.66; 22.34; 6.86 90; 90; 90 | 1786.9 | Zachariasen, W H The Crystal Structure of Germanium Disulphide Journal of Chemical Physics, 1936, 4, 618-619 |
1010788 | CIF | Cl2 Mn | 2.34; 2.34; 2.34 91.5; 91.5; 91.5 | 12.8 | Bruni, G; Ferrari, A Sulla struttura cristallina di alcuni cloruri bivalenti Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945), 1926, 4, 10-13 | |
1010798 | CIF | C4 H8 Ba N4 O4 Pd | C 1 2/c 1 | 11.95; 13.82; 6.71 90; 103.63; 90 | 1076.9 | de Rassenfosse, A; Pierard, J Etude cristallographique du palladocyanure de baryum. Ba Pd (C N)~4~ (H~2~ O)~4~. Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 74-79 |
1010800 | CIF | Ca H10 N4 O5 Pt | 17.08; 18.98; 6.64 90; 90; 90 | 2152.5 | Brasseur, H; de Rassenfosse, A Etude cristallopraphique du platinocyanure de calcium hydrate. Bulletin de la Societe Royal des Sciences de Liege, 1935, 4, 24-33 | |
1010845 | CIF | K2 O4 | I 4/m m m | 5.7; 5.7; 6.72 90; 90; 90 | 218.3 | Kassatochkin, W; Kotow, W Structure of Potassium Tetroxide Journal of Chemical Physics, 1936, 4, 458-458 |
1010848 | CIF | O6 S3 Tl2 | C 1 2/c 1 | 13.2; 7.45; 7.58 90; 91; 90 | 745.3 | Ketelaar, J A A; Sanders, J K The Crystal Structure of Thallium Trithionate, Tl~2~ S~3~ O~6~ Journal of Chemical Physics, 1936, 4, 621-621 |
1010918 | CIF | Ca H O4.5 S | P 32 2 1 S | 6.86; 6.86; 12.7 90; 90; 120 | 517.6 | Gallitelli, P Ricerche sul solfato di calcio semidrato e sull'anidrite solubile Periodico di Mineralogia, 1933, 4, 132-171 |
1011024 | CIF | H2 O | I b a m (a,b,c+1/4) | 10.2; 5.87; 7.17 90; 90; 90 | 429.3 | McFarlan, R L The Structure of Ice III Journal of Chemical Physics, 1936, 4, 253-259 |
1011063 | CIF | H2 O | C 2 2 21 | 7.8; 4.5; 5.56 90; 90; 90 | 195.2 | McFarlan, Ronald L. The Structure of Ice II The Journal of Chemical Physics, 1936, 4, 60-64 |
1011101 | CIF | N Ti | F m -3 m | 4.32; 4.32; 4.32 90; 90; 90 | 80.6 | van Arkel, A E An X-ray examination of titanium nitride. I Physica (Amsterdam) (1,1921-13,1933), 1924, 4, 286-301 |
1011115 | CIF | C2 H10 N2 O5 | P 21 21 2 | 8.04; 10.27; 3.82 90; 90; 90 | 315.4 | Hendriks, S B; Jefferson, M E Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group Journal of Chemical Physics, 1936, 4, 102-107 |
1011161 | CIF | Ag3 As S3 | R 3 c :H | 10.74; 10.74; 8.64 90; 90; 120 | 863.1 | Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics, 1936, 4, 381-390 |
1011162 | CIF | Ag3 S3 Sb | R 3 c :H | 11.04; 11.04; 8.71 90; 90; 120 | 919.4 | Harker, D The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3 Journal of Chemical Physics, 1936, 4, 381-390 |
1011348 | CIF | As2 Pd | P a -3 | 5.982; 5.982; 5.982 90; 90; 90 | 214.1 | Thomassen, L Ueber Kristallstrukturen einiger binaerer Verbindungen der Platinmetalle II Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 4, 277-287 |
1100115 | CIF | C8 H22 Al F5 N2 | P 1 21 1 | 7.887; 5.502; 15.812 90; 112.03; 90 | 636.053 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100116 | CIF | C10 H26 Al F5 N2 | P 1 21 1 | 7.881; 5.489; 18.36 90; 112.21; 90 | 735.303 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100117 | CIF | C12 H30 Al F5 N2 | P 1 21 1 | 7.8713; 5.4739; 20.898 90; 112.422; 90 | 832.354 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
1100120 | CIF | C2 Ba2 Co F2 O6 | P b c a | 6.6226; 11.494; 9.021 90; 90; 90 | 686.68 | Ben Ali, A.; Maisonneuve, V.; Kodjikian, S.; Smiri, L. S.; Leblanc, M. Synthesis, crystal structure and magnetic properties of a new fluoride carbonate Ba~2~Co(CO~3~)~2~F~2~ Solid State Sciences, 2002, 4, 503-506 |
1100121 | CIF | C Ba F2 Mn O3 | P 63/m | 4.912; 4.912; 9.919 90; 90; 120 | 207.26 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
1100122 | CIF | C Ba F2 O3 Zn | P 63/m | 4.8523; 4.8523; 9.854 90; 90; 120 | 200.93 | Ben Ali, A.; Maisonneuve, V.; Smiri, L.S.; Leblanc, M. Synthesis and crystal structure of Ba Zn (C O3) F2; revision of the structure of Ba Mn (C O3) F2 Solid State Sciences, 2002, 4, 891-894 |
1100127 | CIF | C2 F Na2 O6 Yb | C 1 2/c 1 | 17.44; 6.1003; 11.2366 90; 95.64; 90 | 1189.67 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
1100128 | CIF | C2 F2 Na3 O6 Yb | C 1 c 1 | 7.127; 29.816; 6.928 90; 112.56; 90 | 1359.54 | Ben Ali, A.; Maisonneuve, V.; Leblanc, M. Phase stability regions in the (Na2 C O3) - (Yb F3) - (H2 O) system at 190 C. Crystal structures of two new fluoride carbonates, Na2 Yb (C O3)2 F and Na3 Yb (C O3)2 F2 Solid State Sciences, 2002, 4, 1367-1375 |
1100644 | CIF | C30 H40 Cl2 N2 O6 Zn2 | P -1 | 8.6024; 10.1643; 10.2254 86.61; 79.601; 69.707 | 824.81 | Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W. Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles Chemistry - A European Journal, 1998, 4, 814-817 |
1101061 | CIF | C36 H32 Ag2 N26 O14 Pt2 | C 1 2/c 1 | 25.778; 13.521; 13.315 90; 98.06; 90 | 4595 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; René Faure Structure of a tetranuclear heterometallic Ag(I)-Pt(II) complex with a triazolopyrimidine derivative. Inorganic Chemistry Communications, 2001, 4, 254-256 |
1505170 | CIF | C40 H38 N8 O4 | P 1 21/n 1 | 5.6367; 32.91; 9.4476 90; 102.342; 90 | 1712.1 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505171 | CIF | C15 H11 F2 N3 O2 | P 1 21/n 1 | 7.1555; 17.958; 10.9686 90; 101.301; 90 | 1382.1 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505172 | CIF | C32 H39 N3 O4 | P -1 | 8.8864; 11.9875; 13.7015 99.38; 93.191; 107.556 | 1364.42 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505173 | CIF | C32 H24 N8 O12 | P -1 | 9.7657; 11.7691; 14.0803 86.227; 74.163; 86.202 | 1551.53 | Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics, 2007, 4, 317 |
1505174 | CIF | C13 H16 N4 O4 | P 1 21/m 1 | 8.7478; 6.5361; 12.5842 90; 107.296; 90 | 686.98 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505175 | CIF | C14 H15 N4 O5 | P 1 21/n 1 | 6.9183; 25.9086; 7.9749 90; 104.754; 90 | 1382.32 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505176 | CIF | C18 H16 N4 O5 | P 1 21/c 1 | 11.814; 31.707; 8.92 90; 98.072; 90 | 3308.2 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505177 | CIF | C14 H14 N4 O5 | P 1 21/c 1 | 7.1201; 7.928; 24.763 90; 91.66; 90 | 1397.2 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505178 | CIF | C15 H17 N5 O4 | P 1 21/n 1 | 8.7337; 15.3838; 11.5271 90; 99.256; 90 | 1528.59 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505179 | CIF | C8 H12 N5 O2 | P 1 21/c 1 | 8.7804; 6.5989; 16.0041 90; 102.292; 90 | 906.04 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505180 | CIF | C16 H26 N10 O5 | P -1 | 8.3936; 10.2277; 11.8295 78.839; 77.795; 81.075 | 966.87 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505181 | CIF | C17 H13 F3 N2 O6 | P 1 21/c 1 | 8.1434; 20.7559; 10.6511 90; 110.276; 90 | 1688.73 | Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics, 2007, 4, 323 |
1505182 | CIF | C19 H18 N4 O5 | P 1 21/n 1 | 7.6063; 14.042; 16.327 90; 94.03; 90 | 1739.5 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
1505183 | CIF | C19 H18 N4 O5 | P 1 21/c 1 | 9.04; 24.42; 8.654 90; 117.015; 90 | 1702 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
1505184 | CIF | C19 H18 N4 O5 | P -1 | 8.029; 8.592; 13.996 106.475; 98.162; 104.904 | 870.3 | Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics, 2007, 4, 339 |
1505185 | CIF | C13 H18 N4 O10 | P 1 21/c 1 | 17.9217; 6.1766; 15.3751 90; 105.212; 90 | 1642.32 | Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics, 2007, 4, 347 |
1505186 | CIF | C14 H18 N4 O9 | P -1 | 7.3874; 8.3967; 13.5053 91.333; 99.04; 99.588 | 814.72 | Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics, 2007, 4, 347 |
1505187 | CIF | C2 H5 O5.5 | P n m a | 11.231; 12.33; 6.9082 90; 90; 90 | 956.6 | Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics, 2007, 4, 355 |
1505188 | CIF | C4 H9 O11 | P -1 | 6.337; 7.247; 10.571 94.345; 100.244; 97.674 | 471 | Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics, 2007, 4, 355 |
1505189 | CIF | C26 H22 N4 O2 | P 1 21/c 1 | 13.223; 6.1971; 14.63 90; 113.661; 90 | 1098.1 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505190 | CIF | C19 H15 N3 O | C 1 2/c 1 | 18.715; 7.228; 23.208 90; 90.478; 90 | 3139 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505191 | CIF | C26 H20 N4 O2 | P 1 21/n 1 | 16.5421; 7.5056; 18.709 90; 106.763; 90 | 2224.2 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505192 | CIF | C24 H18 N4 O2 | P 1 21/c 1 | 20.866; 7.437; 6.7662 90; 98.142; 90 | 1039.4 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505193 | CIF | C18 H14 N2 O | P 1 21/c 1 | 9.906; 21.65; 7.59 90; 112.14; 90 | 1508 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505194 | CIF | C24 H18 N4 O2 | P 1 21/n 1 | 12.7871; 7.2838; 44.445 90; 90.895; 90 | 4139 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505195 | CIF | C18 H14 N2 O | C 1 2/c 1 | 26.217; 7.481; 19.41 90; 128.31; 90 | 2987 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505196 | CIF | C24 H18 N4 O2 | P -1 | 3.8483; 8.755; 14.364 96.647; 94.498; 95.474 | 476.5 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505197 | CIF | C26 H22 N4 O2 | P 1 21/c 1 | 11.195; 7.335; 13.53 90; 99.465; 90 | 1095.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505198 | CIF | C19 H15 N3 O | C 1 c 1 | 18.503; 7.5019; 21.971 90; 92.181; 90 | 3047.5 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505199 | CIF | C19 H15 N3 O | P -1 | 7.616; 10.003; 22.497 87.342; 81.024; 69.737 | 1588.1 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505200 | CIF | C26 H20 N4 O2 | P 1 21/c 1 | 14.66; 4.11; 18.29 90; 90.74; 90 | 1101.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505201 | CIF | C24 H18 N4 O2 | C 1 2/c 1 | 39.87; 7.586; 6.915 90; 91.972; 90 | 2090 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505202 | CIF | C24 H18 N6 O3 | P -1 | 7.889; 8.156; 19.673 83.866; 85.627; 63.512 | 1125.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505203 | CIF | C18 H14 N4 O2 | P -1 | 9.171; 9.941; 10.265 95.674; 94.987; 114.784 | 836.9 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505204 | CIF | C30 H24 F4 N4 O4 S | P -1 | 8.274; 10.172; 18.601 87.521; 78.256; 71.067 | 1449.4 | Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics, 2007, 4, 401 |
1505205 | CIF | C12 H10 N4 O5 | P 1 21/n 1 | 10.385; 7.2222; 16.3763 90; 93.686; 90 | 1225.72 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505206 | CIF | C16 H18 N4 O5 | P -1 | 8.4083; 9.8893; 10.6761 73.201; 79.022; 74.182 | 811.64 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505207 | CIF | C6 H6 N3 O4 | P 1 21/n 1 | 5.258; 6.478; 22.118 90; 95.795; 90 | 749.5 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505208 | CIF | C24 H18 N4 O8 S2 | P 1 21/n 1 | 6.5207; 14.0377; 13.1232 90; 104.28; 90 | 1164.12 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505209 | CIF | C13 H17 N3 O4 | P 1 21/c 1 | 7.2276; 19.5811; 9.9928 90; 98.136; 90 | 1399.99 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505210 | CIF | C20 H26 N4 O5 | P 1 21/c 1 | 8.2106; 23.9166; 20.6318 90; 96.67; 90 | 4024 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505211 | CIF | C24 H22 N4 O6 | P -1 | 5.692; 9.482; 10.751 69.893; 84.232; 84.969 | 541.2 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505212 | CIF | C9 H11 N2 O4 | P -1 | 6.409; 7.372; 11.064 96.127; 97.22; 105.35 | 494.7 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505213 | CIF | C23 H18 N4 O3 | P -1 | 7.284; 10.688; 14.132 100.25; 102.463; 109.079 | 977.8 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1505214 | CIF | C17 H14 N3 O2 | P 1 21/c 1 | 10.237; 27.247; 5.135 90; 102.708; 90 | 1397.2 | Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics, 2007, 4, 417 |
1507424 | CIF | C34 H30 | C 1 2/c 1 | 25.074; 6.482; 19.246 90; 124.441; 90 | 2579.7 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507425 | CIF | C32 H30 Si2 | P -1 | 5.833; 10.146; 11.642 76.25; 76.93; 84.99 | 651.5 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507426 | CIF | C38 H42 Si2 | P -1 | 7.819; 13.569; 16.508 70; 85.08; 74.12 | 1582.9 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507427 | CIF | C38 H42 Si2 | C 1 2/c 1 | 30.511; 7.387; 32.106 90; 118.186; 90 | 6378.1 | Anthony, John E.; Eaton, David L.; Parkin, Sean R. A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives Organic Letters, 2002, 4, 15 |
1507428 | CIF | C18 H9 F12 O5 P | P 1 21/c 1 | 11.2604; 15.5456; 12.5778 90; 113.165; 90 | 2024.23 | Hanes, Robert E.; Lynch, Vincent M.; Anslyn, Eric V.; Dalby, Kevin N. Toward a Stable Hydroxyphosphorane Organic Letters, 2002, 4, 201 |
1507429 | CIF | C10 H12 Se4 | P 1 21/c 1 | 4.5764; 13.449; 10.3777 90; 95.939; 90 | 635.3 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507430 | CIF | C14 H20 Se4 | P 1 21/c 1 | 4.637; 17.2194; 10.3998 90; 91.907; 90 | 829.93 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507431 | CIF | C12 H20 S4 | P 1 21/c 1 | 5.2225; 10.3139; 14.2995 90; 99.951; 90 | 758.65 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507432 | CIF | C16 H28 S4 | P 1 21/c 1 | 9.8648; 5.2409; 18.8504 90; 100.833; 90 | 957.21 | Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures Organic Letters, 2002, 4, 339 |
1507433 | CIF | C16 H14 N O3 S | P -1 | 8.187; 9.357; 10.88 109.46; 100.41; 106.86 | 715.7 | Lee, Dong Joon; Kim, Kyongtae; Park, Yung Ja Novel Synthesis of 5,6-Dihydro-4H-thieno[3,2-b]pyrrol-5-ones via the Rhodium(II)-Mediated Wolff Rearrangement of 3-(Thieno-2-yl)-3-oxo-2-diazopropanoates Organic Letters, 2002, 4, 873 |
1507434 | CIF | C22 H27 N O4 | P 1 21 1 | 7.639; 9.002; 14.719 90; 91.3; 90 | 1011.9 | Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi Short Total Synthesis of (+)-Madindolines A and B Organic Letters, 2002, 4, 501 |
1507435 | CIF | C50 H66 N4 O2 | P -1 | 8.4503; 8.5384; 15.8256 93.928; 94.197; 106.882 | 1084.88 | Wong, Ken-Tsung; Hung, Tsung Shi; Lin, Yuting; Wu, Chung-Chih; Lee, Gene-Hsiang; Peng, Shie-Ming; Chou, Chung Hsien; Su, Yuhlong Oliver Suzuki Coupling Approach for the Synthesis of Phenylene−Pyrimidine Alternating Oligomers for Blue Light-Emitting Material Organic Letters, 2002, 4, 513 |
1507436 | CIF | C21 H22 O2 | P 1 21/a 1 | 10.83; 10.22; 15.06 90; 90.32; 90 | 1667 | Clayden, Jonathan; Kenworthy, Martin N. Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization Organic Letters, 2002, 4, 787 |
1507437 | CIF | C45 H72 I N O7 Si2 | P 1 21 1 | 14.6699; 7.7774; 21.9785 90; 107.13; 90 | 2396.37 | Hale, Karl J.; Dimopoulos, Paschalis; Cheung, Maxine L. F.; Frigerio, Mark; Steed, Jonathan W.; Levett, Philip C. A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin Organic Letters, 2002, 4, 897-900 |
1507438 | CIF | C19 H26 O5 | C 1 2/c 1 | 32.068; 6.4068; 17.829 90; 97.466; 90 | 3632 | Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters, 2002, 4, 663 |
1507439 | CIF | C20 H23 N O2 | P -1 | 7.905; 8.227; 13.861 99.55; 105.59; 95.6 | 846.6 | Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters, 2002, 4, 663 |
1507440 | CIF | C14 H14 O2 | P 1 21/n 1 | 8.693; 7.304; 18.231 90; 102.64; 90 | 1129.5 | Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems Organic Letters, 2002, 4, 663 |
1507441 | CIF | C24 H21 N2 O3 P S | P 1 c 1 | 9.76; 9.994; 12.081 90; 107.99; 90 | 1120.8 | Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle Organic Letters, 2002, 4, 1835 |
1507442 | CIF | C14 H14 N2 O2 S4 | P 1 21/c 1 | 10.9333; 15.1525; 11.1724 90; 114.297; 90 | 1686.95 | Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes Organic Letters, 2002, 4, 2185 |
1507443 | CIF | C24 H18 N5 O6 S4 | P -1 | 11.1052; 13.194; 9.958 106.198; 91.656; 108.415 | 1318.39 | Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes Organic Letters, 2002, 4, 2185 |
1507444 | CIF | C28 H44 N0 O5 | P 1 21 1 | 17.185; 7.408; 10.45 90; 102.4; 90 | 1299.3 | Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins Organic Letters, 2002, 4, 1295 |
1507445 | CIF | C28 H30 N0 O5 | P 1 21 1 | 12.57; 5.901; 16.872 90; 90.64; 90 | 1251.4 | Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins Organic Letters, 2002, 4, 1295 |
1507446 | CIF | C20 H27 I O5 | P -1 | 16.2206; 22.134; 11.6664 90; 90; 90 | 4188.5 | Usuda, Hiroyuki; Kanai, Motomu; Shibasaki, Masakatsu Studies toward the Total Synthesis of Garsubellin A: A Concise Synthesis of the 18-epi-Tricyclic Core Organic Letters, 2002, 4, 859 |
1507447 | CIF | C100 H112 N8 O8 | C 1 2/c 1 | 31.382; 14.509; 19.533 90; 101.269; 90 | 8722 | Spencer, Douglas J. E.; Johnson, Bryan J.; Johnson, Brian J.; Tolman, William B. Calix[4]arenes Linked to Multiple Bidentate N-Donors: Potential Ligands for Synthetic Modeling of Multinuclear Metalloenzymes Organic Letters, 2002, 4, 1391 |
1507448 | CIF | C80 H64 N4 O22 | P 1 21/n 1 | 22.191; 15.293; 22.856 90; 106.303; 90 | 7445 | Shivanyuk, Alexander; Far, Adel Rafai; Rebek, Julius Rigid Tetranitroresorcinarenes Organic Letters, 2002, 4, 1555 |
1507449 | CIF | C16 H14 N2 O3 S | P 21 21 21 | 7.9615; 9.9599; 38.3334 90; 90; 90 | 3039.68 | Siu, Tung; Yudin, Andrei K. Electrochemical Imination of Sulfoxides Using N-Aminophthalimide Organic Letters, 2002, 4, 1839 |
1507450 | CIF | C21 H27 F3 N2 O5 | P 41 | 12.229; 12.229; 15.675 90; 90; 90 | 2344 | Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters, 2002, 4, 1571 |
1507451 | CIF | C12 H18 F3 N O | P 21 21 21 | 5.9581; 13.713; 15.466 90; 90; 90 | 1263.6 | Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization Organic Letters, 2002, 4, 1571 |
1507452 | CIF | C13 H17 Br O2 | P 1 21 1 | 8.958; 6.548; 11.546 90; 107.92; 90 | 644.4 | Van Cauwenberge, Gunther; Gao, Ling-Jie; Van Haver, Dirk; Milanesio, Marco; Viterbo, Davide; De Clercq, Pierre J. A Novel Short Convergent Entry into Himbacine Derivatives Organic Letters, 2002, 4, 1579 |
1507453 | CIF | C30 H32 N O2 P | P 1 21 1 | 7.5807; 15.193; 11.4579 90; 95.296; 90 | 1314 | Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D. A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation† Organic Letters, 2002, 4, 1615 |
1507454 | CIF | C29 H30 N O2 P | P 1 21 1 | 14.0092; 11.9178; 16.5822 90; 114.921; 90 | 2510.8 | Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D. A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation† Organic Letters, 2002, 4, 1615 |
1507455 | CIF | C22 H38 O7 | P 21 21 21 | 9.322; 9.454; 27.584 90; 90; 90 | 2431 | Salomon, Christine E.; Williams, David H.; Lobkovsky, Emil; Clardy, Jon C.; Faulkner, D. John Relative and Absolute Stereochemistry of the Didemnaketals, Metabolites of a Palauan Ascidian,Didemnumsp. Organic Letters, 2002, 4, 1699 |
1507456 | CIF | C28 H41 N O Si4 | P -1 | 11.1473; 12.954; 22.317 97.649; 99.83; 95.559 | 3123.4 | El-Sayed, Ibrahim; Guliashvili, Tamaz; Hazell, Rita; Gogoll, Adolf; Ottosson, Henrik Evidence for Formation of Silenes Strongly Influenced by Reversed SiC Bond Polarity Organic Letters, 2002, 4, 1915 |
1507457 | CIF | C24 H12 | P 1 21/c 1 | 15.468; 3.8318; 25.454 90; 101.002; 90 | 1480.9 | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters, 2002, 4, 2075 |
1507458 | CIF | C37.5 H31 Co | P -1 | 7.0791; 13.176; 15.734 111.494; 95.57; 100.867 | 1318.7 | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters, 2002, 4, 2075 |
1507459 | CIF | C36 H31 Co O0.5 | C 1 2/c 1 | 14.4895; 9.0045; 40.411 90; 96.501; 90 | 5238.5 | Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J. Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion Organic Letters, 2002, 4, 2075 |
1507460 | CIF | C27 H40 Br N3 O6 | P 21 21 21 | 11.468; 12.686; 20.298 90; 90; 90 | 2953 | Gralla, Gabriele; Wibbeling, Birgit; Hoppe, Dieter Synthesis of an Ethynyl Carbamate and Application for Enantioselective Cyclocarbolithiation Organic Letters, 2002, 4, 2193 |
1507461 | CIF | C19 H18 Cl3 N O2 | P 21 21 21 | 12.36; 13.93; 10.496 90; 90; 90 | 1807 | Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes Organic Letters, 2002, 4, 2457 |
1507462 | CIF | C25 H30 Cl4 Ir N O | P 1 21/c 1 | 13.2705; 12.1408; 15.91 90; 97.531; 90 | 2541.2 | Suzuki, Takeyuki; Morita, Kenji; Tsuchida, Mika; Hiroi, Kunio Mild and Chemoselective Synthesis of Lactones from Diols Using a Novel Metal−Ligand Bifunctional Catalyst Organic Letters, 2002, 4, 2361 |
1507463 | CIF | C11 H9 N O2 | P 1 21/c 1 | 13.6525; 8.1225; 8.4007 90; 97.529; 90 | 923.54 | Hong, Bor-Cherng; Shr, Yeong-Jou; Wu, Jian-Lin; Gupta, Arun Kumar; Lin, Kuan-Jiuh Novel [6 + 2] Cycloaddition of Fulvenes with Alkenes: A Facile Synthesis of the Anislactone and Hirsutane Framework Organic Letters, 2002, 4, 2249 |
1507464 | CIF | C30 H22 | P 1 21/n 1 | 10.9686; 5.7792; 16.9883 90; 101.516; 90 | 1055.21 | Brizius, Glen; Bunz, Uwe H. F. Increased Activity of in Situ Catalysts for Alkyne Metathesis Organic Letters, 2002, 4, 2829 |
1507465 | CIF | C29 H38 | P -1 | 11.355; 11.344; 18.115 89.578; 78.647; 82.3 | 2266.7 | Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene Organic Letters, 2002, 4, 2261 |
1507466 | CIF | C29 H38 N2 | P 1 21/c 1 | 12.237; 9.6067; 20.3737 90; 93.534; 90 | 2390.5 | Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene Organic Letters, 2002, 4, 2261 |
1507467 | CIF | C26 H40 O2 | P 21 21 21 | 7.1993; 10.0365; 31.1705 90; 90; 90 | 2252.25 | Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement Organic Letters, 2002, 4, 2389 |
1507468 | CIF | C64 H89 Cl6 N5 O8 | C 2 2 21 | 12.621; 22.358; 23.335 90; 90; 90 | 6585 | Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari Complexation of Small Molecules by Open-Ended Resorcarene Hosts Organic Letters, 2002, 4, 3019 |
1507469 | CIF | C20 H22 Co2 O11 Si | P 1 21/c 1 | 11.678; 9.253; 24.678 90; 94.235; 90 | 2659 | Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F. Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles Organic Letters, 2002, 4, 2277 |
1507470 | CIF | C52 H48 O6 | P -1 | 10.665; 11.095; 19.934 83.635; 78.07; 65.68 | 2102.1 | Barhate, Nivrutti B.; Chen, Chien-Tien Catalytic Asymmetric Oxidative Couplings of 2-Naphthols by TridentateN-Ketopinidene-Based Vanadyl Dicarboxylates Organic Letters, 2002, 4, 2529 |
1507471 | CIF | C20 H32 F N O2 S Si | P 1 21/c 1 | 8.43; 28.3483; 10.035 90; 101.904; 90 | 2346.56 | Lan, Yunfeng; Hammond, Gerald B. Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes Organic Letters, 2002, 4, 2437 |
1507472 | CIF | C18 H24 N4 O | C 1 2/c 1 | 32.285; 6.4839; 18.619 90; 117.533; 90 | 3456.1 | Kelly, T. Ross; Cavero, Marta Selective Monoacylation of a Diamine Using Intramolecular Delivery by a DMAP Unit Organic Letters, 2002, 4, 2653 |
1507473 | CIF | C15 H14 O2 | P 1 21 1 | 8.609; 5.81; 12.628 90; 105.779; 90 | 607.83 | Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives Organic Letters, 2002, 4, 2445 |
1507474 | CIF | C134 H28 Cl12 O6 P2 | P 1 21/c 1 | 19.81; 15.45; 28.723 90; 101.23; 90 | 8623 | Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602- Organic Letters, 2002, 4, 2541 |
1507475 | CIF | C58 H42 N2 O4 | P 21 21 21 | 8.9674; 20.8342; 23.2481 90; 90; 90 | 4343.41 | Shimada, Toyoshi; Kina, Asato; Ikeda, Syushiro; Hayashi, Tamio A Novel Axially Chiral 2,2‘-BipyridineN,N‘-Dioxide. Its Preparation and Use for Asymmetric Allylation of Aldehydes with Allyl(trichloro)silane as a Highly Efficient Catalyst Organic Letters, 2002, 4, 2799 |
1507476 | CIF | C18 H20 Cl N O3 S | P -1 | 10.218; 11.247; 8.086 98.16; 101.84; 84.16 | 897.7 | Yamada, Ken-ichi; Fujihara, Hidetaka; Yamamoto, Yasutomo; Miwa, Yoshihisa; Taga, Tooru; Tomioka, Kiyoshi Radical Addition of Ethers to Imines Initiated by Dimethylzinc Organic Letters, 2002, 4, 3509 |
1507477 | CIF | C24 H16 O3 | P 1 21/c 1 | 8.1438; 11.5962; 18.591 90; 95.066; 90 | 1748.8 | Liu, Jin; Brooks, Neil R. Stereoselective Stobbe Condensation of Ethyl Methyl Diphenylmethylenesuccinate with Aromatic Aldehydes Organic Letters, 2002, 4, 3521 |
1507478 | CIF | C15 H21 N O3 S | P 1 21/c 1 | 12.314; 5.395; 23.491 90; 99.5; 90 | 1539.2 | Williams, Jodi T.; Bahia, Perdip Singh; Snaith, John S. Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: A Switch in Diastereoselectivity between Lewis and Brønsted Acid Catalysts Organic Letters, 2002, 4, 3727 |
1507479 | CIF | C20 H27 N O6 | P 1 21 1 | 17.1716; 6.2714; 19.602 90; 90.762; 90 | 2110.8 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507480 | CIF | C23 H32 N2 O7 | P 21 21 21 | 6.7036; 15.5557; 22.4024 90; 90; 90 | 2336.1 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507481 | CIF | C22 H28 N2 O6 | P 21 21 21 | 6.7479; 13.9428; 22.927 90; 90; 90 | 2157.08 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507482 | CIF | C20 H24 Br N O5 | P 1 21 1 | 8.1266; 6.78; 17.9128 90; 97.228; 90 | 979.1 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507483 | CIF | C20 H24 Br N O5 | P 21 21 21 | 6.723; 9.4873; 31.0788 90; 90; 90 | 1982.3 | Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies Organic Letters, 2002, 4, 4387 |
1507484 | CIF | C61 H45 S2 | P -1 | 11.2629; 14.534; 15.0164 108.378; 92.145; 101.385 | 2273.7 | Wong, Ken-Tsung; Wang, Chung-Feng; Chou, Chung Hsien; Su, Yuhlong Oliver; Lee, Gene-Hsiang; Peng, Shie-Ming Synthesis and properties of novel thiophene-based conjugated homologues: 9,9-diphenylfluorene-capped oligothiophenes. Organic letters, 2002, 4, 4439-4442 |
1507485 | CIF | C19 H27 N O4 S | C 1 2/c 1 | 17.4458; 14.1729; 16.0903 90; 100.892; 90 | 3906.8 | Lu, Cheng; Lu, Xiyan Tandem reactions to construct heterocycles via phosphine-catalyzed umpolung addition and intramolecular conjugate addition. Organic letters, 2002, 4, 4677-4679 |
1507486 | CIF | C30 H30 O4 S6 | C 1 2/c 1 | 23.493; 5.3111; 26.185 90; 115.918; 90 | 2938.6 | Kozaki, M.; Yonezawa, Y.; Okada, K. Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes. Organic letters, 2002, 4, 4535-4538 |
1507487 | CIF | C44 H36 Cl10 Fe2 N4 O S6 | P 1 | 13.844; 13.846; 18.7 71.71; 71.68; 60.87 | 2916 | Kozaki, M.; Yonezawa, Y.; Okada, K. Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes. Organic letters, 2002, 4, 4535-4538 |
1507488 | CIF | C19 H16 N2 | P -1 | 9.636; 10.1513; 14.2933 92.812; 91.68; 92.388 | 1394.56 | Nadipuram, Asha K.; David, Wendi M.; Kumar, Dalip; Kerwin, Sean M. Synthesis and thermolysis of heterocyclic 3-aza-3-ene-1,5-diynes(1). Organic letters, 2002, 4, 4543-4546 |
1507489 | CIF | C30 H35 N O12 | C 1 2 1 | 28.625; 6.7023; 17.446 90; 121.459; 90 | 2855.1 | Yang, Zhixiang; Shannon, Dean; Truong, Vouy-Linh; Deslongchamps, Pierre Studies directed toward asymmetric synthesis of cardioactive steroids via anionic polycyclization. Organic letters, 2002, 4, 4693-4696 |
1507490 | CIF | C48 H38 Cu N3 O3 P2 | P 1 21 1 | 10.0266; 19.7098; 10.6355 90; 103.203; 90 | 2046.25 | Bates, Craig G.; Saejueng, Pranorm; Murphy, Jaclyn M.; Venkataraman, D. Synthesis of 2-arylbenzo[b]furans via copper(I)-catalyzed coupling of o-iodophenols and aryl acetylenes. Organic letters, 2002, 4, 4727-4729 |
1507494 | CIF | C48 H60 O14 S4 | C 1 2/c 1 | 13.0945; 19.8439; 18.6198 90; 96.158; 90 | 4810.36 | Xu, Jianwei; Lai, Yee-Hing; He, Chaobin A Unique Spherical Molecular Host withD2dSymmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers Organic Letters, 2002, 4, 3911 |
1507495 | CIF | C37 H42 | P -1 | 10.3419; 22.206; 12.4509 90.042; 114.478; 89.959 | 2602.4 | Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene Organic Letters, 2002, 4, 4117 |
1507496 | CIF | C39 H46 Cl10 Sb | P 21 21 21 | 10.5029; 19.6289; 20.4634 90; 90; 90 | 4218.7 | Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene Organic Letters, 2002, 4, 4117 |
1507497 | CIF | C9 H6 Cl Cr N O6 | P 1 21/n 1 | 9.289; 11.89; 12.035 90; 112.12; 90 | 1231 | Barluenga, José; Aznar, Fernando; Gutiérrez, Ignacio; García-Granda, Santiago; Llorca-Baragaño, M Amparo First intermolecular cyclopropanation of Fischer dialkylaminocarbene complexes. Synthesis of 1-aminocyclopropanecarboxylic acid derivatives. Organic letters, 2002, 4, 4273-4276 |
1507498 | CIF | C34 H28 I2 O3 | P 1 21/a 1 | 18.581; 7.4811; 22.069 90; 96.821; 90 | 3046 | Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units. Organic letters, 2002, 4, 4269-4272 |
1508163 | CIF | C168 H176 Cl F49 Fe5 N32 O18.5 P8 | P 1 21/c 1 | 23.444; 36.333; 29.094 90; 105.335; 90 | 23900 | Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David A synthetic molecular pentafoil knot. Nature chemistry, 2012, 4, 15-20 |
1508164 | CIF | C20 H30 O | P 21 21 21 | 9.8261; 11.6102; 14.6754 90; 90; 90 | 1674.21 | Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S. Scalable enantioselective total synthesis of taxanes. Nature chemistry, 2012, 4, 21-25 |
1508165 | CIF | C19 H28 O2 | P 1 21 1 | 7.7453; 10.3009; 9.7366 90; 94.175; 90 | 774.76 | Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S. Scalable enantioselective total synthesis of taxanes. Nature chemistry, 2012, 4, 21-25 |
1508166 | CIF | C120 H76 B2 F48 O4 Pd4 | C 1 2/c 1 | 28.2551; 19.2999; 21.1845 90; 97.2296; 90 | 11460.5 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508167 | CIF | C60 H60 Cl8 F24 O4 P4 Pd4 | C 1 2/c 1 | 15.3692; 24.9813; 18.5227 90; 93.871; 90 | 7095.4 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508168 | CIF | C63 H61 B4 F16 N3 O6 Pd4 | C 1 2/c 1 | 26.6501; 11.2467; 21.7172 90; 104.023; 90 | 6315.2 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508169 | CIF | C62 H58 B2 F8 N2 O4 Pd4 | P 1 21/c 1 | 7.8918; 24.8188; 29.1008 90; 93.2773; 90 | 5690.5 | Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks. Nature chemistry, 2012, 4, 52-58 |
1508170 | CIF | C112.5 H116 Cl4 N14 O25.5 Zn2 | P 31 1 2 | 12.4175; 12.4175; 66.702 90; 90; 120 | 8907 | Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity. Nature chemistry, 2012, 4, 31-36 |
1508171 | CIF | C22 H26 F3 N O3 | P -1 | 10.305; 11.201; 11.779 63.547; 65.449; 66.927 | 1070.9 | Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A. Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers. Nature chemistry, 2012, 4, 45-51 |
1508172 | CIF | C146 H118 O11 | P -3 | 22.205; 22.205; 12.509 90; 90; 120 | 5341.4 | Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji A two-dimensional polymer prepared by organic synthesis. Nature chemistry, 2012, 4, 287-291 |
1508173 | CIF | C144 H110 Cl2 O6 | P -1 | 12.5392; 21.844; 22.5292 61.234; 88.2978; 89.8086 | 5406.5 | Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji A two-dimensional polymer prepared by organic synthesis. Nature chemistry, 2012, 4, 287-291 |
1508174 | CIF | C33 H35 F3 N2 O2 | P 1 21 1 | 7.995; 12.695; 14.1 90; 103.65; 90 | 1390.7 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508175 | CIF | C32 H40 N2 O6 | P 1 21/c 1 | 16.103; 10.495; 17.623 90; 101.349; 90 | 2920.1 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508176 | CIF | C38 H40 N2 O2 | P 1 21/n 1 | 10.823; 16.686; 34.964 90; 94.576; 90 | 6294.11 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508177 | CIF | C28 H30 N4 O2 | P 1 21/n 1 | 15.343; 10.755; 15.6115 90; 101.147; 90 | 2527.52 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508178 | CIF | C31 H38 N2 O2 | P -1 | 12.279; 12.381; 18.148 76.148; 82.469; 76.342 | 2594.85 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508179 | CIF | C28 H34 N2 O3 | P -1 | 8.1786; 10.2957; 14.8635 85.453; 81.396; 80.662 | 1219.1 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508181 | CIF | C31 H33 N3 O5 | P 1 21/c 1 | 15.9318; 14.2492; 24.1259 90; 93.8; 90 | 5464.9 | Moerdyk, Jonathan P.; Bielawski, Christopher W. Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents. Nature chemistry, 2012, 4, 275-280 |
1508183 | CIF | C42 H54 N4 O2 Si4 U | P -4 n 2 | 15.3164; 15.3164; 11.091 90; 90; 90 | 2601.86 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508184 | CIF | C69 H82 N8 O4 Si2 U2 | P 1 21/c 1 | 16.2362; 18.1288; 26.4879 90; 101.144; 90 | 7649.5 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508185 | CIF | C79 H83 N8 O4 Si2 U2 | P 1 21/n 1 | 15.465; 24.4171; 20.7529 90; 101.073; 90 | 7690.6 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508186 | CIF | C65 H90 N8 O12 Si U3 | P -1 | 14.1406; 14.7186; 18.347 86.724; 77.931; 77.425 | 3644.3 | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. Nature chemistry, 2012, 4, 221-227 |
1508187 | CIF | C528 H408 F144 N72 O24 P24 Pd12 | I m -3 m | 39.346; 39.346; 39.346 90; 90; 90 | 60912 | Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry, 2012, 4, 330-333 |
1508188 | CIF | C552 H408 N90 O92 Pd18 | F 4 3 2 | 53.334; 53.334; 53.334 90; 90; 90 | 151709 | Sun, Qing-Fu; Sato, Sota; Fujita, Makoto An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core Nature Chemistry, 2012, 4, 330-333 |
1508189 | CIF | C56 H90 Ge | C 1 2/c 1 | 32.638; 18.597; 16.904 90; 104.878; 90 | 9916 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508190 | CIF | C56 H90 Ge O | P 1 21/c 1 | 25.3767; 10.9823; 18.0763 90; 90.2057; 90 | 5037.73 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508191 | CIF | C56 H92 Ge O | P 1 21/c 1 | 12.9912; 18.9629; 20.688 90; 102.064; 90 | 4983.9 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508192 | CIF | C57 H94 Ge O | P 1 21/c 1 | 13.71; 17.896; 21.842 90; 107.56; 90 | 5109.3 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508193 | CIF | C56 H92 Ge O2 | P 1 21/c 1 | 13.0454; 18.9843; 20.817 90; 102.151; 90 | 5040 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508194 | CIF | C60.25 H99 Ge O2 | I 41/a :2 | 38.9676; 38.9676; 14.2661 90; 90; 90 | 21662.7 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508195 | CIF | C62 H98 Ge O Si | P 1 21/n 1 | 14.521; 22.215; 17.36 90; 97.761; 90 | 5548.8 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508196 | CIF | C57 H90 Ge O3 | P 1 2/c 1 | 10.0743; 9.9792; 24.924 90; 90.988; 90 | 2505.3 | Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei A stable germanone as the first isolated heavy ketone with a terminal oxygen atom. Nature chemistry, 2012, 4, 361-365 |
1508197 | CIF | C62 H50 N O2 P | P -1 | 10.736; 13.918; 17.475 67.825; 89.276; 73.543 | 2305.9 | Ohmatsu, Kohsuke; Ito, Mitsunori; Kunieda, Tomoatsu; Ooi, Takashi Ion-paired chiral ligands for asymmetric palladium catalysis. Nature chemistry, 2012, 4, 473-477 |
1508198 | CIF | C14 H72 Cl3 Co2 N7 Na4 O75 Se2 W19 | C 1 2/m 1 | 34.9972; 20.861; 18.0161 90; 108.602; 90 | 12466 | Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy Integrated 3D-printed reactionware for chemical synthesis and analysis. Nature chemistry, 2012, 4, 349-354 |
1508199 | CIF | C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 | C 1 2/m 1 | 36.022; 20.6218; 17.8132 90; 110.322; 90 | 12408.7 | Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy Integrated 3D-printed reactionware for chemical synthesis and analysis. Nature chemistry, 2012, 4, 349-354 |
1508200 | CIF | C21 H17 Br N2 O | P 1 21/n 1 | 9.0792; 13.8548; 13.5655 90; 101.341; 90 | 1673.09 | Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy Integrated 3D-printed reactionware for chemical synthesis and analysis. Nature chemistry, 2012, 4, 349-354 |
1508201 | CIF | C68 H92.24 F21 N16 O46.62 S4 | P 1 21/c 1 | 18.9372; 27.548; 18.7708 90; 100.644; 90 | 9623.9 | Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals. Nature chemistry, 2012, 4, 503-510 |
1508202 | CIF | C42 H52 F16.5 N8 Na2 O29.25 S2 | P -1 | 19.457; 23.652; 29.876 80.705; 87.973; 75.36 | 13128 | Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals. Nature chemistry, 2012, 4, 503-510 |
1508203 | CIF | C60 H62 Au2 Cl2 P2 | P 21 21 21 | 11.4778; 16.5221; 27.708 90; 90; 90 | 5254.47 | Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes. Nature chemistry, 2012, 4, 405-409 |
1508204 | CIF | C43 H65 N O14 | P -1 | 10.569; 14.846; 15.667 79.505; 77.528; 72.252 | 2268.1 | Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J. Metal-organic frameworks with dynamic interlocked components. Nature chemistry, 2012, 4, 456-460 |
1508205 | CIF | C35 H55 Cu2 N O19 | R -3 :H | 23.127; 23.127; 19.723 90; 90; 120 | 9136 | Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J. Metal-organic frameworks with dynamic interlocked components. Nature chemistry, 2012, 4, 456-460 |
1508206 | CIF | C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 | P -1 | 15.0826; 15.0937; 16.1407 62.563; 78.977; 62.693 | 2896.79 | Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven Closed-shell and open-shell square-planar iridium nitrido complexes. Nature chemistry, 2012, 4, 552-558 |
1508207 | CIF | C40 H80 Ir2 N4 P4 | P -1 | 11.5257; 13.0336; 17.1075 79.173; 89.524; 68.544 | 2344.1 | Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven Closed-shell and open-shell square-planar iridium nitrido complexes. Nature chemistry, 2012, 4, 552-558 |
1508208 | CIF | C20 H40 Ir N3 P2 | P 1 21/c 1 | 7.844; 26.903; 11.8151 90; 106.64; 90 | 2388.9 | Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven Closed-shell and open-shell square-planar iridium nitrido complexes. Nature chemistry, 2012, 4, 552-558 |
1508209 | CIF | C19 H31 B2 Fe N O3 Si2 | P -1 | 8.7118; 9.6694; 16.1522 91.546; 96.857; 116.772 | 1201.07 | Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander Controlled homocatenation of boron on a transition metal. Nature chemistry, 2012, 4, 563-567 |
1508210 | CIF | C36 H62 B4 Fe2 N2 O4 Si4 | C 1 2/c 1 | 27.394; 9.3733; 21.725 90; 126.076; 90 | 4508.6 | Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander Controlled homocatenation of boron on a transition metal. Nature chemistry, 2012, 4, 563-567 |
1508211 | CIF | C34 H62 B4 Fe N2 O2 Si4 | P -1 | 9.1423; 13.2797; 18.333 81.242; 86.113; 78.661 | 2155.2 | Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander Controlled homocatenation of boron on a transition metal. Nature chemistry, 2012, 4, 563-567 |
1508212 | CIF | C26 H16 | P -1 | 6.292; 7.673; 16.424 98.66; 91.16; 95.71 | 779.5 | Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J. The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry, 2012, 4, 574-578 |
1508213 | CIF | C26 H16 | P -1 | 6.306; 7.697; 16.48 98.77; 91.25; 95.81 | 785.9 | Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J. The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry, 2012, 4, 574-578 |
1508233 | CIF | C11 H16 Cl N3 O2 S | P 1 21/c 1 | 8.2757; 16.992; 9.7999 90; 93.804; 90 | 1375 | Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry, 2012, 4, 629-635 |
1508234 | CIF | C17 H24 O3 S | P 21 21 21 | 5.9123; 15.7609; 17.3746 90; 90; 90 | 1619.02 | Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry, 2012, 4, 629-635 |
1508235 | CIF | C15 H21 N O2 S | P 1 21 1 | 8.0945; 9.5301; 9.8131 90; 96.014; 90 | 752.83 | Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry, 2012, 4, 629-635 |
1508236 | CIF | C22 H32 O3 S | P 1 21 1 | 9.8222; 6.1623; 17.139 90; 100.004; 90 | 1021.61 | Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry, 2012, 4, 629-635 |
1508237 | CIF | C27 H35 N O2 S | P 21 21 21 | 8.724; 11.713; 22.823 90; 90; 90 | 2332.2 | Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry, 2012, 4, 629-635 |
1508238 | CIF | C27 H35 N O2 S | P 21 21 21 | 7.4983; 9.7183; 32.9845 90; 90; 90 | 2403.6 | Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S. Guided desaturation of unactivated aliphatics. Nature chemistry, 2012, 4, 629-635 |
1508239 | CIF | C76 H109 B O4 U2 | C 1 2/c 1 | 14.2651; 15.6815; 31.5761 90; 97.149; 90 | 7008.6 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508240 | CIF | C78 H113 B O4 U2 | C 1 2/c 1 | 14.0326; 15.8676; 31.7835 90; 95.86; 90 | 7040 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508241 | CIF | C76 H107 B O4 U2 | P c a 21 | 24.882; 10.719; 25.2792 90; 90; 90 | 6742.22 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508242 | CIF | C81 H113 B O4 U2 | C 1 2/c 1 | 14.2409; 15.9949; 31.9248 90; 97.411; 90 | 7211.1 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508243 | CIF | C80 H108 O4 U2 | C 1 2/c 1 | 25.959; 26.8806; 23.248 90; 117.573; 90 | 14380 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508244 | CIF | C30 H78 N4 Si8 U2 | P 1 21/c 1 | 10.3378; 17.6019; 13.7838 90; 107.967; 90 | 2385.86 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508245 | CIF | C46 H84 N2 O2 Si4 U2 | P 1 21/c 1 | 9.9492; 16.7596; 31.5821 90; 94.515; 90 | 5249.8 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508246 | CIF | C63 H92 O4 U2 | P -1 | 13.9662; 17.3367; 26.0453 87.379; 78.703; 68.266 | 5742 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508247 | CIF | C31 H80 N4 Si8 U2 | P 1 21/n 1 | 22.026; 17.4845; 28.1385 90; 112.026; 90 | 10045.6 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508248 | CIF | C68 H94 O4 U2 | C 1 2/c 1 | 25.9066; 13.8525; 17.9287 90; 108.504; 90 | 6101.5 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508249 | CIF | C36 H82 N4 Si8 U2 | P 42 | 14.8957; 14.8957; 12.143 90; 90; 90 | 2694.31 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1508250 | CIF | C52 H71 Cr O7 U | P 21 21 21 | 11.8917; 15.9353; 26.8697 90; 90; 90 | 5091.7 | Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation. Nature chemistry, 2012, 4, 668-674 |
1509097 | CIF | Ag0.05 Mg1.95 | P 63/m m c | 3.1945; 3.1945; 5.1806 90; 90; 120 | 45.784 | Hardie, D.; Parkins, R.N. Lattice spacing relationships in magnesium solid solutions Philosophical Magazine, Serie 6 (1901-1925), 1959, 4, 815-825 |
1509131 | CIF | C12 H21 F6 O P | P 1 21/c 1 | 8.4923; 14.1476; 12.0094 90; 97.677; 90 | 1429.94 | Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry, 2012, 4, 1018-1023 |
1509132 | CIF | C18 H33 F6 O P | P 1 21/c 1 | 8.8102; 15.9354; 14.1905 90; 92.221; 90 | 1990.8 | Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry, 2012, 4, 1018-1023 |
1509133 | CIF | C18 H33 F6 O P | R 3 c :H | 10.2958; 10.2958; 32.34 90; 90; 120 | 2968.9 | Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry, 2012, 4, 1018-1023 |
1509134 | CIF | C22 H40 B11 Cl11 O | P -1 | 9.4366; 13.2814; 14.9075 92.8458; 90.6035; 96.3976 | 1854.21 | Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry, 2012, 4, 1018-1023 |
1509222 | CIF | Ag Al O2 | P 63/m m c | 2.8634; 2.8634; 11.2507 90; 90; 120 | 79.887 | Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1509315 | CIF | Ag F10 P Xe2 | I -4 c 2 | 8.467; 8.467; 12.745 90; 90; 90 | 913.69 | Ito, Y.; Hagiwara, R.; Tamada, O.; Matsumoto, K. Synthetic, structural and thermal studies of Ag(I) - Xe F2 complex salts Solid State Sciences, 2002, 4, 1465-1469 |
1509335 | CIF | Ag Fe Mn2 Na O12 P3 | C 1 2/c 1 | 12.085; 12.684; 6.498 90; 114.535; 90 | 906.117 | Durio, C.; Pico, C.; Chouaibi, N.; Daidouh, A.; Ouassini, A.; Veiga, M.L. Structural and electrical study of the alluaudites (Ag1-x Nax)2 Fe Mn2 (P O4)3 (x = 0, 0.5 and 1) Solid State Sciences, 2002, 4, 541-548 |
1509345 | CIF | Ag Ga O2 | P 63/m m c | 3.0306; 3.0306; 12.3692 90; 90; 120 | 98.385 | Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1509396 | CIF | Ag In O2 | P 63/m m c | 3.353; 3.353; 12.694 90; 90; 120 | 123.594 | Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1509485 | CIF | Ag Ni0.695 O2 Sb0.305 | R -3 m :H | 3.064; 3.064; 18.671 90; 90; 120 | 151.801 | Jayaraj, M.K.; Tate, J.; Nagarajan, R.; Sleight, A.W.; Uma, S. New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure Solid State Sciences, 2002, 4, 787-792 |
1509494 | CIF | Ag O2 Sb0.294 Zn0.706 | R -3 m :H | 3.1075; 3.1075; 18.721 90; 90; 120 | 156.56 | Tate, J.; Uma, S.; Sleight, A.W.; Jayaraj, M.K.; Nagarajan, R. New Cu M2/3 Sb1/3 O2 and Ag M2/3 Sb1/3 O2 compounds with the delafossite structure Solid State Sciences, 2002, 4, 787-792 |
1509495 | CIF | Ag O2 Sc | P 63/m m c | 3.2306; 3.2306; 12.3771 90; 90; 120 | 111.871 | Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1509496 | CIF | Ag O2 Y | P 63/m m c | 3.5177; 3.5177; 12.4425 90; 90; 120 | 133.339 | Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1509689 | CIF | Ag2 O2 Pb | I 1 2/c 1 | 6.082; 8.715; 6.556 90; 93.69; 90 | 346.778 | Evers, L.; Bystroem, A. The crystal structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 613-627 |
1509925 | CIF | Ag5 O6 Pb2 | P 3 1 m | 5.939; 5.939; 6.428 90; 90; 120 | 196.351 | Evers, L.; Bystroem, A. The Crystal Structures of Ag2 Pb O2 and Ag5 Pb2 O6 Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 613-627 |
1510052 | CIF | Ag3.38 Al3.7 O24 Si8.3 | C 1 2/m 1 | 19.24; 13.771; 11.868 90; 113.28; 90 | 2888.47 | Randaccio, L.; Nardin, G.; Mezzetti, A.; Calligaris, M. Cation sites and framework deformations in dehydrated chabazites. Crystal structure of a fully silver-exchanged chabazite. Zeolites, 1984, 4, 323-328 |
1510152 | CIF | Au Ga O2 | P 63/m m c | 3.0427; 3.0427; 12.4836 90; 90; 120 | 100.09 | Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1510192 | CIF | Au In O2 | P 63/m m c | 3.3654; 3.3654; 12.6394 90; 90; 120 | 123.974 | Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1510262 | CIF | Au O2 Sc | P 63/m m c | 3.2471; 3.2471; 12.3784 90; 90; 120 | 113.028 | Kandpal, H.C.; Seshadri, R. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1510263 | CIF | Au O2 Y | P 63/m m c | 3.5549; 3.5549; 12.2898 90; 90; 120 | 134.502 | Seshadri, R.; Kandpal, H.C. First-principles electronic structure of the delafossites A B O2 (A= Cu, Ag, Au; B = Al, Ga, Sc, In, y): evolution of d(10)-d(10) interactions Solid State Sciences, 2002, 4, 1045-1052 |
1510302 | CIF | Au Sn Sr | P n m a | 23.414; 4.818; 8.267 90; 90; 90 | 932.589 | Trill, H.; Niepmann, D.; Mosel, B.D.; Kussmann, D.; Poettgen, R.; Hoffmann, R.D. Transition metal tin ordering in Sr Pt Sn, Sr Au Sn and Ba Au Sn and 119Sn Moessbauer spectroscopy of Ca Pd Sn, Ca Pt Sn and Sr Au Sn Solid State Sciences, 2002, 4, 481-487 |
1510375 | CIF | Au2 Cd2 Cs2 S4 | C m m a | 6.5833; 14.055; 6.0369 90; 90; 90 | 558.584 | Axtell, E.A.; Kanatzidis, M.G. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = Rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal, 1998, 4, 2435-2441 |
1510376 | CIF | Au2 Cd2 Rb2 S4 | P c c a | 13.93; 5.757; 6.742 90; 90; 90 | 540.675 | Kanatzidis, M.G.; Axtell, E.A. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal, 1998, 4, 2435-2441 |
1510535 | CIF | Au4 Cd K2 S4 | I b a m | 10.568; 6.973; 14.69 90; 90; 90 | 1082.52 | Axtell, E.A.; Kanatzidis, M.G. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) andK2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal, 1998, 4, 2435-2441 |
1510608 | CIF | Au0.2 Ir0.55 Os0.25 | F m -3 m | 3.824; 3.824; 3.824 90; 90; 90 | 55.918 | Zvyagintsev, O.S. Ein neues, Metalle der Platingruppe enthaltendes Mineral Comptes Rendus de l'Academie des Sciences de l'URSS, 1934, 4, 176-179 |
1511002 | CIF | B2 Co2 O5 | P -1 | 3.16; 5.94; 8.95 103.9; 91; 92 | 162.918 | Berger, S.V. The crystal structure of cobaltpyroborate Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 1054-1065 |
1511236 | CIF | B Mn | P n m a | 5.56; 2.977; 4.145 90; 90; 90 | 68.609 | Kiessling, R. The borides of manganese Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 146-159 |
1511237 | CIF | B Mn2 | I 4/m c m | 5.148; 5.148; 4.208 90; 90; 90 | 111.52 | Kiessling, R. The borides of manganese Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 146-159 |
1511254 | CIF | B Nb | C m c m | 3.298; 8.724; 3.166 90; 90; 90 | 91.091 | Kiessling, R.; Andersson, L. Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase 'TiB' in the titanium boron system Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 160-160 |
1511342 | CIF | B1.28 O64 Si30.72 | C 1 2/m 1 | 9.659; 20.461; 9.831 90; 96.58; 90 | 1930.13 | Marler, B.; Vortmann, S.; Daniels, P.; Gies, H. Synthesis and crystal structure of the new borosilicate zeolite RUB-13 Microporous Materials, 1995, 4, 111-121 |
1511374 | CIF | B10 Na5.88 Se18 | I 41/a c d :2 | 15.128; 15.128; 27.955 90; 90; 90 | 6397.68 | Lindemann, A.; Doech, M.; Hammerschmidt, A.; Krebs, B. Na6 B10 Se18: a novel selenoborate with a 3D polymeric anion structure Solid State Sciences, 2002, 4, 1449-1455 |
1511403 | CIF | B13 Cs3 O21 | C 1 2/c 1 | 23.064; 13.367; 24.464 90; 90.281; 90 | 7542.08 | Nowogrocki, G.; Touboul, M.; Penin, N.; Seguin, L. A new cesium borate Cs3 B13 O21 Solid State Sciences, 2002, 4, 67-76 |
1511484 | CIF | B4 Mn3 | I m m m | 3.032; 12.86; 2.96 90; 90; 90 | 115.415 | Kiessling, R. The borides of manganese Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 146-159 |
1511490 | CIF | B4 Nb3 | I m m m | 3.305; 14.82; 3.137 90; 90; 90 | 153.651 | Kiessling, R.; Andersson, L.H. Investigations on the binary systems of boron with chromium, columbium, nickel and thorium including a discussion of the phase "TiB" in the titanium boron system Acta Chemica Scandinavica (1-27,1973-42,1988), 1950, 4, 160-160 |
1511540 | CIF | B5 Cs O8 | P 1 21/c 1 | 7.122; 9.64; 11.411 90; 116.64; 90 | 700.266 | Bubnova, R.S.; Anderson, J.E.; Filatov, S.K.; Fundamenskii, V.S. New layered polyanion in alpha-(Cs B5 O8) high-temperature modification Solid State Sciences, 2002, 4, 87-91 |
1511684 | CIF | B7 O12 Rb3 | P -1 | 6.603; 6.632; 30.085 91.183; 91.781; 119.293 | 1147.46 | Krivovichev, S.V.; Filatov, S.K.; Shakhverdova, I.P.; Burns, P.C.; Krzhizhanovskaya, M.G.; Polyakova, I.G.; Bubnova, R.S. Synthesis, crystal structure and thermal behavior of Rb3 B7 O12, a new compound Solid State Sciences, 2002, 4, 985-992 |
1511695 | CIF | B8 La9 Na3 O27 | P -6 2 m | 8.9033; 8.9033; 8.7131 90; 90; 120 | 598.143 | Peshev, P.; Gravereau, P.; Nikolov, V.; Pechev, S.; Chaminade, J.P.; Ivanova, D. Na3 La9 O3 (B O3)8, a new oxyborate in the ternary system (Na2 O) - (La2 O3) - (B2 O3) : preparation and crystal structure Solid State Sciences, 2002, 4, 993-998 |
1513042 | CIF | C14 H21 N2 O4 | P 1 21/n 1 | 11.024; 9.29; 29.254 90; 98.054; 90 | 2966.4 | Ivanova, Bojidarka Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
1513043 | CIF | C8 H8 O3 | P b c a | 9.9537; 9.6632; 16.173 90; 90; 90 | 1555.6 | Ivanova, Bojidarka Matrixes in UV-MALDI Mass spectrometry crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
1513044 | CIF | C24 H34 Cl0 N2 O8 | P 21 21 21 | 7.711; 12.974; 23.865 90; 90; 90 | 2387.5 | Ivanova, Bojidarka Matrixes in UV-MALDI Mass spectrometry crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
1513596 | CIF | C17 H26 F6 Fe N4 O6 S2 | P 21 21 21 | 8.9413; 15.7005; 17.7436 90; 90; 90 | 2490.9 | Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M. Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4 Catalysis Science & Technology, 2014, 4, 708 |
1513597 | CIF | C13 H14 N4 O5 | P -1 | 8.964; 9.189; 11.432 69.34; 89.43; 80.99 | 869.2 | Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology, 2014, 4, 822 |
1513598 | CIF | C20 H15 N2 O7 | P -1 | 7.8507; 8.48; 15.77 96.715; 90.412; 109.096 | 984.1 | Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology, 2014, 4, 822 |
1513599 | CIF | C22 H22 N4 O7 | P -1 | 8.549; 11.18; 12.73 91.165; 104.363; 110.189 | 1098.7 | Pradhan, Koyel; Paul, Sanjay; Das, Asish R. Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media Catalysis Science & Technology, 2014, 4, 822 |
1513600 | CIF | C22 H30 F6 Mn N4 O7 S2 | P 21 21 21 | 9.3603; 17.4152; 18.206 90; 90; 90 | 2967.8 | Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E. Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins Catalysis Science & Technology, 2014, 4, 208 |
1513601 | CIF | C22 H30 F6 Mn N4 O7 S2 | P 21 21 21 | 9.3527; 17.384; 18.184 90; 90; 90 | 2956.5 | Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E. Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins Catalysis Science & Technology, 2014, 4, 208 |
1513602 | CIF | C38 H65 Cl N2 O3 Rh Si | P -1 | 10.2529; 12.602; 16.39 73.082; 87.303; 89.419 | 2023.8 | Lázaro, Guillermo; Fernández-Alvarez, Francisco J.; Iglesias, Manuel; Horna, Cristina; Vispe, Eugenio; Sancho, Rodrigo; Lahoz, Fernando J.; Iglesias, Marta; Pérez-Torrente, Jesús J.; Oro, Luis A. Heterogeneous catalysts based on supported Rh‒NHC complexes: synthesis of high molecular weight poly(silyl ether)s by catalytic hydrosilylation Catalysis Science & Technology, 2014, 4, 62 |
1513603 | CIF | C36 H48 Cl4 Fe2 N8 O23 | P -1 | 11.754; 28.117; 30.475 84.09; 84.78; 87.29 | 9969 | Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies Catalysis Science & Technology, 2014, 4, 30 |
1513604 | CIF | C27 H22 Cl3 N6 O6 Ru | P b c a | 19.3405; 11.3692; 25.8709 90; 90; 90 | 5688.6 | Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology, 2014, 4, 190 |
1513605 | CIF | C268 H204 Cl4 F96 N48 P16 Ru8 | P 1 21/n 1 | 26.0256; 52.12; 28.8286 90; 91.92; 90 | 39083 | Aguiló, Joan; Francàs, Laia; Liu, Hai Jie; Bofill, Roger; García-Antón, Jordi; Benet-Buchholz, Jordi; Llobet, Antoni; Escriche, Lluís; Sala, Xavier Characterization and performance of electrostatically adsorbed Ru‒Hbpp water oxidation catalysts Catalysis Science & Technology, 2014, 4, 190 |
1513836 | CIF | C22 H37 N20 O41 W10 | P 1 21/c 1 | 14.477; 10.8678; 21.627 90; 122.78; 90 | 2860.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
1513837 | CIF | C14 H22 N8 O25 W6 | C 1 2/c 1 | 16.81; 13.0514; 15.675 90; 109.73; 90 | 3237.1 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
1513838 | CIF | C21 H45 N12 O46.5 W10 | P -1 | 13.4905; 15.1707; 17.0692 79.594; 89.386; 70.001 | 3223.8 | Kulikov, Vladislav; Meyer, Gerd Polyoxotungstates in Molecular Boxes of Purine Bases Crystals, 2014, 4, 64 |
1514273 | CIF | C55 H55 Cl2 N2 P Pd | P 1 21 1 | 12.669; 12.248; 31.45 90; 90.014; 90 | 4880 | Crawford, Katherine A.; Cowley, Alan H.; Humphrey, Simon M. Bis(imino)acenaphthene (BIAN)-supported palladium(ii) carbene complexes as effective C‒C coupling catalysts and solvent effects in organic and aqueous media Catalysis Science & Technology, 2014, 4, 1456 |
1514340 | CIF | C8 H18 O4 Si2 | P 1 21/n 1 | 10.5425; 11.9183; 11.4221 90; 108.364; 90 | 1362.08 | Feghali, Elias; Jacquet, Olivier; Thuéry, Pierre; Cantat, Thibault Catalytic hydrosilylation of oxalic acid: chemoselective formation of functionalized C2-products Catalysis Science & Technology, 2014, 4, 2230 |
1514374 | CIF | C13 H12 N2 O4 Pd | P n a 21 | 10.919; 23.8725; 4.8372 90; 90; 90 | 1260.88 | Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology, 2014, 4, 2526 |
1514375 | CIF | C12 H12 N2 O5 Pd S | P 1 21/c 1 | 19.681; 7.1866; 20.443 90; 107.332; 90 | 2760.2 | Dornan, Laura M.; Clendenning, Gráinne M. A.; Pitak, Mateusz B.; Coles, Simon J.; Muldoon, Mark J. N,O-ligated Pd(ii) complexes for catalytic alcohol oxidation Catalysis Science & Technology, 2014, 4, 2526 |
1514378 | CIF | C55 H42 B F22 N P2 Pt | P 1 21/n 1 | 15.6555; 18.868; 18.2423 90; 98.761; 90 | 5325.7 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514379 | CIF | C54 H39 B F23 N P2 Pt | P 1 21/c 1 | 15.495; 18.673; 22.444 90; 125.955; 90 | 5256.7 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514380 | CIF | C25 H35 B11 Cl12 F2 N P2 Pt | P 1 21/c 1 | 19.446; 15.82; 15.256 90; 107.781; 90 | 4469 | DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science, 2013, 4, 642 |
1514381 | CIF | C30 H22 B F2 N5 | P -1 | 11.9663; 12.5933; 19.2781 76.089; 85.2516; 62.9902 | 2511.2 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514382 | CIF | C30.5 H24 B Cl F2 N4 | C 1 2/c 1 | 33.428; 11.5134; 13.9925 90; 111.419; 90 | 5013.4 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514383 | CIF | C32 H27 B F2 N4 | P -1 | 12.0332; 14.8026; 15.5572 89.0111; 83.545; 72.8575 | 2630.8 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514384 | CIF | C40 H43 B F2 N4 | P -1 | 10.7533; 13.3999; 24.5025 91.7881; 95.0164; 100.258 | 3457 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514385 | CIF | C36 H35 B F2 N4 | P 1 21/n 1 | 15.7903; 11.9086; 15.8933 90; 94.469; 90 | 2979.5 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514386 | CIF | C28.5 H18 B Cl3 F2 N4 | I 1 2/a 1 | 14.0731; 11.5359; 31.2056 90; 93.7226; 90 | 5055.41 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514387 | CIF | C45 H68 Ca Cl2 F3 Fe N4 O15 S4 | P -1 | 14.2376; 14.5557; 16.0245 112.035; 96.1392; 107.982 | 2832.94 | Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S. Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 717-726 |
1514388 | CIF | C45 H68 Cl2 F3 Fe N4 O15 S4 Sr | P 1 21/c 1 | 8.7949; 28.7099; 22.444 90; 98.6131; 90 | 5603.2 | Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S. Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 717-726 |
1514389 | CIF | C50 H78 Ba F3 Fe N4 O17 S4 | P -1 | 12.9433; 14.8169; 18.2751 110.991; 91.9057; 105.868 | 3113.7 | Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S. Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 717-726 |
1514390 | CIF | C46 H70 Cl4 F3 Mn N4 O15 S4 Sr | P -1 | 13.9061; 15.1055; 16.262 68.7445; 75.3429; 74.3805 | 3019.7 | Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S. Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 717-726 |
1514391 | CIF | C45 H68 Ca Cl2 F3 Ga N4 O15 S4 | P -1 | 14.3885; 14.7196; 15.8403 112.801; 97.8526; 106.385 | 2850.07 | Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S. Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 717-726 |
1514392 | CIF | C42 H56 Cl N O5 | P 1 21/c 1 | 11.4992; 24.3436; 15.0944 90; 112.268; 90 | 3910.3 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514393 | CIF | C16 H20 Cl N O | P 21 21 21 | 5.1885; 14.53; 19.501 90; 90; 90 | 1470.2 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514394 | CIF | C24 H18 Cl N O4 | P 21 21 21 | 7.8652; 13.56; 19.207 90; 90; 90 | 2048.5 | Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science, 2013, 4, 622 |
1514395 | CIF | C51 H33 N7 O20 Zn3 | P -3 1 c | 16.49; 16.49; 14.05 90; 90; 120 | 3308.6 | Park, Hye Jeong; Suh, Myunghyun Paik Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions Chemical Science, 2013, 4, 685 |
1514396 | CIF | C84 H90 N2 Pt | P 1 21/c 1 | 19.1854; 19.6691; 24.6274 90; 108.482; 90 | 8814.1 | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science, 2013, 4, 770 |
1514397 | CIF | C102.5 H113 Cl N2 Pt | P -1 | 12.0941; 15.39; 25.2421 101.259; 98.6734; 111.101 | 4171.5 | Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science, 2013, 4, 770 |
1514398 | CIF | C75 H81 Cu3 N16 O3 Y | P -1 | 14.2953; 18.3037; 20.8565 75.534; 71.127; 74.087 | 4887.5 | Lionetti, Davide; Day, Michael W.; Agapie, Theodor Metal-Templated Ligand Architectures for Trinuclear Chemistry: Tricopper Complexes and Their O2 Reactivity. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 785-790 |
1514399 | CIF | C12 H20 O6 | P 1 21/c 1 | 6.0689; 11.699; 19.4385 90; 98.695; 90 | 1364.3 | Ley, David; Gerbig, Dennis; Schreiner, Peter R. Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene Chemical Science, 2013, 4, 677 |
1514400 | CIF | C48 F40 N4 U | C 1 2/c 1 | 23.5319; 12.9011; 16.0719 90; 106.846; 90 | 4669.8 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514401 | CIF | C48 H20 F20 N4 U | C 1 2/c 1 | 38.651; 12.3736; 19.957 90; 99.992; 90 | 9399.7 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514402 | CIF | C44 H16 F30 N3 O2 U | P -1 | 11.0728; 11.7379; 20.3378 79.419; 80.189; 84.54 | 2554.81 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514403 | CIF | C88.5 H66 F18 N3 O2 P2 U | P -1 | 13.4814; 16.1925; 19.0979 76.559; 87.948; 84.674 | 4036.9 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514404 | CIF | C14 H9 F6 N | P c a 21 | 10.0174; 15.9406; 7.9776 90; 90; 90 | 1273.89 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514405 | CIF | C26 H32 F6 K N O3 | P -1 | 10.8866; 11.9211; 12.8559 111.365; 100.052; 109.196 | 1382.79 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514406 | CIF | C16 H10 F10 K N O | P -1 | 8.4008; 10.5747; 11.1333 77.131; 69.962; 75.663 | 889.84 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514407 | CIF | C66 H42 F25 K N6 U | P 1 21/c 1 | 24.2328; 12.7508; 24.1585 90; 109.123; 90 | 7052.8 | Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science, 2013, 4, 798 |
1514408 | CIF | C34 H18 Ir0.11 N4 O8 Zn2 | P -1 | 14.0368; 15.1189; 15.1242 85.358; 85.555; 86.35 | 3184.2 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514409 | CIF | C26 H8 N10 O8 Rh Zn2 | P 4/m m m | 15.093; 15.093; 9.62 90; 90; 90 | 2191.4 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514410 | CIF | C36 H21 N4 O8 Rh0.15 Zn2 | P -1 | 14.0869; 15.1333; 15.1402 86.517; 87.286; 86.896 | 3213.8 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514411 | CIF | C24 H8 Ir0.29 N6 O8 Zn2 | P 4/m m m | 15.093; 15.093; 9.62 90; 90; 90 | 2191.4 | Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science, 2013, 4, 601 |
1514412 | CIF | C25 H23 P Si | P -1 | 11.2823; 16.8988; 22.9869 81.236; 79.739; 81.615 | 4230.32 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514413 | CIF | C50 H70 Li2 N2 P2 Si4 | C 1 c 1 | 18.8666; 22.2888; 25.4992 90; 100.652; 90 | 10538 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514414 | CIF | C64 H86 Ca N2 P2 Si4 | C 1 2/c 1 | 30.6079; 12.39475; 22.0579 90; 128.948; 90 | 6508.1 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514415 | CIF | C31 H52 N2 P Si4 Y | P 1 21/c 1 | 11.1459; 20.7732; 16.6276 90; 100.782; 90 | 3781.92 | Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science, 2013, 4, 691 |
1514416 | CIF | C159 H60 I2 N2 O20 | P -1 | 11.569; 12.623; 20.413 97.57; 102.49; 113.57 | 2587.1 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514417 | CIF | C71 H17 Cl6 N O8 | P -1 | 14.3061; 14.457; 15.4664 76.592; 66.58; 61.681 | 2580.3 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514418 | CIF | C65 H5 N O5 | P 1 2/c 1 | 18.742; 13.442; 18.553 90; 114.4; 90 | 4256.6 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514419 | CIF | C67 H6 Cl6 I N O5 | P -1 | 12.754; 12.843; 14.63 78.32; 82.27; 68.22 | 2174.6 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514420 | CIF | C68 H9 N O7 | P 1 2/c 1 | 19.163; 13.468; 18.553 90; 114.32; 90 | 4363 | Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science, 2013, 4, 814 |
1514421 | CIF | C80 H114 N8 O8 S4 Yb2 | P 1 21/n 1 | 11.3252; 14.7748; 24.3057 90; 90.686; 90 | 4066.7 | Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies Chemical Science, 2013, 4, 747 |
1514422 | CIF | C36 H40 Co K O4 | P 1 21/c 1 | 15.4085; 20.2602; 21.0264 90; 102.87; 90 | 6399.1 | Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel Highly chemoselective cobalt-catalyzed biaryl coupling reactions Chemical Science, 2013, 4, 776 |
1514423 | CIF | C136 Cl16 Dy2 N8 O74 Si2 W20 | P 1 21/n 1 | 15.3062; 47.6192; 15.6327 90; 108.576; 90 | 10800.6 | Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science, 2013, 4, 596 |
1514424 | CIF | C136 Cl16 Gd2 N8 O74 Si2 W20 | P 1 21/n 1 | 15.2981; 47.7123; 15.6288 90; 108.609; 90 | 10811.2 | Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science, 2013, 4, 596 |
1514425 | CIF | C32 H41 Au Cl2 N2 O2 | P 1 21/n 1 | 12.2769; 12.2829; 22.2697 90; 91.868; 90 | 3356.4 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514426 | CIF | C35 H46 Au Cl2 N3 O | P 1 21/n 1 | 10.2357; 12.3159; 28.5345 90; 96.224; 90 | 3575.91 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514427 | CIF | C36.25 H47.5 Au Cl F3 N3 O4 S | P 41 | 27.6; 27.6; 21.2131 90; 90; 90 | 16159.3 | Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science, 2013, 4, 1552 |
1514428 | CIF | C66 H74 F6 N6 O10 P2 | P -1 | 14.9639; 16.2074; 16.6904 68.074; 65.602; 86.227 | 3400.9 | Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong Phosphine oxide functional group based three-station molecular shuttle Chemical Science, 2013, 4, 1701 |
1514429 | CIF | C14 H10 Br N O4 | P 1 21 1 | 11.8419; 6.5568; 20.7441 90; 102.819; 90 | 1570.53 | Lathrop, Stephen P.; Rovis, Tomislav A photoisomerization-coupled asymmetric Stetter reaction: application to the total synthesis of three diastereomers of (-)-cephalimysin A. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 1668 |
1514430 | CIF | C66 H111 Cu3 N19 O35 | I 4/m | 30.926; 30.926; 45.103 90; 90; 90 | 43137 | Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework Chemical Science, 2013, 4, 1731 |
1514431 | CIF | C62 H44 Br4 N8 O7 | P b c a | 19.744; 19.587; 32.31 90; 90; 90 | 12495 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514432 | CIF | C46 H48 F24 N8 O2 P4 | C 1 2/c 1 | 22.03; 27.145; 10.285 90; 116.38; 90 | 5510 | Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science, 2013, 4, 1765 |
1514433 | CIF | C11 H16 Co N6 O3 | I 41/a :2 | 17.243; 17.243; 20.157 90; 90; 90 | 5993 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514434 | CIF | C9 H15 Co N5 O3 | I 41/a :2 | 15.7869; 15.7869; 22.328 90; 90; 90 | 5564.7 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514435 | CIF | C10 H14 Co N5 O2.5 | I 41/a :2 | 15.852; 15.852; 22.346 90; 90; 90 | 5615 | Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science, 2013, 4, 1746 |
1514436 | CIF | C37 H58 Mg N2 O | P -1 | 9.1792; 12.119; 15.8077 85.527; 77.912; 87.404 | 1713.51 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514437 | CIF | C38 H59 Mg N3 | P 1 21/n 1 | 9.0121; 20.1333; 19.8758 90; 91.504; 90 | 3605.09 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514438 | CIF | C40 H53 Mg N3 O2 | R 3 m :H | 32.394; 32.394; 11.017 90; 90; 120 | 10012 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514439 | CIF | C78 H104 Mg2 N6 S2 | P 1 21/n 1 | 13.5757; 14.4034; 18.932 90; 92.2137; 90 | 3699.1 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514440 | CIF | C48 H60 Mg N4 O1.25 S2 | P 1 21/n 1 | 18.964; 12.505; 38.624 90; 96.385; 90 | 9103 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514441 | CIF | C80 H110 Mg2 N8 | P 1 21/n 1 | 12.703; 21.654; 13.282 90; 90.01; 90 | 3653.5 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514442 | CIF | C42.5 H61.5 Mg N4 | P 1 21/n 1 | 14.0179; 13.5976; 21.7756 90; 96.842; 90 | 4121.08 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
1514443 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.36; 29.36; 20.776 90; 90; 120 | 15510 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514444 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.87; 29.87; 12.0337 90; 90; 120 | 9298 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514445 | CIF | C72 H43 N6 Ni3 O13 | R -3 c :H | 29.884; 29.884; 11.8868 90; 90; 120 | 9193 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514446 | CIF | C82 H83 N6 Ni3 O23 | R -3 c :H | 29.347; 29.347; 21.287 90; 90; 120 | 15877 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514447 | CIF | C90 H115 N6 Ni3 O31 | R -3 c :H | 29.368; 29.368; 20.868 90; 90; 120 | 15586.9 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514448 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.05; 29.05; 24.502 90; 90; 120 | 17907 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514449 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.106; 29.106; 23.417 90; 90; 120 | 17180 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514450 | CIF | C108 H127 N18 Ni3 O25 | R -3 c :H | 29.151; 29.151; 23.07 90; 90; 120 | 16978 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514451 | CIF | C109.5 H80.5 N13.5 Ni3 O13 | R -3 c :H | 28.548; 28.548; 26.592 90; 90; 120 | 18769 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514452 | CIF | C57 H34 Co3 N3 O13 | R -3 c :H | 19.4312; 19.4312; 45.631 90; 90; 120 | 14920.7 | Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science, 2013, 4, 1539 |
1514453 | CIF | C29 H30 O3 Si | P c a 21 | 25.2196; 11.8584; 8.5478 90; 90; 90 | 2556.34 | Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science, 2013, 4, 1547 |
1514454 | CIF | C18 H32 Cl3 Gd N4 O10 | P -1 | 8.8714; 11.147; 14.5317 102.922; 93.887; 91.677 | 1395.96 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514455 | CIF | C19 H24 Er N7 O14 | P 1 21/c 1 | 13.0075; 14.8207; 13.9166 90; 102.653; 90 | 2617.7 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514456 | CIF | C9 H12 N5 O12 Y | P -1 | 7.4349; 10.63; 11.657 68.02; 88.31; 87.44 | 853.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514457 | CIF | C18 H32 Cl3 N4 O10 Tb | P -1 | 8.849; 11.157; 14.564 103.13; 93.56; 91.72 | 1396.1 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514458 | CIF | C18 H32 Cl3 Dy N4 O10 | P -1 | 8.846; 11.148; 14.527 102.85; 93.52; 91.86 | 1392.5 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514459 | CIF | C18 H32 Cl3 Ho N4 O10 | P -1 | 8.87; 11.12; 14.439 102.36; 93.95; 91.96 | 1386.1 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514460 | CIF | C18 H32 Cl3 Er N4 O10 | P -1 | 8.8067; 11.1745; 14.5412 103.075; 93.297; 91.942 | 1389.98 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514461 | CIF | C18 H32 Cl3 N4 O10 Y | P -1 | 8.819; 11.149; 14.491 102.91; 93.47; 91.88 | 1384.7 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514462 | CIF | C19 H24 N7 O14 Tb | P 1 21/c 1 | 13.0909; 14.851; 13.916 90; 102.875; 90 | 2637.4 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514463 | CIF | C19 H24 Dy N7 O14 | P 1 21/c 1 | 13.09; 14.792; 13.965 90; 102.88; 90 | 2636 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514464 | CIF | C19 H24 Ho N7 O14 | P 1 21/c 1 | 13.0407; 14.8401; 13.9335 90; 102.721; 90 | 2630.3 | Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science, 2013, 4, 1719 |
1514465 | CIF | C10 H24 Br2 Ni P2 | P 1 21/c 1 | 8.707; 13.3165; 13.7802 90; 100.665; 90 | 1570.17 | Bryan, Zachary J.; McNeil, Anne J. Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations Chemical Science, 2013, 4, 1620 |
1514466 | CIF | C22 H24 Cl2 N2 O Os S | P 1 21/c 1 | 14.4797; 11.9305; 13.1126 90; 98.591; 90 | 2239.8 | Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science, 2013, 4, 1837 |
1514467 | CIF | C25 H29 Cl2 F N2 O Ru S | P 1 21/n 1 | 14.0346; 8.6278; 22.7026 90; 90.353; 90 | 2749 | Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science, 2013, 4, 1837 |
1514468 | CIF | C108 H116 Br6 Co4 N11 O16 | P 21 21 21 | 12.6611; 19.0777; 47.5848 90; 90; 90 | 11493.8 | Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier Chemical Science, 2013, 4, 1802 |
1514469 | CIF | C132 H136 B8 Cl28 Fe4 N32 O36 Re4 | P -1 | 16.163; 20.152; 20.252 93.07; 90.55; 110.44 | 6169 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514470 | CIF | C42 H48 B2 Fe N8 O6 | C 1 2/c 1 | 23.705; 9.3657; 20.454 90; 118.68; 90 | 3983.9 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514471 | CIF | C56 H70 B4 Cl10 Fe2 N14 O12 | P -1 | 10.235; 10.862; 16.008 97.163; 98.93; 93.02 | 1739.6 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514472 | CIF | C56 H48 B2 Fe N8 O14 Zn2 | C 1 2/m 1 | 24.166; 18.52; 21.805 90; 105.6; 90 | 9399 | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science, 2013, 4, 1658 |
1514473 | CIF | C7 H5 Cu2 I N4 S | I a -3 d | 41.856; 41.856; 41.856 90; 90; 90 | 73329 | Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character Chemical Science, 2013, 4, 1484 |
1514474 | CIF | C15 H18 O6 | C 1 2/c 1 | 13.7664; 9.367; 10.8858 90; 99.268; 90 | 1385.4 | Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science, 2013, 4, 1615 |
1514475 | CIF | C19 H32 O7 | P 1 21/c 1 | 9.1857; 10.7306; 17.807 90; 94.071; 90 | 1750.8 | Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science, 2013, 4, 1615 |
1514476 | CIF | C31 H28 Cl0 Co F12 N6 P2 | P -1 | 11.462; 12.501; 13.164 109.79; 108.38; 90.82 | 1668.73 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514477 | CIF | C53 H45 B Co N5 | P -1 | 10.9829; 13.7142; 17.0064 102.458; 107.971; 101.25 | 2282.8 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514478 | CIF | C33 H28 Cl0 Co F6 N5 O8 S2 | P -1 | 11.94; 12.822; 15.328 65.696; 78.915; 66.557 | 1960.99 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514479 | CIF | C144 H130 B4 Co4 F40 N30 O24 S8 | C 1 c 1 | 17.791; 16.341; 27.415 90; 97.47; 90 | 7902.52 | King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science, 2013, 4, 1578 |
1514480 | CIF | C55 H68 B4 F16 N16 O4 | P 1 21/n 1 | 15.7015; 12.8679; 18.0196 90; 105.064; 90 | 3515.66 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514481 | CIF | C54 H64 B F4 N16 O7 P2 | P 1 21/c 1 | 19.726; 15.697; 22.564 90; 101.404; 90 | 6849 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514482 | CIF | C162 H200 B8 F32 N48 O16 P4 | P 1 21/n 1 | 20.554; 16.552; 31.568 90; 93.445; 90 | 10720 | Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L. A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media Chemical Science, 2013, 4, 1560 |
1514483 | CIF | C57 H74 Cl4 Cu2 N4 S2 | C 2 2 21 | 14.073; 21.02; 19.083 90; 90; 90 | 5645 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514484 | CIF | C58 H76 Cl4 Cu2 N4 S2 | C 1 2/c 1 | 52.089; 8.9421; 35.545 90; 129.297; 90 | 12813 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514485 | CIF | C35 H43 Cl2 Cu N2 S | P 1 21/c 1 | 9.26; 24.43; 15.506 90; 100.133; 90 | 3453 | Zhang, Shiyu; Warren, Timothy H. Three coordinate models for the binuclear CuA electron-transfer site Chemical Science, 2013, 4, 1786 |
1514486 | CIF | C18 H18 Cl D2 N3 O2 | P b c a | 18.9604; 9.3522; 19.2687 90; 90; 90 | 3416.8 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514487 | CIF | C19 H20 Cl D2 N3 O2 | P b c a | 19.2697; 9.5129; 19.6896 90; 90; 90 | 3609.3 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514488 | CIF | C18 H17 Cl D2 F N3 O2 | P b c a | 18.8845; 9.4266; 19.2915 90; 90; 90 | 3434.2 | Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D. Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent Chemical Science, 2013, 4, 1514 |
1514489 | CIF | C35 H48 Cl2 Fe N O2 | P 1 21/n 1 | 10.1903; 12.5783; 27.2498 90; 96.4952; 90 | 3470.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514490 | CIF | C40 H76 Fe N3 O2 Si4 | P 1 21/c 1 | 11.9269; 17.5744; 24.1583 90; 111.583; 90 | 4708.7 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514491 | CIF | C75.5 H98 Cl8 Fe2 N2 O8 | P -1 | 14.8709; 15.747; 17.9214 94.0663; 111.428; 95.5142 | 3863 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514492 | CIF | C43 H55 Cl4 Fe N2 O5 | P 1 21/n 1 | 12.6068; 24.431; 16.6177 90; 111.803; 90 | 4752.1 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514493 | CIF | C66 H90 Fe2 N4 O4 | P 1 21/c 1 | 14.1943; 14.2798; 17.1104 90; 113.995; 90 | 3168.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514494 | CIF | C45 H58 Fe N5 O2 | P 1 21 1 | 14.0101; 15.7187; 19.934 90; 97.6912; 90 | 4350.4 | Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F. Disulfide reductive elimination from an iron(iii) complex Chemical Science, 2013, 4, 1906 |
1514495 | CIF | C26 H27 Cu3 N8 O0 | P -1 | 11.4287; 11.7031; 12.918 64.005; 89.783; 71.129 | 1450.1 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514496 | CIF | C20 H21 Cu3 N8 O0 | P -1 | 11.4262; 11.4509; 12.5243 66.62; 89.182; 69.908 | 1398.37 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514497 | CIF | C22 H26 Cu3 N8 O2 | P -1 | 11.4964; 11.3571; 12.9352 115.386; 91.133; 69.305 | 1409.92 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514498 | CIF | C22 H26 Cu3 N8 O2 | P -1 | 11.5152; 11.312; 12.6953 114.171; 91.497; 68.347 | 1386.93 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514499 | CIF | C24 H29 Cu3 N8 O2 | P -1 | 11.4723; 11.4569; 13.1199 64.295; 89.824; 110.147 | 1434.83 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514500 | CIF | C26 H33 Cu3 N8 | P -1 | 11.4507; 11.6026; 13.2025 65.36; 71.368; 71.461 | 1475.62 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514501 | CIF | C22 H24 Cu3 N9 O | P -1 | 11.37; 11.4274; 12.1912 67.952; 87.743; 69.803 | 1370.45 | Wang, Jun-Hao; Li, Mian; Li, Dan A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour Chemical Science, 2013, 4, 1793 |
1514503 | CIF | C15 Cl2 N5 Ni O8 | P 4/n m m :2 | 9.2584; 9.2584; 14.1473 90; 90; 90 | 1212.68 | Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 1502-1508 |
1514504 | CIF | C15 H33 Cl N5 Ni O6 | P 1 c 1 | 7.7299; 7.7263; 17.8514 90; 100.673; 90 | 1047.7 | Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 1502-1508 |
1514505 | CIF | C42 H44 F6 Ir N2 O2 P2 | P 63 | 19.437; 19.437; 18.1371 90; 90; 120 | 5934.13 | Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines Chemical Science, 2013, 4, 2760 |
1514506 | CIF | C26 H19 Br N2 O2 S | P 21 21 21 | 8.6182; 12.4254; 20.8694 90; 90; 90 | 2234.79 | Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science, 2013, 4, 2907 |
1514507 | CIF | C27 H19 N3 | P 1 21/c 1 | 12.6892; 9.9361; 16.3936 90; 102.515; 90 | 2017.81 | Li, Meiling; Woods, Philip A.; Smith, Martin D. Cation-directed enantioselective synthesis of quaternary-substituted indolenines Chemical Science, 2013, 4, 2907 |
1514508 | CIF | C72 H2 Cl16 | P -1 | 11.049; 13.43; 18.364 105.567; 91.091; 106.254 | 2507 | Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography Chemical Science, 2013, 4, 2967 |
1514509 | CIF | C368 H360 B16 Co8 F64 N72 O40 | C 1 2/c 1 | 27.658; 39.485; 42.581 90; 106.741; 90 | 44531 | Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D. Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts Chemical Science, 2013, 4, 2744 |
1514510 | CIF | C23 H21 N O6 | P 1 21 1 | 16.5029; 7.0004; 17.5337 90; 103.817; 90 | 1967 | Corbett, Michael T.; Johnson, Jeffrey S. Enantioselective synthesis of hindered cyclic dialkyl ethers via catalytic oxa-Michael/Michael desymmetrization. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2828-2832 |
1514511 | CIF | C28 H40 O6 | P 21 21 21 | 11.3881; 13.7611; 15.9461 90; 90; 90 | 2499 | Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl Withanolide A: synthesis and structural requirements for neurite outgrowth Chemical Science, 2013, 4, 2851 |
1514512 | CIF | C27 H29 Br2 N O4 | P 21 21 21 | 6.4731; 9.867; 41.104 90; 90; 90 | 2625.3 | Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L. Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2844-2850 |
1514513 | CIF | C21 H21 Br O4 | P 21 21 21 | 6.0402; 15.4144; 20.729 90; 90; 90 | 1930 | Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L. Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2844-2850 |
1514514 | CIF | C40 H52 Cl4 F24 N3 O8 P4 Rh2 | P 1 21/n 1 | 12.7242; 20.3878; 23.2389 90; 97.497; 90 | 5977.1 | Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G. Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2880 |
1514515 | CIF | C25 H26 Cl2 F25 N3 O8 P4 Rh2 | P 1 | 10.1595; 10.386; 12.0283 73.962; 69.049; 71.477 | 1104.74 | Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G. Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2880 |
1514516 | CIF | C26 H29 Cl2 F24 N3 O9 P4 Rh2 | P 1 21/c 1 | 12.0403; 19.3984; 20.6248 90; 106.961; 90 | 4607.7 | Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G. Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2880 |
1514517 | CIF | C25 H26 Cl4 F25 N3 O8 P4 Rh2 | P 1 21/c 1 | 12.2025; 21.385; 20.398 90; 98.351; 90 | 5266.4 | Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G. Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2880 |
1514518 | CIF | C33 H37 Cl4 F24 N3 O9 P4 Rh2 | P -1 | 10.7825; 15.2029; 18.7253 87.983; 80.065; 73.223 | 2894.5 | Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G. Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2880 |
1514519 | CIF | C62 H135 Mn Mo6 N6 O26 | P c c a | 23.3192; 28.2; 30.215 90; 90; 90 | 19869 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514520 | CIF | C94 H152 Mn Mo6 N9 O26 | P -1 | 18.0136; 26.3164; 26.5199 113.089; 102.13; 100.729 | 10790.7 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514521 | CIF | C80 H153 Mn Mo6 N8 O28 | P 1 21/c 1 | 27.455; 29.007; 24.974 90; 94.45; 90 | 19829 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514522 | CIF | C80 H155 Mn Mo6 N8 O29 | P n m a | 28.257; 21.8128; 16.5796 90; 90; 90 | 10219.1 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
1514523 | CIF | C19 H25 N O4 | P 1 21 1 | 8.3357; 11.294; 9.9646 90; 103.551; 90 | 912 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514524 | CIF | C19 H23 N O4 | P 1 21 1 | 7.3372; 22.647; 20.618 90; 90.112; 90 | 3426 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514525 | CIF | C13 H19 N O3 | P 1 21 1 | 9.0939; 30.695; 9.139 90; 94.405; 90 | 2543.5 | Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J. One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity Chemical Science, 2013, 4, 3845 |
1514526 | CIF | C17 H17 Cl3 N2 O3 | P -1 | 9.7614; 10.2988; 10.4722 80.745; 71.023; 89.009 | 981.91 | Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan Rh(iii)-catalyzed C‒H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones Chemical Science, 2013, 4, 3912 |
1514527 | CIF | C35 H61 B11 Br6 F P Ru Si | P -1 | 11.8239; 14.7954; 15.4075 99.322; 110.839; 91.577 | 2475.17 | Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation Chemical Science, 2013, 4, 3882 |
1514528 | CIF | C30.5 H23.25 Co F6 N5.75 O6 S2 | P -1 | 9.8107; 12.2952; 13.4212 93.235; 91.814; 91.35 | 1615.01 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514529 | CIF | C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 | P 1 21/n 1 | 11.605; 26.456; 12.584 90; 114.443; 90 | 3517.3 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514530 | CIF | C33 H27 Cu F6 N7 O6 S2 | P -1 | 9.9247; 13.1783; 14.849 66.577; 80.638; 81.873 | 1752.01 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514531 | CIF | C31 H24 F6 N6 O6 S2 Zn | P -1 | 9.829; 12.2969; 13.4196 92.874; 91.805; 91.232 | 1618.7 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514532 | CIF | C32 H23 Co F9 N6 O6 S2 | P -1 | 10.1178; 10.1848; 18.5692 93.06; 101.838; 106.548 | 1782.45 | Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R. Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe Chemical Science, 2013, 4, 3934 |
1514533 | CIF | C27 H23 Br2 N O6 | P 21 21 21 | 6.939; 18.9; 19.529 90; 90; 90 | 2561 | Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science, 2013, 4, 3857 |
1514534 | CIF | C16 H25 N O6 | P 1 21/c 1 | 9.8524; 15.9675; 10.5673 90; 92.813; 90 | 1660.43 | Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates Chemical Science, 2013, 4, 3857 |
1514535 | CIF | C37 H60 O6 | P 21 21 21 | 10.4149; 13.7246; 24.603 90; 90; 90 | 3516.8 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514536 | CIF | C38 H62 O9 | P 1 | 8.7254; 9.5176; 12.415 89.65; 80.46; 70.65 | 958 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514537 | CIF | C41 H71 Cl O5 Si | P 21 21 21 | 9.3808; 13.5353; 32.994 90; 90; 90 | 4189.3 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514538 | CIF | C34.5 H57 Cl O5 | P 1 21 1 | 11.2356; 11.9742; 24.8296 90; 93.447; 90 | 3334.46 | Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao Synthetic access toward the diverse ginsenosides Chemical Science, 2013, 4, 3899 |
1514539 | CIF | C43 H57 N5 Ni | P -1 | 10.911; 12.339; 15.869 103.994; 97.621; 107.921 | 1922.2 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514540 | CIF | C56 H77 N5 Ni | P 21 21 21 | 13.207; 17.694; 21.9242 90; 90; 90 | 5123.3 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514541 | CIF | C146 H136 B2 F40 N10 Ni2 | P -1 | 14.779; 15.5; 16.733 92.788; 98.247; 100.522 | 3718.6 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514542 | CIF | C27 H44 N4 Ni | F d d 2 | 17.8294; 42.047; 17.6823 90; 90; 90 | 13256 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514543 | CIF | C31 H49 N7 Ni | P -1 | 12.174; 26.324; 31.697 112.359; 99.666; 92.719 | 9191.6 | Harrold, Nicole D.; Hillhouse, Gregory L. Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand Chemical Science, 2013, 4, 4011 |
1514544 | CIF | C19 H20 Cl2 O4 | P 21 21 21 | 7.8057; 10.1854; 23.4262 90; 90; 90 | 1862.5 | Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J. Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones Chemical Science, 2013, 4, 3946 |
1514545 | CIF | C70.65 H64.63 Mn4 N7 O14.09 | P 1 21/c 1 | 19.5671; 12.5184; 27.8828 90; 106.461; 90 | 6549.9 | Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3986-3996 |
1514546 | CIF | C65.42 H49.25 F4.75 Mn4 N6 O15.58 S1.58 | P 1 21/n 1 | 12.305; 15.5248; 37.6815 90; 98.567; 90 | 7118.1 | Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3986-3996 |
1514547 | CIF | C72 H69 Mn4 N9 O14 | P -1 | 12.6007; 13.0991; 20.5699 99.263; 95.161; 94.247 | 3323.8 | Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3986-3996 |
1514548 | CIF | C78 H61 F3 Mn4 N10 O14 S | P 1 21/n 1 | 15.41; 24.64; 19.23 90; 103.16; 90 | 7110 | Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3986-3996 |
1514549 | CIF | C24 H20 N4 O3 Pd | P -1 | 9.1886; 10.6165; 11.5601 81.563; 81.84; 72.521 | 1058.25 | Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids Chemical Science, 2013, 4, 3906 |
1514550 | CIF | C27 H32 O11 | P 1 | 9.4188; 9.7589; 15.1515 96.812; 97.849; 109.187 | 1282.95 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514551 | CIF | C45 H63 B O10 Si Sn | P -1 | 11.9576; 12.6539; 16.2477 96.233; 98.572; 100.371 | 2367.98 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514552 | CIF | C29 H40 O9 Si | P 21 21 21 | 10.7843; 14.0454; 19.3783 90; 90; 90 | 2935.23 | Gong, Wei; RajanBabu, T. V. Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes Chemical Science, 2013, 4, 3979 |
1514553 | CIF | C118 H206 B2 Fe2 O P6 | C 1 2/c 1 | 28.3106; 21.7915; 22.8536 90; 126.572; 90 | 11323.1 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514554 | CIF | C124 H208 B2 Cl4 Fe2 N2 O2 P6 | P 1 21/c 1 | 22.7338; 15.5757; 17.6503 90; 110.288; 90 | 5862.1 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514555 | CIF | C54 H106 B2 Fe2 O P6 | P 1 21 1 | 14.199; 14.985; 14.939 90; 103.184; 90 | 3094.8 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514556 | CIF | C102 H94 B2 Fe2 O P6 | I -4 2 d | 33.2834; 33.2834; 16.7509 90; 90; 90 | 18556.4 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514557 | CIF | C67 H81 B Fe Na O7 P3 | P 31 | 13.1184; 13.1184; 31.059 90; 90; 120 | 4628.9 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514558 | CIF | C91 H82 B2 Fe2 O3 P6 | P -1 | 13.7605; 16.3419; 22.5111 96.665; 106.719; 103.489 | 4622.3 | Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C. CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling Chemical Science, 2013, 4, 4042 |
1514559 | CIF | C48 H62 O4 W | P -1 | 12.5307; 18.2485; 19.5913 91.056; 93.582; 109.527 | 4210.28 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514560 | CIF | C45 H56 O3.5 W | P -1 | 9.4199; 12.183; 17.6797 93.621; 100.409; 102.237 | 1939.34 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514561 | CIF | C50 H55 O2.5 W | P 1 21/c 1 | 9.6683; 40.736; 21.0306 90; 97.047; 90 | 8220.3 | McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S. Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand Chemical Science, 2013, 4, 1145 |
1514562 | CIF | C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 | P -1 | 11.1564; 16.8638; 17.2397 94.315; 93.4125; 108.645 | 3052.51 | Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science, 2013, 4, 1204 |
1514563 | CIF | C32 H24 Br2 N4 Ni | P 1 21/n 1 | 12.324; 8.833; 25.104 90; 94.105; 90 | 2725.8 | Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya Two double helical modes of bidipyrrin‒ZnII complexes Chemical Science, 2013, 4, 1204 |
1514564 | CIF | C34 H25 Eu F18 N4 O7 | P 1 21/c 1 | 12.4834; 18.5861; 20.5491 90; 117.547; 90 | 4227.24 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514565 | CIF | C69 H50 Eu2 F36 N8 O14 | P 1 21/c 1 | 21.9162; 18.3619; 24.8681 90; 122.872; 90 | 8405.1 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514566 | CIF | C119 H90.5 Eu3 F54 N18.5 O20 | P -1 | 17.6614; 19.7308; 23.4654 95.2886; 96.678; 114.691 | 7288.8 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514567 | CIF | C38 H31 F18 Lu N6 O7 | P -1 | 12.2354; 14.4044; 14.8029 77.3039; 72.1925; 68.6551 | 2296.17 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514568 | CIF | C66 H54 F30 La2 N10 O14 | P -1 | 11.6721; 15.7298; 22.3967 78.307; 87.1599; 87.3088 | 4018.88 | Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers Chemical Science, 2013, 4, 1125 |
1514569 | CIF | C23 H25 N O4 | P 1 21/c 1 | 18.485; 5.944; 18.057 90; 92.841; 90 | 1982 | Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons Chemical Science, 2013, 4, 1281 |
1514570 | CIF | C47 H53 La O2 P3 Se6 | P 42/n m c :2 | 31.601; 31.601; 10.671 90; 90; 90 | 10656 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514571 | CIF | C44 H46 Ce O2 P3 Se6 | P -1 | 9.8457; 13.0684; 19.024 88.6; 85.615; 70.493 | 2300.5 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514572 | CIF | C47 H53 Nd O2 P3 Se6 | P 42/n m c :2 | 31.4695; 31.4695; 10.6442 90; 90; 90 | 10541.3 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514573 | CIF | C40 H36 La N2 P3 Se6 | P 1 21/c 1 | 13.5653; 9.0111; 35.576 90; 91.945; 90 | 4346.2 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514574 | CIF | C44 H46 N0 O2 P3 Pu Se6 | P -1 | 13.344; 18.862; 20.428 79.465; 89.356; 70.12 | 4746 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514575 | CIF | C60 H68 Ce N O P4 Se8 | P 21 21 21 | 12.6878; 21.9927; 22.9089 90; 90; 90 | 6392.5 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514576 | CIF | C60 H68 N O P4 Pu Se8 | P 21 21 21 | 12.7053; 21.997; 22.902 90; 90; 90 | 6400.6 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514577 | CIF | C48 H40 P4 Se8 U | P 1 21 1 | 13.8131; 9.7933; 18.8547 90; 91.597; 90 | 2549.6 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514578 | CIF | C48 H40 Np P4 Se8 | P 1 21 1 | 13.8899; 9.9688; 18.862 90; 91.609; 90 | 2610.7 | Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L. Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand Chemical Science, 2013, 4, 1189 |
1514579 | CIF | C54 H78 Cl Ir N2 O2 | P 21 21 2 | 25.5236; 13.7422; 14.3634 90; 90; 90 | 5038 | Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid Chemical Science, 2013, 4, 1234 |
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