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 |
1514580 | CIF | C20 H26 Cl3 N2 Rh | P -1 | 10.499; 10.5404; 11.0455 63.986; 85.787; 69.884 | 1027.14 | 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 |
1514581 | CIF | C28 H27 N3 O3 | P 1 | 9.552; 10.569; 13.458 71.185; 76.497; 77.422 | 1235.4 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
1514582 | CIF | C28 H28 N2 O4 | P 21 21 21 | 11.118; 16.129; 26.837 90; 90; 90 | 4812 | Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway Chemical Science, 2013, 4, 1308 |
1514583 | CIF | C7 H18 Ca N O8 P | P 21 21 21 | 6.8101; 9.5015; 21.2601 90; 90; 90 | 1375.66 | Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity Chemical Science, 2013, 4, 983 |
1514584 | CIF | C33 H50 Au N3 | P 1 21/c 1 | 12.5384; 13.4689; 19.1735 90; 93.373; 90 | 3232.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514585 | CIF | C33 H51 Au B F4 N3 | P 21 21 21 | 12.0547; 14.2387; 20.0505 90; 90; 90 | 3441.5 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514586 | CIF | C37 H50 Au N3 O | P 1 21/n 1 | 12.5675; 19.0611; 14.9662 90; 108.971; 90 | 3390.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514587 | CIF | C36 H53 Au N4 | P 1 21/c 1 | 10.8111; 20.7615; 16.2556 90; 103.247; 90 | 3551.6 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514588 | CIF | C45 H58 Au N2 P | P b c a | 14.8187; 19.5498; 28.0267 90; 90; 90 | 8119.4 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514589 | CIF | C45 H59 Au B F4 N2 P | P 1 2/n 1 | 11.8034; 8.9229; 50.327 90; 92.992; 90 | 5293.2 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514590 | CIF | C37 H59 Au B Cl4 F4 N2 P | P -1 | 11.9915; 12.2396; 16.7165 96.555; 108.386; 105.096 | 2195.7 | Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G. Preparation and reactivity of terminal gold(i) amides and phosphides Chemical Science, 2013, 4, 1023 |
1514591 | CIF | C45 H59 Cl N P Pd | P -1 | 10.1656; 13.4105; 15.503 97.346; 101.171; 101.772 | 1998.7 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
1514592 | CIF | C57.5 H45 Cl4 N P2 Pd | P 1 21/n 1 | 14.55; 13.7601; 23.806 90; 94.469; 90 | 4751.7 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
1514593 | CIF | C50 H72 N O4 P Pd S | P -1 | 12.3071; 13.5653; 14.7831 102.455; 94.481; 98.654 | 2366.8 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
1514594 | CIF | C44 H62 Cl4 N O3 P Pd S | P -1 | 10.8288; 13.3096; 17.347 110.42; 93.341; 103.421 | 2252.3 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
1514595 | CIF | C48 H66 N O5 P Pd S | P 1 21/n 1 | 15.5569; 17.0797; 16.7243 90; 94.222; 90 | 4431.7 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
1514596 | CIF | C60.5 H52 Cl7 N O3 P2 Pd S | P -1 | 13.9763; 20.426; 21.29 75.424; 85.472; 76.307 | 5713.9 | Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L. Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 916-920 |
1514597 | CIF | C15 H19 I N4 O4 | P 1 21/n 1 | 12.572; 9.3235; 15.1484 90; 90.258; 90 | 1775.6 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
1514598 | CIF | C17 H15 I N4 O4 | P -1 | 7.1296; 7.4865; 17.896 87.393; 84.501; 71.105 | 899.5 | Wang, Minyan; Fu, Chunling; Ma, Shengming Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides Chemical Science, 2013, 4, 1016 |
1514599 | CIF | C31 H22 Cl2 F4 Ir N2 O | P 1 21/n 1 | 10.3467; 11.3394; 23.95 90; 92.079; 90 | 2808.1 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
1514600 | CIF | C30 H19 F4 Ir N2 O | P 1 21/n 1 | 9.7368; 16.1179; 15.8357 90; 91.275; 90 | 2484.6 | Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G. Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities Chemical Science, 2013, 4, 1175 |
1514601 | CIF | C8 H10 O4 | P -1 | 6.6342; 7.2435; 9.0416 101.074; 109.754; 99.964 | 387.76 | Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno Stereoselective intramolecular cyclopropanation through catalytic olefin activation Chemical Science, 2013, 4, 1105 |
1514602 | CIF | C8 H15 F6 N2 P | P b c a | 9.3855; 9.7769; 26.717 90; 90; 90 | 2451.58 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514603 | CIF | C8 H15 F6 N2 P | P b c a | 9.4924; 9.8406; 26.8817 90; 90; 90 | 2511 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514604 | CIF | C8 H15 F6 N2 P | P -1 | 9.3869; 9.5879; 14.4964 98.492; 98.354; 101.089 | 1245.85 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514605 | CIF | C8 H15 F6 N2 P | P -1 | 9.5818; 9.5826; 14.5801 99.219; 99.252; 99.667 | 1278.2 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514606 | CIF | C8 H15 F6 N2 P | P -1 | 8.8215; 9.0796; 9.0381 96.671; 114.768; 103.071 | 621.82 | Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A. Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6] Chemical Science, 2013, 4, 1270 |
1514607 | CIF | C16 H16 N2 O5 S | P 1 21 1 | 4.92063; 15.6607; 10.4554 90; 99.6328; 90 | 794.34 | Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations Chemical Science, 2013, 4, 1111 |
1514608 | CIF | C108 H71 F30 N6 O8 S4 | P -1 | 12.2352; 16.6412; 25.9304 76.808; 80.972; 74.261 | 4922.1 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514609 | CIF | C75 H32 Cl4 F30 N6 S4 | P -1 | 12.2654; 15.3627; 24.8758 101.432; 93.5605; 112.749 | 4186.74 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514610 | CIF | C75.78 H37.56 Cl3.56 F30 N6 S4 | P 1 21/n 1 | 16.133; 7.8286; 29.837 90; 102.318; 90 | 3681.6 | Higashino, Tomohiro; Osuka, Atsuhiro 2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base Chemical Science, 2013, 4, 1087 |
1514611 | CIF | C119 H162 F3 Fe5 N17 O41 S Yb3 | P -1 | 16.483; 19.8976; 20.2276 76.119; 74.622; 81.57 | 6185.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514612 | CIF | C85 H111 Fe4 N7 O29 Yb2 | P -1 | 14.2113; 18.558; 19.2 84.231; 70.788; 83.144 | 4737.3 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514613 | CIF | C72 H94 Fe3 N5 O25 Yb2 | P 1 21/c 1 | 19.9227; 19.679; 22.0382 90; 108.184; 90 | 8208.8 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514614 | CIF | C61 H115 Fe4 N7 O27 S2 Yb2 | P 1 21/c 1 | 14.449; 24.951; 23.76 90; 101.82; 90 | 8384 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514615 | CIF | C182 H353 Fe10 N51 O90 Yb10 | P -1 | 16.553; 20.5964; 21.1312 108.791; 101.118; 95.993 | 6583.9 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514616 | CIF | C46 H60 N2 O14 Yb2 | P 1 21/n 1 | 9.898; 14.2365; 17.039 90; 94.369; 90 | 2394 | Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K. Ringing the changes in Feiii/Ybiii cyclic coordination clusters Chemical Science, 2013, 4, 4354 |
1514617 | CIF | C17 H31 Cl N2 O6 | P 31 | 32.591; 32.591; 5.1877 90; 90; 120 | 4772 | Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination Chemical Science, 2013, 4, 4494 |
1514618 | CIF | C52 H62 N4 O10 S2 | P -1 | 7.5487; 12.3687; 13.3085 86.885; 79.43; 78.079 | 1194.98 | Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures Chemical Science, 2013, 4, 4486 |
1514619 | CIF | C65 H88 Mg2 N4 O3 | P 21 21 21 | 10.8296; 22.4623; 24.9069 90; 90; 90 | 6058.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514620 | CIF | C59 H82 Mg2 N4 O3 | C 1 2/c 1 | 48.559; 13.67; 17.5247 90; 103.46; 90 | 11313.4 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514621 | CIF | C60 H82 Mg2 N4 O4 | P c c n | 14.5246; 15.621; 25.9215 90; 90; 90 | 5881.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514622 | CIF | C58 H84 Mg2 N4 O2 | C 1 2/c 1 | 22.886; 14.823; 16.196 90; 90.65; 90 | 5494 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514623 | CIF | C72 H104 Mg2 N4 O3 | P -1 | 12.168; 12.6241; 13.176 98.046; 111.433; 109.68 | 1692.2 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514624 | CIF | C73 H106 Mg2 N4 O4 | P 1 21/n 1 | 12.749; 14.372; 18.802 90; 95.03; 90 | 3431.8 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514625 | CIF | C59 H82 Mg2 N4 O S2 | P b c a | 14.86; 17.21; 45.3 90; 90; 90 | 11585 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514626 | CIF | C83 H116 Mg2 N6 O | P 31 2 1 | 12.0374; 12.0374; 44.799 90; 90; 120 | 5621.7 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514627 | CIF | C63 H92 Mg2 N4 O2 S2 | P -1 | 13.1816; 16.205; 31.9827 79.216; 83.332; 68.828 | 6249.3 | Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry Chemical Science, 2013, 4, 4383 |
1514628 | CIF | C26 H23 N O3 S | P 1 21 1 | 8.6436; 12.2137; 10.588 90; 100.721; 90 | 1098.27 | Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes Chemical Science, 2013, 4, 4499 |
1514629 | CIF | C15 H16 N4 O4 | P 1 21/c 1 | 11.2358; 9.1056; 15.9131 90; 104.579; 90 | 1575.6 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514630 | CIF | C15 H15 F N4 O4 | P 1 21/c 1 | 11.30697; 9.06586; 15.94455 90; 105.28; 90 | 1576.66 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514631 | CIF | C15 H15 F N4 O4 | P -1 | 8.78113; 10.06607; 10.5609 105.871; 72.7172; 71.1516 | 769.83 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514632 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.39598; 9.15968; 15.8701 90; 104.025; 90 | 1607.2 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514633 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.36104; 9.11522; 15.8828 90; 101.777; 90 | 1610.2 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514634 | CIF | C15 H14 F2 N4 O4 | P 1 21/c 1 | 11.33562; 9.12362; 15.9442 90; 104.26; 90 | 1598.17 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514635 | CIF | C15 H12 F4 N4 O4 | P 1 21/c 1 | 14.263; 8.13716; 16.0129 90; 121.214; 90 | 1589.4 | Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal Chemical Science, 2013, 4, 4417 |
1514636 | CIF | C36 H20 N4 S4 | P 1 21/c 1 | 13.2146; 8.7249; 26.334 90; 98.44; 90 | 3003.32 | Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes Chemical Science, 2013, 4, 4465 |
1514637 | CIF | C42 H46 B2 F12 N10 O Rh2 | P 1 21/c 1 | 11.042; 32.589; 14.243 90; 100.66; 90 | 5036.9 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514638 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.135; 21.331; 31.17 90; 90; 90 | 9398 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514639 | CIF | C42 H48 B2 F8 N10 Rh2 | P b c a | 14.338; 21.619; 31.136 90; 90; 90 | 9651 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514640 | CIF | C42 H46 B2 F12 N10 O Rh2 | P 1 21/c 1 | 11.11; 31.777; 14.195 90; 101.13; 90 | 4917.2 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514641 | CIF | C40 H46 B2 F8 N12 Rh2 | P b c a | 14.126; 21.399; 31.434 90; 90; 90 | 9502 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514642 | CIF | C48 H46 B2 F8 N6 P2 Rh2 | P 1 21/c 1 | 22.272; 22.161; 22.409 90; 119.43; 90 | 9633 | Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R. Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study Chemical Science, 2013, 4, 4470 |
1514643 | CIF | C22 H20 O | P 1 21/c 1 | 16.0527; 5.5303; 20.7663 90; 115.425; 90 | 1665 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514644 | CIF | C20 H24 O2 | P b c a | 9.79459; 10.18235; 34.1007 90; 90; 90 | 3400.93 | Franzoni, Ivan; Guénée, Laure; Mazet, Clément Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes Chemical Science, 2013, 4, 2619 |
1514645 | CIF | C28 H27 Br F3 N O8 S | P 1 21 1 | 11.663; 5.822; 21.566 90; 100.89; 90 | 1438 | Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping Enantioselective intermolecular bromoesterification of allylic sulfonamides Chemical Science, 2013, 4, 2652 |
1514646 | CIF | C19 H13 F2 N4 O3 Pt | P 1 21/m 1 | 6.9645; 25.7559; 9.9824 90; 99.152; 90 | 1767.82 | Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science, 2013, 4, 2630 |
1514647 | CIF | C20 H14 Cl2 F2 N4 O2 Pt | P 1 21/c 1 | 11.5589; 8.2655; 22.3063 90; 111.907; 90 | 1977.3 | Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors Chemical Science, 2013, 4, 2630 |
1514648 | CIF | C20.5 H13 Cl N3 | P -1 | 8.1851; 8.5344; 13.5521 94.129; 99.175; 114.976 | 836.84 | Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods Chemical Science, 2013, 4, 2502 |
1514649 | CIF | C22 H28 O6 | P -1 | 5.0348; 14.3242; 15.1715 115.546; 90.919; 98.363 | 972.89 | Riener, Michelle; Nicewicz, David A. Synthesis of cyclobutane lignans via an organic single electron oxidant-electron relay system. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2625 |
1514650 | CIF | C54 H95 Fe N10 O6 | P 1 21 1 | 21.267; 11.483; 26.049 90; 111.875; 90 | 5903.4 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514651 | CIF | C29 H27 B2 Co F8 N5 O | C 1 2/c 1 | 21.346; 12.362; 12.855 90; 120.033; 90 | 2936.7 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514652 | CIF | C22 H15 F0 Fe N8 O | P 1 21/c 1 | 10.9398; 22.107; 16.8809 90; 92.003; 90 | 4080.1 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514653 | CIF | C107 H92 Co2 Fe2 N26 O5 | P 1 21/c 1 | 13.5995; 14.2091; 24.965 90; 103.148; 90 | 4697.7 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514654 | CIF | C107 H92 Co2 Fe2 N26 O5 | P 1 21/c 1 | 13.6545; 14.348; 25.328 90; 102.313; 90 | 4848 | Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state Chemical Science, 2013, 4, 2463 |
1514655 | CIF | C39 H17 B F15 P | P 1 21/n 1 | 9.9184; 20.5507; 17.2472 90; 101.677; 90 | 3442.74 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514656 | CIF | C34 H20 B F10 P | P 1 21/c 1 | 8.3314; 23.9142; 14.7962 90; 90.618; 90 | 2947.8 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514657 | CIF | C44 H26 B F15 N P | P 1 21/c 1 | 13.8351; 11.5678; 30.569 90; 101.896; 90 | 4787.2 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514658 | CIF | C39 H29 B F10 N P | P -1 | 10.1806; 10.4896; 17.7612 94.693; 95.33; 112.36 | 1732.34 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514659 | CIF | C46 H30 B Cl4 F15 N P | P 1 21/n 1 | 17.6472; 14.6343; 18.4267 90; 103.288; 90 | 4631.4 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514660 | CIF | C39.5 H30 B Cl F10 N P | C 1 2/c 1 | 39.1199; 16.3061; 23.4811 90; 97.421; 90 | 14853 | Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs Chemical Science, 2013, 4, 2657 |
1514661 | CIF | C34 H30 Br3 N O4 S | P 21 21 21 | 11.8916; 15.4391; 17.7101 90; 90; 90 | 3251.5 | Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity Chemical Science, 2013, 4, 2613 |
1514662 | CIF | C32 H37 Cl6 Ir N2 O3 | P 21 21 21 | 8.5561; 28.71; 29.726 90; 90; 90 | 7302.1 | Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B. Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization Chemical Science, 2013, 4, 2590 |
1514663 | CIF | C15 H10 F2 O | P 1 21/c 1 | 6.6609; 9.7886; 18.8033 90; 106.893; 90 | 1173.09 | Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science, 2013, 4, 2418 |
1514664 | CIF | C15 H12 O | P 1 21/c 1 | 5.8262; 21.4617; 9.2279 90; 95.017; 90 | 1149.44 | Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system Chemical Science, 2013, 4, 2418 |
1514665 | CIF | C55 H54 F6 N O10 P | P 1 21/n 1 | 14.0847; 15.7003; 25.3994 90; 91.481; 90 | 5614.8 | Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava First demonstration of two-step FRET in a synthetic supramolecular assembly Chemical Science, 2013, 4, 2380 |
1514666 | CIF | C28 H18 | C 1 2/c 1 | 23.095; 4.8656; 18.761 90; 122.671; 90 | 1774.6 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514667 | CIF | C32 H14 F12 | P -1 | 8.283; 12.769; 13.17 80.39; 77.65; 71.77 | 1285 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514668 | CIF | C32 H25 O4 | P -1 | 14.463; 15.645; 17.602 107.771; 98.2863; 105.005 | 3554 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514669 | CIF | C36 H34 O8 | P 1 21/c 1 | 11.38; 8.787; 15.36 90; 111.613; 90 | 1428 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514670 | CIF | C32 H20 F6 O2 | P 1 21/n 1 | 17.55; 7.302; 18.848 90; 94.759; 90 | 2407 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514671 | CIF | C32 H24 O2 | P -1 | 10.094; 12.055; 19.805 81.395; 80.7; 89.36 | 2351 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514672 | CIF | C22 H18 O4 | P 1 21/n 1 | 11.675; 5.0054; 14.303 90; 98.451; 90 | 826.8 | Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil Chemical Science, 2013, 4, 2369 |
1514673 | CIF | C12 H15 F3 O3 | P -1 | 10.4133; 12.3601; 16.6001 111.7; 102.333; 93.499 | 1916.15 | Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands Chemical Science, 2013, 4, 2478 |
1514674 | CIF | C20 H20 F N O S | P 1 21/n 1 | 6.7008; 14.8959; 16.9986 90; 93.806; 90 | 1692.96 | Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones Chemical Science, 2013, 4, 2645 |
1514675 | CIF | C20 H13 N3 S | P -1 | 8.3008; 10.0109; 10.1613 76.211; 79.041; 87.821 | 805.07 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514676 | CIF | C22 H23 Cl N3 Rh | P -4 21 c | 22.2937; 22.2937; 8.766 90; 90; 90 | 4356.78 | Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes Chemical Science, 2013, 4, 1964 |
1514677 | CIF | C40 H54 I N3 O Pd | P 1 | 11.3782; 12.8716; 13.5328 103.493; 91.2746; 90.1766 | 1926.7 | Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study Chemical Science, 2013, 4, 1995 |
1514678 | CIF | C18 H15 Cl3 I N O | P 21 21 21 | 6.2501; 10.0275; 30.1617 90; 90; 90 | 1890.32 | Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N. Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates. Chemical sciences journal, 2013, 4, 2100 |
1514679 | CIF | C13 H13 Cl3 I N O2 | C 1 2 1 | 25.646; 6.3769; 10.8278 90; 112.766; 90 | 1632.8 | Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N. Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates. Chemical sciences journal, 2013, 4, 2100 |
1514680 | CIF | C12 H11 Cl4 F I N O | P 21 21 21 | 9.9921; 17.5041; 18.6434 90; 90; 90 | 3260.8 | Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N. Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates. Chemical sciences journal, 2013, 4, 2100 |
1514681 | CIF | C13 H11 Cl3 N2 O | P 21 21 21 | 11.2235; 11.7597; 20.531 90; 90; 90 | 2709.8 | Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N. Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates. Chemical sciences journal, 2013, 4, 2100 |
1514682 | CIF | C28 H27 Cl N2 O S | P 21 21 21 | 11.741; 12.62; 15.891 90; 90; 90 | 2354.6 | Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D. Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes Chemical Science, 2013, 4, 2193 |
1514683 | CIF | C44 H28 Cl3 F20 N O4 P Rh | P -1 | 11.5246; 12.6819; 17.2832 68.867; 84.99; 77.05 | 2296.1 | Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2062-2070 |
1514684 | CIF | C44 H28 Cl F23 N O7 P Rh S | P -1 | 10.4903; 14.3946; 15.5781 78.012; 84.045; 72.01 | 2186.6 | Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2062-2070 |
1514685 | CIF | C50 H33 F20 N O7 P Rh S | P -1 | 11.7155; 12.1131; 18.2303 70.901; 89.025; 83.198 | 2426.82 | Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2062-2070 |
1514686 | CIF | C54 H52 Co F20 N2 O7 P | P -1 | 13.4123; 14.8876; 16.7728 94.268; 90.34; 97.344 | 3312.1 | Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2062-2070 |
1514687 | CIF | C35 H48 Cl N3 O2 | P 1 21/c 1 | 10.3948; 12.9525; 25.0752 90; 92.424; 90 | 3373.1 | Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science, 2013, 4, 2117 |
1514688 | CIF | C39 H53 B2 F8 N3 O3 | P -1 | 8.9329; 15.3817; 16.3064 79.606; 81.358; 75.254 | 2118.34 | Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E. Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene Chemical Science, 2013, 4, 2117 |
1514689 | CIF | C79 H48 Cl5 | P -1 | 12.2674; 13.4426; 19.906 83.633; 76.942; 65.569 | 2910.8 | Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin Supersized contorted aromatics Chemical Science, 2013, 4, 2018 |
1514690 | CIF | C16 H23 N O2 | P -1 | 8.796; 8.8679; 10.3885 75.311; 80.306; 71.263 | 738.95 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514691 | CIF | C24 H28 F3 N O2 | P 1 21/c 1 | 9.7796; 10.0791; 21.9689 90; 96.101; 90 | 2153.2 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514692 | CIF | C20 H29 N O2 | P -1 | 10.7367; 11.183; 16.106 76.241; 75.622; 77.643 | 1794.66 | Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines Chemical Science, 2013, 4, 2241 |
1514693 | CIF | C21 H27 Br N O3.5 | P -1 | 8.953; 9.856; 14.208 89.921; 72.269; 70.983 | 1122.3 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514694 | CIF | C19 H22 Br N O4 | C 1 2 1 | 28.468; 6.5087; 10.903 90; 101.161; 90 | 1982 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514695 | CIF | C20 H27 N O4 | P n a 21 | 16.349; 11.424; 20.499 90; 90; 90 | 3828.6 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514696 | CIF | C21 H26 Cl N O4 | P 1 21/n 1 | 13.807; 9.648; 15.895 90; 95.425; 90 | 2107.9 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514697 | CIF | C19 H22 Cl N O3 | P 1 21/n 1 | 12.2391; 13.5132; 12.6257 90; 118.77; 90 | 1830.4 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514698 | CIF | C21 H26 Br N O3 | P 1 21/n 1 | 19.981; 10.4357; 20.133 90; 104.963; 90 | 4055.7 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514699 | CIF | C19 H25 N O3 | P 1 21/c 1 | 9.0052; 19.3148; 11.0511 90; 110.477; 90 | 1800.7 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514700 | CIF | C19 H25 N O3 | P 21 21 21 | 8.2536; 12.3017; 17.9593 90; 90; 90 | 1823.47 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514701 | CIF | C16 H20 N2 O3.33 | P 1 21 1 | 9.4884; 7.3139; 12.2804 90; 105.801; 90 | 820.02 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514702 | CIF | C19 H27 N O4 | P 1 21 1 | 10.7474; 7.1883; 12.3435 90; 112.278; 90 | 882.42 | Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts Chemical Science, 2013, 4, 2218 |
1514703 | CIF | C42 H34 B F15 O2 Sc | C 1 2/c 1 | 29.7078; 13.6826; 21.4688 90; 114.327; 90 | 7951.8 | Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science, 2013, 4, 2152 |
1514704 | CIF | C42 H36 B F15 Sc | P 1 21/n 1 | 13.9542; 16.0174; 17.9508 90; 97.5764; 90 | 3977.16 | Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide Chemical Science, 2013, 4, 2152 |
1514705 | CIF | C19 H21 N O3 | P -1 | 6.229; 11.758; 12.009 88.61; 77.64; 83.8 | 854.1 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514706 | CIF | C15 H12 F N O3 | P 1 21/n 1 | 14.6982; 4.5311; 19.448 90; 97.309; 90 | 1284.7 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514707 | CIF | C17 H17 N O6 S | P -1 | 5.707; 7.877; 18.99 98.61; 91.4; 91.03 | 844 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514708 | CIF | C15 H8 F5 N O3 | P 1 21 1 | 7.89; 5.6; 16.51 90; 102.65; 90 | 712 | McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C. Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors Chemical Science, 2013, 4, 2028 |
1514709 | CIF | C92 H96 Mo2 N4 O10 S2 | P -1 | 12.6203; 13.1151; 13.4075 81.395; 89.382; 84.039 | 2182.29 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science, 2013, 4, 2105 |
1514710 | CIF | C88 H100 Mo2 N4 O11 | P -1 | 12.843; 16.816; 21.696 74.31; 76.48; 72.72 | 4247 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F. MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states Chemical Science, 2013, 4, 2105 |
1514711 | CIF | C14 H12 N2 | P 1 21 1 | 12.1824; 7.56; 12.3739 90; 106.815; 90 | 1090.9 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514712 | CIF | C15 H17 N5 O2 | P 1 21/c 1 | 10.8034; 6.9959; 19.4702 90; 102.269; 90 | 1437.94 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514713 | CIF | C16 H11 N O S | P n a 21 | 23.0013; 5.0777; 11.154 90; 90; 90 | 1302.72 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514714 | CIF | C10 H5 F N2 S | P 1 21/n 1 | 6.7553; 9.2885; 14.5501 90; 95.168; 90 | 909.26 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514715 | CIF | C16 H12 N O2 S | P 1 | 6.0479; 8.1021; 14.5564 81.543; 83.748; 72.375 | 670.83 | Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes Chemical Science, 2013, 4, 2163 |
1514716 | CIF | C13 H13 F3 N2 O4 S | P -1 | 6.2339; 8.9683; 14.0067 81.624; 89.228; 75.671 | 750.42 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514717 | CIF | C15 H17 F3 N2 O4 S | P 1 21/c 1 | 9.6013; 7.0186; 25.4572 90; 92.806; 90 | 1713.44 | Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents Chemical Science, 2013, 4, 2177 |
1514718 | CIF | C37 H49.95 Ga Mn N2 O2 | P 1 21/n 1 | 10.1814; 20.4882; 16.7346 90; 103.158; 90 | 3399.16 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514719 | CIF | C34 H41 Ga Mo N2 O5 | P 43 21 2 | 9.083; 9.083; 41.8928 90; 90; 90 | 3456.19 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514720 | CIF | C34 H41 Ga N2 O5 W | P b n m | 9.15777; 35.5896; 21.105 90; 90; 90 | 6878.57 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514721 | CIF | C36 H41 Co2 Ga N2 O7 | P -1 | 8.8239; 19.5134; 21.404 90.0148; 89.9906; 90.0029 | 3685.43 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514722 | CIF | C33 H42 Ga Mn N2 O4 | P 1 21/m 1 | 8.86; 21.5544; 9.0818 90; 108.601; 90 | 1643.77 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514723 | CIF | C33 H41 Cl Co Ga N2 O4 | C 1 2/c 1 | 21.4272; 16.8902; 21.5723 90; 108.729; 90 | 7393.79 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514724 | CIF | C37 H48 Ga Mn N2 O2 | P -1 | 8.8327; 18.3781; 20.6752 90.0077; 90.0065; 85.7423 | 3346.91 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514725 | CIF | C65 H53 B Co F24 Ga N2 O4 | P -1 | 12.5663; 13.2686; 20.7262 78.4857; 83.9447; 83.4912 | 3352.25 | Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH} Chemical Science, 2013, 4, 4245 |
1514726 | CIF | C16 H16 O4 S | P -1 | 10.8453; 12.173; 12.2364 109.364; 106.53; 98.626 | 1406.8 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514727 | CIF | C16 H14 Cl2 O4 | P -1 | 3.9099; 13.413; 14.207 82.606; 86.888; 82.453 | 731.9 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514728 | CIF | C34 H30 Au O4 P S2 | P c a 21 | 23.574; 11.1504; 23.342 90; 90; 90 | 6135.7 | Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V. The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus Chemical Science, 2013, 4, 4267 |
1514729 | CIF | C15.5 H15 Cl3 N2 Pt S | P -1 | 9.6661; 13.0872; 15.6977 111.029; 90.575; 108.683 | 1738.24 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
1514730 | CIF | C35 H33 B Cl F4 N2 P Pt S2 | P -1 | 9.4153; 12.0408; 16.6958 102.425; 100.136; 104.304 | 1737.82 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
1514731 | CIF | C35 H33 B2 F8 N2 P Pt S2 | P 1 21/c 1 | 10.295; 9.8283; 34.0318 90; 94.67; 90 | 3431.99 | Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A. Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands Chemical Science, 2013, 4, 4193 |
1514732 | CIF | C30 H42 N2 Si | P 1 21/a 1 | 15.1354; 9.24; 20.128 90; 101.781; 90 | 2755.63 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514733 | CIF | C38 H58 Mg N2 O2 Si | P -1 | 11.294; 12.168; 13.604 96.759; 90.61; 90.961 | 1856.13 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514734 | CIF | C44 H68 Mg N2 O3.5 Si | P 1 21/n 1 | 10.031; 30.017; 16.556 90; 104.903; 90 | 4817.34 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514735 | CIF | C49 H72 Ca N2 O3 Si | P 1 21/n 1 | 10.2642; 22.7621; 20.7835 90; 98.249; 90 | 4805.5 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514736 | CIF | C46 H71 N2 O4 Si Sr | P 1 21 1 | 10.37; 18.852; 12.632 90; 113.607; 90 | 2262.83 | Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P. Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis Chemical Science, 2013, 4, 4212 |
1514737 | CIF | C20 H18 F3 N3 O3 | C 1 2/c 1 | 27.371; 7.0453; 18.8951 90; 99.01; 90 | 3598.7 | Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L. Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor Chemical Science, 2013, 4, 4121 |
1514738 | CIF | C47 H77 N2 Na O3 Zn | P 21 21 21 | 11.948; 15.878; 24.9404 90; 90; 90 | 4731.5 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514739 | CIF | C35 H54 N2 Zn | P -1 | 9.7795; 10.1033; 20.1669 90.336; 103.989; 118.932 | 1674.4 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514740 | CIF | C71 H127 N2 Na O7 Zn2 | P 1 21/c 1 | 12.5177; 33.2445; 18.2146 90; 100.694; 90 | 7448.3 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514741 | CIF | C39 H63 Li N2 Zn | P b c a | 21.8628; 22.1892; 31.9347 90; 90; 90 | 15492.1 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514742 | CIF | C45 H50 Au2 Cl N2 P | P -1 | 9.2833; 14.4759; 16.9188 68.109; 81.38; 86.27 | 2085.74 | Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion Chemical Science, 2013, 4, 4259 |
1514743 | CIF | C18 H12 Br F3 O2 | P 1 21 1 | 11.822; 47.948; 12.119 90; 104.545; 90 | 6649 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514744 | CIF | C22 H19 F3 O2 | P 1 21 1 | 6.039; 27.449; 11.299 90; 104.404; 90 | 1814 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514745 | CIF | C19 H20 N2 S | P 21 21 21 | 7.934; 10.719; 18.419 90; 90; 90 | 1566.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514746 | CIF | C18 H17 F3 O2 | C 1 2 1 | 19.358; 9.419; 8.186 90; 90.979; 90 | 1492.4 | Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study Chemical Science, 2013, 4, 4146 |
1514747 | CIF | C31 H32 Cl2 N2 O4 | P -1 | 8.3666; 10.8236; 17.2119 84.42; 79.713; 75.288 | 1481.1 | Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R. From co-crystals to functional thin films: photolithography using [2+2] photodimerization Chemical Science, 2013, 4, 4304 |
1514748 | CIF | C160 H178 Cd3 N14 O27 Ti4 | P 6 2 2 | 32.0273; 32.0273; 29.1427 90; 90; 120 | 25888.2 | Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation Chemical Science, 2013, 4, 3154 |
1514749 | CIF | C24 H16 B2 O3 | P 1 21/n 1 | 9.4797; 45.49; 21.7415 90; 92.764; 90 | 9364.7 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
1514750 | CIF | C26 H22 B2 N2 O | P b c a | 10.6981; 14.3379; 26.3743 90; 90; 90 | 4045.5 | Dimitrijević, Elena; Taylor, Mark S. 9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols Chemical Science, 2013, 4, 3298 |
1514752 | CIF | C47 H97 N O6 S Si9 | P -1 | 13.583; 15.995; 16.961 110.618; 111.892; 93.2 | 3125.1 | Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes Chemical Science, 2013, 4, 3223 |
1514754 | CIF | C79.5 H115.5 Co3 N8.5 O34.5 | P n m a | 17.564; 25.629; 20.8 90; 90; 90 | 9363 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514755 | CIF | C79.5 H109.5 Co3 N8.5 O31.5 | P n m a | 17.5608; 25.3474; 20.8804 90; 90; 90 | 9294.3 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514756 | CIF | C78 H106 Co3 N8 O31 | P n m a | 17.446; 27.758; 18.762 90; 90; 90 | 9086 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514757 | CIF | C122 H178 Co6 N14 O46 | I m -3 | 27.2496; 27.2496; 27.2496 90; 90; 90 | 20233.9 | Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters Chemical Science, 2013, 4, 3232 |
1514759 | CIF | C18 H18 I2 O2 | P 21 21 21 | 7.7537; 8.7833; 28.0793 90; 90; 90 | 1912.29 | Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether‒transition metal‒Brønsted acid cooperative catalysis Chemical Science, 2013, 4, 3198 |
1514761 | CIF | C13 H14 O3 | P b c a | 10.2738; 11.207; 19.0373 90; 90; 90 | 2191.93 | Farmer, Rebecca L.; Scheidt, Karl A. A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3304-3309 |
1514762 | CIF | C95 H74 B Cl6 O4 P2 Rh | P 1 21/c 1 | 19.3718; 20.1092; 21.506 90; 93.7932; 90 | 8359.34 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
1514763 | CIF | C98 H80 B Cl6 O5 P2 Rh | P 21 21 21 | 15.7224; 20.2138; 25.7426 90; 90; 90 | 8181.2 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
1514764 | CIF | C96 H76 B Cl8 O4 P2 Rh | P 1 21 1 | 11.8286; 25.5279; 14.3047 90; 111.974; 90 | 4005.65 | Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M. Chiral recognition in contact ion-pairs; observation, characterization and analysis Chemical Science, 2013, 4, 3140 |
1514765 | CIF | C200 H256 Si8 | P 1 2/n 1 | 16.179; 17.461; 32.012 90; 95.835; 90 | 8997 | Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki Bottom-up synthesis and structures of π-lengthened tubular macrocycles Chemical Science, 2013, 4, 3179 |
1514766 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 22.0395; 16.0165; 39.3819 90; 90; 90 | 13901.6 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514767 | CIF | C54 H62 Br6 Dy N9 O10 Zn2 | P b c a | 20.5186; 16.4699; 37.585 90; 90; 90 | 12701.4 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514768 | CIF | C58 H78 Br6 Dy N9 O14 Zn2 | P b c a | 21.893; 15.9613; 39.306 90; 90; 90 | 13735.1 | Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh Chemical Science, 2013, 4, 3310 |
1514769 | CIF | C67 H101 Ag2 F3 N4 O6 S | P -1 | 10.5882; 16.8592; 20.8 74.883; 79.955; 76.103 | 3454.7 | Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P. A dinuclear silver hydride and an umpolung reaction of CO2 Chemical Science, 2013, 4, 3068 |
1514770 | CIF | C63 H93 Ag2 F3 N4 O5 S | P 1 21/n 1 | 14.8245; 23.508; 19.9054 90; 110.118; 90 | 6513.7 | Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P. A dinuclear silver hydride and an umpolung reaction of CO2 Chemical Science, 2013, 4, 3068 |
1514771 | CIF | C44 H38 F6 N4 O8 S2 | P -1 | 11.445; 12.104; 17.978 77.35; 76.4; 65.63 | 2184 | Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core Chemical Science, 2013, 4, 3288 |
1514772 | CIF | C40 H28 N4 S2 | P 1 21/c 1 | 9.6569; 10.14; 18.898 90; 118.42; 90 | 1627.5 | Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core Chemical Science, 2013, 4, 3288 |
1514773 | CIF | C24 H14 | P 1 21/c 1 | 11.6522; 5.4552; 11.4821 90; 90.607; 90 | 729.82 | Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian Revisiting zethrene: synthesis, reactivity and semiconductor properties Chemical Science, 2013, 4, 3294 |
1514774 | CIF | C216 H289 Cl2 Gd36 N51 O193 | P -1 | 21.545; 23.046; 23.372 94.535; 115.193; 115.679 | 8956 | Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun Two polymeric 36-metal pure lanthanide nanosize clusters Chemical Science, 2013, 4, 3104 |
1514775 | CIF | C216 H289 Cl2 Dy36 N51 O193 | P -1 | 21.545; 22.886; 23.17 94.32; 115.373; 115.639 | 8817 | Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun Two polymeric 36-metal pure lanthanide nanosize clusters Chemical Science, 2013, 4, 3104 |
1514776 | CIF | C38 H42 Cl2 N4 O7 S Si | P 21 21 21 | 9.7839; 16.5231; 24.2524 90; 90; 90 | 3920.7 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
1514777 | CIF | C32.33 H36.66 Cl0.66 N4 O10 S Si | P 1 | 13.7346; 16.0038; 17.3585 100.01; 92.214; 108.59 | 3543.2 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
1514778 | CIF | C45 H50 N4 O14 S | P 1 21 1 | 12.8803; 10.3954; 16.5478 90; 90.063; 90 | 2215.7 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
1514779 | CIF | C29 H21 N5 O6 S2 | P 1 21 1 | 11.6928; 11.2669; 20.6483 90; 96.676; 90 | 2701.8 | Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad Concise Total Synthesis of (+)-Bionectins A and C. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197 |
1514780 | CIF | C28 H32 F9 La N9 O10 P S4 | P 1 21/n 1 | 11.106; 16.93; 22 90; 91.61; 90 | 4134.9 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
1514781 | CIF | C54 H61 F18 N19 O19 P2 S8 Sm2 | P 1 21/c 1 | 9.764; 19.857; 22.899 90; 97.37; 90 | 4403.1 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
1514782 | CIF | C30 H33 F9 N12 O9 P Pu S4 | P -1 | 13.2866; 13.3751; 13.849 83.93; 70.156; 80.123 | 2277.65 | Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes Chemical Science, 2013, 4, 3717 |
1514783 | CIF | C17 H20 N4 Ni | P 1 21/c 1 | 14.9461; 7.3243; 15.6793 90; 112.463; 90 | 1586.18 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514784 | CIF | C36 H40 F6 N8 Ni2 O6 S2 | P -1 | 10.076; 10.6657; 19.6623 90.05; 97.94; 105.384 | 2016.3 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514785 | CIF | C25 H36 K N4 Ni O2 | P 1 21/n 1 | 10.5982; 12.3634; 19.8165 90; 95.155; 90 | 2586 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514786 | CIF | C23 H29 F12 N7 Ni P2 | C 1 c 1 | 9.223; 23.7522; 15.2139 90; 107.35; 90 | 3181.2 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514787 | CIF | C35 H56 K N6 Ni O6 | P 1 21/c 1 | 12.7277; 21; 28.837 90; 99.126; 90 | 7610 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514788 | CIF | C70 H106 K2 N12 Ni O12 | C 1 2/c 1 | 34.46; 10.852; 23.144 90; 100.903; 90 | 8499 | Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B. Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii) Chemical Science, 2013, 4, 3636 |
1514789 | CIF | C31 H22 N2 | P b c a | 9.7242; 17.6641; 25.6425 90; 90; 90 | 4404.59 | Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics Chemical Science, 2013, 4, 3725 |
1514790 | CIF | C17 H15 N O | P 1 21/c 1 | 9.1485; 13.8946; 10.4647 90; 102.948; 90 | 1296.4 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514791 | CIF | C19.5 H18.5 Cl2.5 N O | P 1 21/c 1 | 23.247; 9.9836; 16.0069 90; 90.649; 90 | 3714.8 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514792 | CIF | C16 H14 Cl3 N O2 | P b c a | 9.7761; 14.7382; 24.0669 90; 90; 90 | 3467.6 | Cui, Sunliang; Zhang, Yan; Wu, Qifan Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation Chemical Science, 2013, 4, 3421 |
1514793 | CIF | C17 H15 N O2 | P 21 21 21 | 6.4122; 12.077; 16.676 90; 90; 90 | 1291.4 | Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system Chemical Science, 2013, 4, 3416 |
1514794 | CIF | C24.5 H28.5 Cl1.5 N4 O6 Ru | P 1 21/c 1 | 8.906; 17.7086; 17.021 90; 91.073; 90 | 2684 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514795 | CIF | C34 H31 Cl3 N4 O6 Ru | C 1 2/c 1 | 23.297; 12.4626; 25.803 90; 115.977; 90 | 6734.8 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514796 | CIF | C66 H58 Cl4 Co2 N8 O21 | P -1 | 9.1898; 11.3905; 16.2931 78.018; 82.142; 76.846 | 1617.39 | Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W. Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study Chemical Science, 2013, 4, 3731 |
1514797 | CIF | C14 H17 Br N2 O4 S | P 21 21 21 | 7.6678; 13.5683; 14.958 90; 90; 90 | 1556.2 | Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes Chemical Science, 2013, 4, 3427 |
1514798 | CIF | C21 H18 Cu N5 O4 | P 1 21/c 1 | 9.876; 9.295; 22.594 90; 106.8; 90 | 1985.5 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514799 | CIF | C20 H16 Cu N5 O4 | P 1 21/c 1 | 9.399; 9.848; 21.834 90; 102.09; 90 | 1976.2 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514800 | CIF | C21 H18 Cu N5 O4 | P 1 21/c 1 | 9.93; 9.3445; 22.717 90; 106.94; 90 | 2016.5 | Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions Chemical Science, 2013, 4, 3678 |
1514801 | CIF | C24 H28 Cl3 N O6 Pd S | P 1 21 1 | 9.3736; 15.178; 10.1053 90; 107.302; 90 | 1372.7 | Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts Chemical Science, 2013, 4, 3753 |
1514802 | CIF | C45 H51 N3 P3 V | P -1 | 10.0198; 11.1462; 19.6789 85.018; 79.607; 74.258 | 2078.99 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514803 | CIF | C48 H57 Fe I N3 O0.75 P3 V | P -1 | 10.7003; 22.3479; 22.519 62.001; 81.313; 88.637 | 4693.3 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514804 | CIF | C48 H60 Fe N3 P4 V | P -3 c 1 | 16.3841; 16.3841; 22.8729 90; 90; 120 | 5317.4 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514805 | CIF | C60 H69 Fe N4 P4 V | P 1 21/c 1 | 13.0944; 14.5742; 28.469 90; 95.9356; 90 | 5403.9 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514806 | CIF | C48 H57 F Fe I N3 O0.75 P3 V | P -1 | 10.7611; 22.0867; 22.4678 63.268; 80.585; 85.642 | 4705.1 | Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. Vanadium‒iron complexes featuring metal‒metal multiple bonds Chemical Science, 2013, 4, 3557 |
1514807 | CIF | C10 H20 Cl2 N4 Ni | P 1 21/n 1 | 8.0672; 13.6398; 12.88 90; 100.756; 90 | 1392.4 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514808 | CIF | C6 H13 Cl2 N2 P | P b c a | 7.768; 12.985; 19.423 90; 90; 90 | 1959.1 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514809 | CIF | C11 H15 Cl2 N2 P | C 1 2/c 1 | 19.24; 11.531; 15.038 90; 128.66; 90 | 2605.2 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514810 | CIF | C5 H10 Cl3 N2 P | P 1 21/c 1 | 11.4381; 7.717; 12.979 90; 122.697; 90 | 964.09 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514811 | CIF | C10 H20 Cl2 N4 Pd | P 1 21/n 1 | 8.9858; 12.0174; 13.4315 90; 104.706; 90 | 1402.9 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514812 | CIF | C5 H11 F4 N2 P | P -1 | 7.375; 7.56; 8.6846 74.688; 76.04; 62.6 | 410.6 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514813 | CIF | C5 H10 Cl4 N2 Si | P b c a | 12.8424; 12.65; 13.2356 90; 90; 90 | 2150.21 | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform Chemical Science, 2013, 4, 77 |
1514814 | CIF | C26 H18 Fe | P -1 | 7.1257; 9.7812; 14.6087 74.587; 81.231; 70.49 | 922.94 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514815 | CIF | C25 H21 Fe N3 | P 1 21 1 | 11.3194; 5.7682; 14.8959 90; 94.364; 90 | 969.77 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514816 | CIF | C24 H18 Fe | P 1 21/c 1 | 21.166; 9.936; 8.1878 90; 92.968; 90 | 1719.6 | Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A. On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies Chemical Science, 2013, 4, 437 |
1514817 | CIF | C18 H12 O2 | C 1 c 1 | 20.7703; 20.6316; 23.952 90; 102.233; 90 | 10031 | Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones Chemical Science, 2013, 4, 526 |
1514818 | CIF | C10 H17 Cl N4 Ni O6 | P 1 21/n 1 | 7.3309; 16.9368; 12.1796 90; 95.441; 90 | 1505.43 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514819 | CIF | C22 H40 Cl2 N8.5 Ni O10 Zn | P 1 21/n 1 | 11.5005; 20.8961; 14.2514 90; 109.637; 90 | 3225.65 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514820 | CIF | C22 H42 Cl2 N8 Ni O10 Zn | P 1 21/n 1 | 11.5533; 22.0368; 12.9726 90; 104.81; 90 | 3193.1 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514821 | CIF | C21 H40 Cl N7 Ni O8 Zn | C 1 2/c 1 | 18.853; 18.337; 16.409 90; 90.05; 90 | 5673 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514822 | CIF | C19 H37 Cl N8 Ni O8 Zn | P 1 | 8.5274; 12.4106; 13.0776 98.754; 96.004; 90.074 | 1360.17 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514823 | CIF | C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 | P -1 | 11.7327; 15.5512; 17.9328 67.784; 71.146; 77.96 | 2852.6 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514824 | CIF | C61 H89 B N7 Ni O6.5 Zn | P -1 | 11.9784; 19.7901; 26.294 104.912; 91.396; 98.3 | 5947.7 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514825 | CIF | C77 H100 B N7 Ni O6 P Zn | P 1 21/c 1 | 21.7065; 13.6234; 24.045 90; 90.533; 90 | 7110.2 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514826 | CIF | C55 H74 B N7 Ni O5 Zn | P 1 21/c 1 | 17.2117; 12.9449; 24.7109 90; 101.43; 90 | 5396.5 | Uyeda, Christopher; Peters, Jonas C. Access to formally Ni(i) states in a heterobimetallic NiZn system Chemical Science, 2013, 4, 157 |
1514827 | CIF | C57 H72 N14 O15 | P -1 | 14.1445; 14.338; 16.719 86.271; 81.687; 61.358 | 2944.5 | Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas Chemical Science, 2013, 4, 103 |
1514828 | CIF | C38 H33 Co F9 N8 O6 S2 | C 1 2/c 1 | 23.898; 15.593; 23.95 90; 109.468; 90 | 8414.5 | Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J. Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers Chemical Science, 2013, 4, 118 |
1514830 | CIF | C20 H18 Fe O4 Si | P 1 21 1 | 7.151; 29.386; 9.6851 90; 100.773; 90 | 1999.4 | Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle Chemical Science, 2013, 4, 238 |
1514831 | CIF | C25 H38 O2 Si2 | P 1 21/n 1 | 12.129; 8.192; 26.318 90; 102.587; 90 | 2552.1 | Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle Chemical Science, 2013, 4, 238 |
1514832 | CIF | C30 H52 Fe N2 Si2 | P -1 | 8.8101; 9.1759; 11.1624 102.467; 92.503; 113.932 | 796.59 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514833 | CIF | C60 H76 Fe0.93 N2 | P 1 21/n 1 | 10.8937; 20.234; 11.2231 90; 90.829; 90 | 2473.6 | Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R. Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes Chemical Science, 2013, 4, 125 |
1514834 | CIF | C18.87 H19.16 N2 O2 Zn | I b c a | 13.9562; 23.5904; 23.5858 90; 90; 90 | 7765.2 | He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds Chemical Science, 2013, 4, 351 |
1514835 | CIF | C12 H10 N2 O2 Zn | I b c a | 13.9249; 23.653; 23.637 90; 90; 90 | 7785.2 | He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds Chemical Science, 2013, 4, 351 |
1514836 | CIF | C58 H60 Au2 I2 O2 P4 | P -1 | 11.83; 11.9725; 12.3591 65.098; 69.838; 65.309 | 1411.99 | Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L. Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes Chemical Science, 2013, 4, 311 |
1514837 | CIF | C51 H62 N3 Ni | P 1 21/n 1 | 12.2859; 20.3988; 17.3454 90; 99.232; 90 | 4290.8 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514838 | CIF | C59 H78 Cl4 N3 Ni | P 1 21/c 1 | 21.2763; 10.7269; 24.4104 90; 97.053; 90 | 5529 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514839 | CIF | C87 H84 B F24 N3 Ni O | P 1 21/n 1 | 12.9077; 34.624; 19.65 90; 107.756; 90 | 8363.6 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514840 | CIF | C197 H204 B2 F48 N6 Ni2 O4 | P -1 | 14.7621; 16.7885; 21.465 102.291; 106.901; 105.812 | 4644.3 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514841 | CIF | C93 H96 B F24 N3 Ni O | P 1 21/c 1 | 12.7476; 20.1891; 33.921 90; 90.696; 90 | 8729.4 | Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L. Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation Chemical Science, 2013, 4, 170 |
1514842 | CIF | C30 H27 B F15 O2 P S | P 1 21/c 1 | 9.4942; 29.0008; 11.5368 90; 90.018; 90 | 3176.5 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514843 | CIF | C33 H28 B F10 O2 P S | P -1 | 13.2898; 13.3521; 22.579 73.392; 73.073; 83.328 | 3670.7 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514844 | CIF | C36 H32 B F10 O2 P S | P -1 | 10.5993; 11.865; 14.4165 92.7; 95.322; 111.03 | 1678.66 | Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard Reactions of phosphorus/boron frustrated Lewis pairs with SO2 Chemical Science, 2013, 4, 213 |
1514845 | CIF | C76 H162 Cu6 N12 O88.66 V30 | P 31 2 1 | 20.411; 20.411; 40.34 90; 90; 120 | 14554 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
1514846 | CIF | C10 H30 N2 O12 S5 V | P -1 | 9.4145; 11.119; 13.183 67.27; 77.71; 89.25 | 1240 | Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters Chemical Science, 2013, 4, 418 |
1514847 | CIF | C31 H33 N3 O7 S | C 1 2/c 1 | 26.759; 8.5937; 24.464 90; 92.096; 90 | 5621.9 | Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T. Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex "Terpenoid-like" Heterocycles. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 292-296 |
1514848 | CIF | C31 H27 N3 O8 S | P -1 | 7.9323; 12.8416; 28.201 96.6629; 90.955; 94.4154 | 2843.8 | Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T. Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex "Terpenoid-like" Heterocycles. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 292-296 |
1514849 | CIF | C24.5 H33 Cl N4 O8 Pd2 S2 | P 21 21 21 | 8.4525; 15.486; 46.184 90; 90; 90 | 6045.3 | Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C. Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives Chemical Science, 2013, 4, 175 |
1514850 | CIF | C19 H24 N2 O6 S | P 21 21 21 | 9.8306; 17.0929; 24.3215 90; 90; 90 | 4086.8 | Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C. Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives Chemical Science, 2013, 4, 175 |
1514851 | CIF | C106 H115 Cl N8 O11 | P -1 | 13.258; 20.3837; 26.4826 85.599; 81.344; 81.232 | 6982 | Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel Lanthanide appended rotaxanes respond to changing chloride concentration Chemical Science, 2013, 4, 489 |
1514852 | CIF | C70 H126 Lu4 N16 Na4 O43 | P 1 2/c 1 | 18.0616; 14.969; 18.2262 90; 108.69; 90 | 4667.84 | Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel Lanthanide appended rotaxanes respond to changing chloride concentration Chemical Science, 2013, 4, 489 |
1514853 | CIF | C26 H16 O5 S8 | P -1 | 6.06; 12.255; 19.535 79.509; 81.926; 76.549 | 1380.07 | Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface Chemical Science, 2013, 4, 307 |
1514854 | CIF | C25 H20 O | P 1 21/c 1 | 11.751; 7.5332; 19.9382 90; 95.651; 90 | 1756.4 | Truong, Thanh; Daugulis, Olafs Divergent Reaction Pathways for Phenol Arylation by Arynes: Synthesis of Helicenes and 2-Arylphenols. Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 531-535 |
1514880 | CIF | C10 H10 O4 | P -1 | 6.8784; 8.2785; 8.5427 78.119; 87.93; 88.399 | 475.61 | Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R. Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes Polymer Chemistry, 2013, 4, 4219 |
1514881 | CIF | C10 H14 O2 | C 1 c 1 | 14.8047; 24.843; 5.0851 90; 101.707; 90 | 1831.4 | Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R. Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes Polymer Chemistry, 2013, 4, 4219 |
1514882 | CIF | C27 H38 Cl2 N2 O1.5 Zn | C 1 2/c 1 | 29.535; 11.948; 15.335 90; 96.899; 90 | 5372.3 | Naumann, Stefan; Schmidt, Friedrich Georg; Frey, Wolfgang; Buchmeiser, Michael R. Protected N-heterocyclic carbenes as latent pre-catalysts for the polymerization of ε-caprolactone Polymer Chemistry, 2013, 4, 4172 |
1514883 | CIF | C71 H116 N4 O6 Y2 | P c a b | 21.045; 24.936; 30.425 90; 90; 90 | 15966 | Fang, Jian; Tschan, Mathieu J.-L.; Roisnel, Thierry; Trivelli, Xavier; Gauvin, Régis M.; Thomas, Christophe M.; Maron, Laurent Yttrium catalysts for syndioselective β-butyrolactone polymerization: on the origin of ligand-induced stereoselectivity Polymer Chemistry, 2013, 4, 360 |
1514884 | CIF | C23 H26 N4 O2 | P 1 c 1 | 17.848; 16.102; 22.302 90; 110.45; 90 | 6005 | Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick Latent catalysts based on guanidine templates for polyurethane synthesis Polymer Chemistry, 2013, 4, 904 |
1514885 | CIF | C25 H30 N4 O2 | P -1 | 10.154; 10.801; 11.233 69.9; 85.34; 70.13 | 1087.2 | Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick Latent catalysts based on guanidine templates for polyurethane synthesis Polymer Chemistry, 2013, 4, 904 |
1514886 | CIF | C24 H29 N5 O2 | P b c a | 12.5135; 8.2914; 41.841 90; 90; 90 | 4341.2 | Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick Latent catalysts based on guanidine templates for polyurethane synthesis Polymer Chemistry, 2013, 4, 904 |
1514887 | CIF | C27 H41 N3 O3 | P 1 21 1 | 11.2993; 7.8614; 14.373 90; 94.716; 90 | 1272.4 | Li, Weina; Tian, Tian; Zhu, Wei; Cui, Jiecheng; Ju, Yong; Li, Guangtao Metal-free click approach for facile production of main chain poly(bile acid)s Polymer Chemistry, 2013, 4, 3057 |
1514888 | CIF | C36 H26 | P -1 | 9.908; 10.7787; 12.7321 97.6691; 94.7545; 115.897 | 1196.95 | Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization Polymer Chemistry, 2013, 4, 2963 |
1514889 | CIF | C36.5 H25 Cl3 | P 1 21/c 1 | 7.5317; 21.0519; 17.7743 90; 94.802; 90 | 2808.3 | Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization Polymer Chemistry, 2013, 4, 2963 |
1514890 | CIF | C38 H30 | C 1 2/c 1 | 7.3789; 22.1571; 16.3043 90; 102.057; 90 | 2606.87 | Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization Polymer Chemistry, 2013, 4, 2963 |
1514891 | CIF | C52 H56 Cl2 | F d d d :2 | 13.8723; 17.3314; 37.589 90; 90; 90 | 9037.4 | Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization Polymer Chemistry, 2013, 4, 2963 |
1514892 | CIF | C23 H19 N7 | P 43 21 2 | 6.1133; 6.1133; 52.627 90; 90; 90 | 1966.8 | Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher Consecutive modular ligation as an access route to palladium containing polymers Polymer Chemistry, 2013, 4, 5456 |
1514893 | CIF | C29 H37 Cl4 N7 O3 Pd2 S3 | P -1 | 8.6458; 13.837; 17.394 109.67; 102.9; 95.46 | 1876.8 | Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher Consecutive modular ligation as an access route to palladium containing polymers Polymer Chemistry, 2013, 4, 5456 |
1514894 | CIF | C76 H68 N2 O2 | P n a 21 | 18.951; 14.595; 20.257 90; 90; 90 | 5603 | Brulé, Emilie; Guérineau, Vincent; Vermaut, Philippe; Prima, Frédéric; Balogh, Janos; Maron, Laurent; Slawin, Alexandra M. Z.; Nolan, Steven P.; Thomas, Christophe M. Polymerization of cyclic esters using N-heterocyclic carbene carboxylate catalysts Polymer Chemistry, 2013, 4, 2414 |
1514895 | CIF | C38 H38 Br2 N2 O2 S2 | P 1 21/c 1 | 18.397; 8.5233; 11.0281 90; 90.413; 90 | 1729.2 | Zhang, Haichang; Welterlich, Irina; Neudörfl, Jörg-Martin; Tieke, Bernd; Yang, Chao; Chen, Xuegang; Yang, Wenjun Synthesis and characterization of 1,3,4,6-tetraarylpyrrolo[3,2-b]-pyrrole-2,5-dione (isoDPP)-based donor‒acceptor polymers with low band gap Polymer Chemistry, 2013, 4, 4682 |
1514896 | CIF | C32 H51 Al O2 | P -1 | 10.9975; 12.3835; 13.3184 65.237; 75.393; 69.574 | 1531.4 | Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization Polymer Chemistry, 2013, 4, 4718 |
1514897 | CIF | C34 H56 O2 Zn2 | P b c a | 17.7224; 9.6794; 19.248 90; 90; 90 | 3301.8 | Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization Polymer Chemistry, 2013, 4, 4718 |
1514898 | CIF | C30 H35 Br2 N3 O4 S2 | P 1 21/c 1 | 15.9739; 13.3946; 15.1964 90; 108.737; 90 | 3079.16 | Neo, Wei Teng; Loo, Lee May; Song, Jing; Wang, Xiaobai; Cho, Ching Mui; On Chan, Hardy Sze; Zong, Yun; Xu, Jianwei Solution-processable blue-to-transmissive electrochromic benzotriazole-containing conjugated polymers Polymer Chemistry, 2013, 4, 4663 |
1514899 | CIF | C31 H44 Cl4 N2 O2 | C 1 2/c 1 | 16.2658; 9.9841; 21.212 90; 108.293; 90 | 3270.7 | Naumann, Stefan; Schmidt, Friedrich Georg; Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R. Polymerization of methyl methacrylate by latent pre-catalysts based on CO2-protected N-heterocyclic carbenes Polymer Chemistry, 2013, 4, 2731 |
1514900 | CIF | C32 H24 O4 | P -1 | 8.957; 11.1473; 12.7782 80.558; 89.54; 86.557 | 1256.3 | Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers Polymer Chemistry, 2013, 4, 95 |
1514901 | CIF | C32 H24 O4 | P -1 | 9.5026; 12.2523; 12.4543 98.109; 110.976; 105.891 | 1255.2 | Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers Polymer Chemistry, 2013, 4, 95 |
1514902 | CIF | C31 H22 O4 | C 1 2/c 1 | 17.33; 9.333; 13.964 90; 99.064; 90 | 2230.3 | Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers Polymer Chemistry, 2013, 4, 95 |
1514926 | CIF | C24 H15 N O2 | P 1 21/n 1 | 6.661; 30.083; 17.635 90; 99.52; 90 | 3485.08 | Guha, Subarna; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Das, Debasis Anthracene appended coumarin derivative as a Cr(iii) selective turn-on fluorescent probe for living cell imaging: a green approach towards speciation studies Analytical Methods, 2012, 4, 3163 |
1514927 | CIF | C16 H11 N O5 | P 1 21/c 1 | 15.7822; 7.2392; 12.5086 90; 106.033; 90 | 1373.5 | Ivanova, Bojidarka B. Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
1514930 | CIF | C8 H7 N2 O3 | C 1 2/c 1 | 21.047; 8.368; 9.364 90; 101.972; 90 | 1613.3 | Ivanova, Bojidarka B. Matrixes in UV-MALDI mass spectrometry ‒ crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids Analytical Methods, 2012, 4, 2247 |
1514932 | CIF | C15 H11 N S | A b a 2 | 10.7541; 20.966; 10.5543 90; 90; 90 | 2379.7 | Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging Analytical Methods, 2012, 4, 2254 |
1514933 | CIF | C30 H35 B O9 | P 1 21/c 1 | 14.1656; 14.6048; 14.5328 90; 104.242; 90 | 2914.2 | Lawrence, Katherine; Flower, Stephen E.; Kociok-Kohn, Gabriele; Frost, Christopher G.; James, Tony D. A simple and effective colorimetric technique for the detection of boronic acids and their derivatives Analytical Methods, 2012, 4, 2215 |
1515289 | CIF | C29 H30 Cl2 N3 Ni O2 P S | P -1 | 9.333; 10.316; 15.611 93.677; 90.998; 95.767 | 1491.9 | Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes. Metallomics : integrated biometal science, 2012, 4, 218-227 |
1515290 | CIF | C27 H23 Cl N3 O P Pd S | P b c a | 7.7387; 24.7405; 27.364 90; 90; 90 | 5239.1 | Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes. Metallomics : integrated biometal science, 2012, 4, 218-227 |
1515291 | CIF | C27.5 H25 As Cl N3 O1.5 Pd S | P -1 | 8.4072; 16.1292; 20.8979 80.612; 88.34; 87.39 | 2792.26 | Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes. Metallomics : integrated biometal science, 2012, 4, 218-227 |
1515292 | CIF | C43 H35 Ag O3 P2 | P 1 21 1 | 11.5473; 18.9633; 16.926 90; 98.798; 90 | 3662.76 | Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Poyraz, M.; Kubicki, M.; Charalabopoulos, K.; Hadjikakou, S. K. Mixed ligand-silver(I) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis. Metallomics : integrated biometal science, 2012, 4, 545-560 |
1515293 | CIF | C17 H15 Cl3 Fe N2 O S | P 1 21/n 1 | 12.9853; 14.4886; 20.9329 90; 105.248; 90 | 3799.6 | Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity. Metallomics : integrated biometal science, 2012, 4, 498-511 |
1515294 | CIF | C52 H43 Cu Fe N2 O P2 S | P 1 21/c 1 | 13.766; 17.839; 20.779 90; 119.372; 90 | 4446.8 | Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity. Metallomics : integrated biometal science, 2012, 4, 498-511 |
1515295 | CIF | C13 H17 Cl2 Cu N5 O | P 1 21/n 1 | 12.4564; 8.7526; 14.9349 90; 96.602; 90 | 1617.49 | Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation. Metallomics : integrated biometal science, 2012, 4, 910-920 |
1515296 | CIF | C9 H10 N6 O9 Zn | P -1 | 7.1753; 9.9395; 11.0467 75.271; 74.091; 80.029 | 728.22 | Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation. Metallomics : integrated biometal science, 2012, 4, 910-920 |
1515297 | CIF | C18 H32 Cl4 N2 O4 Pt | P 21 21 21 | 10.8935; 14.4989; 15.1823 90; 90; 90 | 2397.95 | Kaluđerović, Goran N; Mijatović, Sanja A; Zmejkovski, Bojana B.; Bulatović, Mirna Z; Gómez-Ruiz, Santiago; Mojić, Marija K; Steinborn, Dirk; Miljković, Djordje M; Schmidt, Harry; Stošić-Grujičić, Stanislava D; Sabo, Tibor J.; Maksimović-Ivanić, Danijela D Platinum(II/IV) complexes containing ethylenediamine-N,N'-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells. Metallomics : integrated biometal science, 2012, 4, 979-987 |
1515298 | CIF | C31 H33 N4 O P Pd S | P 21 21 21 | 9.659; 11.2079; 27.4126 90; 90; 90 | 2967.61 | Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K. DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity. Metallomics : integrated biometal science, 2012, 4, 101-113 |
1515299 | CIF | C30 H33 N4 O P Pd S | P 21 21 21 | 9.6836; 11.1912; 27.4533 90; 90; 90 | 2975.14 | Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K. DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity. Metallomics : integrated biometal science, 2012, 4, 101-113 |
1515300 | CIF | C32 H35 N4 O P Pd S | P 21 21 21 | 9.8285; 11.3287; 27.6805 90; 90; 90 | 3082.06 | Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K. DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity. Metallomics : integrated biometal science, 2012, 4, 101-113 |
1515301 | CIF | C14 H20 F6 O6 | P 21 21 2 | 22.9706; 5.146; 8.0376 90; 90; 90 | 950.1 | Kataoka, Keisuke; Katagiri, Toshimasa Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal. Nanoscale, 2012, 4, 5098-5101 |
1515302 | CIF | C126.95 H54.95 Cl0.63 N4 Ni Sm | C 1 2/m 1 | 25.254; 14.979; 19.724 90; 94.323; 90 | 7440 | Xu, Wei; Niu, Ben; Shi, Zujin; Lian, Yongfu; Feng, Lai Sm@C2v(3)-C80: site-hopping motion of endohedral Sm atom and metal-induced effect on redox profile. Nanoscale, 2012, 4, 6876-6879 |
1515303 | CIF | C88 H89.45 N12 O28.47 S4 Sn Zn | P -1 | 17.1975; 22.7109; 23.24 94.052; 104.128; 106.292 | 8353.9 | Tian, Yongming; Beavers, Christine M.; Busani, Tito; Martin, Kathleen E.; Jacobsen, John L.; Mercado, Brandon Q.; Swartzentruber, Brian S.; van Swol, Frank; Medforth, Craig J.; Shelnutt, John A. Binary ionic porphyrin nanosheets: electronic and light-harvesting properties regulated by crystal structure. Nanoscale, 2012, 4, 1695-1700 |
1515304 | CIF | C52 H88 Ag4 I8 N4 | P -1 | 10.0164; 12.4022; 14.8694 89.2116; 73.399; 73.308 | 1690.9 | Xu, Biao; Wang, Ruji; Wang, Xun Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI. Nanoscale, 2012, 4, 2713-2719 |
1515305 | CIF | C15 H34 Ag2 I3 N | P -1 | 7.1475; 9.7391; 18.189 102.28; 98.07; 90.85 | 1223.6 | Xu, Biao; Wang, Ruji; Wang, Xun Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI. Nanoscale, 2012, 4, 2713-2719 |
1515306 | CIF | C26 H56 Ag4 I5 N | P -1 | 9.189; 10.093; 23.519 83.515; 88.522; 68.316 | 2013.6 | Xu, Biao; Wang, Ruji; Wang, Xun Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI. Nanoscale, 2012, 4, 2713-2719 |
1515307 | CIF | C209 H338 Ag16 Cl18 I32 N16 | P 1 c 1 | 12.263; 24.775; 24.888 90; 91.51; 90 | 7559 | Xu, Biao; Wang, Ruji; Wang, Xun Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI. Nanoscale, 2012, 4, 2713-2719 |
1515308 | CIF | C220 H172 Br12 Cd12 N4 O20 P8 Pt26 | C 1 2/c 1 | 40.575; 19.793; 37.187 90; 116.285; 90 | 26777 | Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore Surface decorated platinum carbonyl clusters. Nanoscale, 2012, 4, 4166-4177 |
1515309 | CIF | C195.7 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57 | P -1 | 19.014; 19.296; 20.388 109.55; 116.364; 93.478 | 6119 | Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore Surface decorated platinum carbonyl clusters. Nanoscale, 2012, 4, 4166-4177 |
1515358 | CIF | C10 H14 Cl2 Ru S | P 1 21/n 1 | 7.0069; 12.8404; 12.4298 90; 92.9276; 90 | 1116.87 | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin Direct observation of a cationic ruthenium complex for ethylene insertion polymerization Chemical Science, 2013, 4, 2902 |
1515359 | CIF | C12 H20 Ru S | P 1 21/n 1 | 6.8375; 13.5463; 12.8712 90; 93.878; 90 | 1189.44 | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin Direct observation of a cationic ruthenium complex for ethylene insertion polymerization Chemical Science, 2013, 4, 2902 |
1515360 | CIF | C13 H19 Cl N2 S | P b c n | 13.987; 8.17; 24.959 90; 90; 90 | 2852 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515361 | CIF | C13 H19 N3 O2 S | P -1 | 5.2833; 14.9019; 18.0119 91.957; 95.987; 92.116 | 1408.4 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515362 | CIF | C14 H19 N3 S | P -1 | 7.466; 8.049; 13.472 82.276; 82.154; 63.734 | 716.7 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515363 | CIF | C14 H22 N2 S | P 1 21/n 1 | 10.731; 8.475; 16.092 90; 102.01; 90 | 1431.5 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515364 | CIF | C15 H22 N2 O2 S | P 1 21/c 1 | 11.0875; 7.4703; 37.579 90; 100.356; 90 | 3061.8 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515365 | CIF | C14 H19 F3 N2 S | P 1 21/c 1 | 13.298; 13.278; 8.673 90; 91.912; 90 | 1530.5 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515366 | CIF | C13 H19 Br N2 S | P 1 21/c 1 | 17.3563; 7.8428; 21.0265 90; 97.599; 90 | 2837 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515367 | CIF | C13 H19 F N2 S | P c a 21 | 17.405; 8.732; 17.612 90; 90; 90 | 2677 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515368 | CIF | C15 H22 N2 O2 S | P 1 21/n 1 | 5.553; 9.157; 30.91 90; 93.215; 90 | 1569 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515369 | CIF | C15 H24 N2 O S | P -1 | 8.39; 9.689; 19.62 93.19; 101.167; 90.09 | 1562 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515370 | CIF | C13 H19 I N2 S | P 1 21/n 1 | 11.4798; 8.4051; 15.6294 90; 102.55; 90 | 1472.03 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515371 | CIF | C15 H19 F3 N2 O S | P -1 | 5.2392; 11.02; 14.5788 75.946; 79.884; 79.501 | 795.2 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515372 | CIF | C14 H22 N2 O S | P 1 21/c 1 | 36.04; 4.347; 9.59 90; 95.3; 90 | 1496 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515373 | CIF | C15 H24 N2 S | P 1 21/c 1 | 13.07; 13.28; 8.885 90; 93.56; 90 | 1539 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515374 | CIF | C16 H26 N2 S | P 1 21/c 1 | 22.536; 7.7393; 9.223 90; 98.488; 90 | 1591 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515375 | CIF | C15 H22 N2 O S | P b c a | 7.756; 10.12; 37.38 90; 90; 90 | 2934 | Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A. Towards predictable transmembrane transport: QSAR analysis of anion binding and transport Chemical Science, 2013, 4, 3036 |
1515384 | CIF | C17 H9 N3 O3 | P 1 21/n 1 | 3.9559; 20.3303; 18.2471 90; 95.041; 90 | 1461.84 | Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M. High Tg thermosetting resins from resveratrol Polymer Chemistry, 2013, 4, 3859 |
1515385 | CIF | C17 H11 N3 O3 | P 1 21/c 1 | 4.4993; 19.1442; 17.708 90; 93.733; 90 | 1522.05 | Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M. High Tg thermosetting resins from resveratrol Polymer Chemistry, 2013, 4, 3859 |
1515386 | CIF | C35 H34 N3 O5 | P -1 | 9.1861; 13.055; 13.3338 75.872; 81.166; 89.59 | 1531.5 | Astolfi, Paola; Greci, Lucedio; Stipa, Pierluigi; Rizzoli, Corrado; Ysacco, Cedric; Rollet, Marion; Autissier, Laurent; Tardy, Antoine; Guillaneuf, Yohann; Gigmes, Didier Indolinic nitroxides: evaluation of their potential as universal control agents for nitroxide mediated polymerization Polymer Chemistry, 2013, 4, 3694 |
1515387 | CIF | C51 H60 Br2 O10 | C 1 2/c 1 | 37.756; 11.9135; 27.853 90; 129.968; 90 | 9602 | Wang, Xiaoyang; Han, Kang; Li, Jian; Jia, Xueshun; Li, Chunju Pillar[5]arene‒neutral guest recognition based supramolecular alternating copolymer containing [c2]daisy chain and bis-pillar[5]arene units Polymer Chemistry, 2013, 4, 3998 |
1515395 | CIF | C22 H28 N2 O9 Zn | P 1 21/n 1 | 15.8662; 13.3414; 23.2173 90; 96.374; 90 | 4884.2 | Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology, 2014, 4, 1658 |
1515396 | CIF | C22 H26 N4 O5 S Zn | P 1 21/c 1 | 10.7526; 11.5952; 19.6353 90; 100.72; 90 | 2405.38 | Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology, 2014, 4, 1658 |
1515397 | CIF | C20 H20 Cl2 N4 O5 S Zn | P 1 21/c 1 | 10.9276; 11.7495; 18.1519 90; 97.784; 90 | 2309.1 | Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology, 2014, 4, 1658 |
1515398 | CIF | C24 H30 Cl2 N2 O9 S Zn | P 1 21/n 1 | 13.3344; 9.1475; 24.1887 90; 103.983; 90 | 2863 | Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology, 2014, 4, 1658 |
1515399 | CIF | C28 H42 N2 O10 S2 Zn | P 1 21/c 1 | 7.8991; 26.6878; 15.6509 90; 97.072; 90 | 3274.3 | Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling Catalysis Science & Technology, 2014, 4, 1658 |
1515995 | CIF | Li2 O3 Ti | C 1 2/c 1 | 5.041; 8.806; 9.727 90; 100.008; 90 | 425.2 | Dorrian, J F; Newnham, R E Refinement of the structure of Li~2~ Ti O~3~ Materials Research Bulletin, 1969, 4, 179-184 |
1515999 | CIF | C61 H48 Cl Fe O3 P2 Rh | P 1 | 9.356; 10.965; 12.863 75.982; 74.937; 78.025 | 1221.5 | Tanaka, Kenichi; Kinbara, Kazushi Toward autonomously operating molecular machines driven by transition-metal catalyst. Molecular bioSystems, 2008, 4, 512-514 |
1516015 | CIF | C68 H72 N2 O4 | P -1 | 10.3183; 17.5597; 17.9247 118.281; 100.373; 94.895 | 2758.18 | Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Wang, Guojie; De Feyter, Steven; Iglesias, Eva Fernandez; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen; Bruce, Duncan W. Rigid tetracatenar liquid crystals derived from 1,10-phenanthroline Soft Matter, 2008, 4, 2172 |
1516026 | CIF | C25 H24 N2 P2 | P 1 21/n 1 | 14.493; 10.329; 15.392 90; 109.523; 90 | 2171.68 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
1516027 | CIF | C32 H38 N2 P2 | P -1 | 10.216; 10.318; 14.379 79.664; 76.635; 71.842 | 1391.7 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
1516028 | CIF | C30 H31 N O P2 | P 1 21/n 1 | 8.608; 22.505; 13.765 90; 106.913; 90 | 2551.3 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
1516029 | CIF | C33.5 H34 Cl5 N O P2 Si Ti | P 1 21 1 | 11.53; 15.337; 20.85 90; 103.737; 90 | 3581.6 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
1516030 | CIF | C30 H25 N O P2 | P -1 | 8.701; 10.666; 13.938 70.248; 84.203; 81.578 | 1202.4 | Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J. A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation Catalysis Science & Technology, 2014, 4, 2574 |
1516123 | CIF | C21 H20 F3 N O2 | P -1 | 6.186; 9.6029; 16.4251 77.495; 80.955; 87.557 | 940.68 | Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570 |
1516124 | CIF | C21 H23 N O2 | P -1 | 7.7051; 10.8189; 11.1726 75.918; 86.59; 87.802 | 901.49 | Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570 |
1516125 | CIF | C31 H39 N5 O8 S2 Zn | P 1 21/c 1 | 21.5392; 14.9764; 11.0367 90; 102.006; 90 | 3482.3 | Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615 |
1516126 | CIF | C30 H40 I N3 O4 Zn | P 1 21/c 1 | 20.7881; 19.8405; 7.4304 90; 97.665; 90 | 3037.3 | Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615 |
1516127 | CIF | C46 H64 Cl6 N6 O7 Zn | P -1 | 11.5808; 12.8843; 18.9944 78.363; 87.683; 87.378 | 2771.6 | Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615 |
1516128 | CIF | C92 H126 Cl3 Cr2 Li N2 O5 | P 31 2 1 | 18.945; 18.945; 25.39 90; 90; 120 | 7892 | Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology, 2014, 4, 1547 |
1516136 | CIF | C78 H64 Cl2 O2 P4 Rh2 | C 1 2/m 1 | 29.9133; 18.7802; 19.2461 90; 114.861; 90 | 9810.1 | Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409 |
1516137 | CIF | C50 H47 Cl O2 P2 Rh | P -1 | 10.1367; 10.1518; 21.075 93.865; 102.017; 108.917 | 1985.2 | Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409 |
1516155 | CIF | C24 H46 Al4 N2 O2 | P -1 | 7.361; 10.0951; 10.6561 103.037; 95.097; 96.205 | 761.67 | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025 |
1516156 | CIF | C22 H38 Al4 N2 O2 | P 1 21/n 1 | 8.751; 15.3173; 10.1026 90; 90.1329; 90 | 1354.17 | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025 |
1516157 | CIF | C31 H54 Al4 N2 O2 | P 1 21/n 1 | 7.1092; 21.245; 12.33 90; 92.839; 90 | 1859.98 | Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025 |
1516240 | CIF | C20 H16 O3 | P 1 21/c 1 | 14.24; 6.321; 36.476 90; 98.915; 90 | 3243.6 | Yang, Shu-Wen; Elangovan, Arumugasamy; Ho, Tong-Ing Donor-substituted phenyl-pi-chromones: electrochemiluminescence and intriguing electronic properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 327-332 |
1516241 | CIF | C34 H32 B2 Cl4 N13 O3 Pr | P 1 21/n 1 | 10.414; 21.894; 17.805 90; 99.73; 90 | 4001.2 | Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 829-834 |
1516242 | CIF | C34 H32 B2 Cl4 Er N13 O3 | P 1 21/n 1 | 10.8892; 20.125; 18.381 90; 105.919; 90 | 3873.6 | Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 829-834 |
1516243 | CIF | C22 H24 Si | C 1 2/c 1 | 15.986; 12.999; 18.745 90; 107.35; 90 | 3718 | Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480 |
1516244 | CIF | C29 H28 O Si | P n a 21 | 17.088; 10.053; 13.654 90; 90; 90 | 2345.6 | Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480 |
1516245 | CIF | C20 H18 N4 O2 | P 1 21/c 1 | 7.173; 10.269; 22.512 90; 90.57; 90 | 1658.14 | Insińska-Rak, Malgorzata; Sikorska, Ewa; Herance, Jose R.; Bourdelande, Jose L.; Khmelinskii, Igor V.; Kubicki, Maciej; Prukała, Wiesław; Machado, Isabel F.; Komasa, Anna; Ferreira, Luis F. V.; Sikorski, Marek Spectroscopy and photophysics of flavin-related compounds: 3-benzyl-lumiflavin. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 463-468 |
1516246 | CIF | C19 H24 N2 O2 | P 1 21/n 1 | 17.287; 12.249; 17.804 90; 103.09; 90 | 3672 | Lohmeyer, Britta; Margaretha, Paul Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 637-640 |
1516247 | CIF | C14 H18 N2 O | P 1 21/c 1 | 18.7448; 6.7681; 22.9068 90; 111.483; 90 | 2704.2 | Lohmeyer, Britta; Margaretha, Paul Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 637-640 |
1516248 | CIF | C39 H59 Au2 Br O2 P2 | P 1 2/a 1 | 17.211; 12.442; 22.955 90; 105.75; 90 | 4731 | Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 149-153 |
1516249 | CIF | C54 H42 Au2 Cl2 P2 | P 1 21/n 1 | 12.258; 16.047; 23.166 90; 98.75; 90 | 4503.8 | Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 149-153 |
1516520 | CIF | C27 H26 Cr F3 N4 O5 | P 1 21/c 1 | 12.2189; 13.6109; 15.9826 90; 102.501; 90 | 2595.1 | Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E. Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides Catalysis Science & Technology, 2014, 4, 1652 |
1516521 | CIF | C28 H33 Cl Cr N5 O4 | P 1 21/n 1 | 9.8802; 14.1274; 19.4439 90; 94.197; 90 | 2706.73 | Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E. Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides Catalysis Science & Technology, 2014, 4, 1652 |
1516575 | CIF | C79 H68 B2 F24 N O P2 Rh Si | P -1 | 16.6243; 16.8939; 17.7667 110.65; 107.187; 106.29 | 4026.5 | Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol., 2014, 4, 3486 |
1516576 | CIF | C89 H77 B F24 O P3 Rh | P -1 | 12.9076; 17.803; 19.959 87.9991; 74.6948; 87.0039 | 4416.68 | Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol., 2014, 4, 3486 |
1517096 | CIF | C12 H12 Mo O5 | P 21 21 21 | 8.5556; 10.4982; 14.8086 90; 90; 90 | 1330.08 | Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol., 2014, 4, 4219 |
1517097 | CIF | C13 H14 Mo O5 | P b c a | 10.3022; 11.1065; 23.6758 90; 90; 90 | 2709 | Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol., 2014, 4, 4219 |
1517098 | CIF | C20 H24 Mo O5 | P 21 21 21 | 7.417; 7.6621; 34.3794 90; 90; 90 | 1953.77 | Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E. Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation Catal. Sci. Technol., 2014, 4, 4219 |
1517104 | CIF | C56 H106 Fe4 N10 O23 Y2 | P 1 21/c 1 | 19.1485; 16.4725; 24.797 90; 101.162; 90 | 7673.6 | Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K. Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions. Beilstein journal of nanotechnology, 2013, 4, 807-814 |
1517105 | CIF | C68 H133 Dy2 Fe4 N13 O22 | P -1 | 13.9237; 14.5196; 25.1289 82.856; 79.71; 65.545 | 4542.9 | Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K. Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions. Beilstein journal of nanotechnology, 2013, 4, 807-814 |
1517180 | CIF | C12 H8 O S | P c a 21 | 14.959; 4.722; 26.639 90; 90; 90 | 1882 | Zhong, Yanzhen; Yuan, Linxin; Huang, Zheng; Gu, Wenchao; Shao, Ye; Han, Wei Unexpected hydrazine hydrate-mediated aerobic oxidation of aryl/ heteroaryl boronic acids to phenols in ambient air RSC Adv., 2014, 4, 33164-33167 |
1517197 | CIF | C47.5 H40 Cl2 O7.5 P2 | P 21 21 21 | 13.973; 16.4623; 22.216 90; 90; 90 | 5110.3 | Qiu, Liqin; Qi, Jianying; Pai, Cheng-Chao; Chan, Shusun; Zhou, Zhongyuan; Choi, Michael C. K.; Chan, Albert S. C. Synthesis of novel diastereomeric diphosphine ligands and their applications in asymmetric hydrogenation reactions. Organic letters, 2002, 4, 4599-4602 |
1517199 | CIF | C26 H34 O5 S2 | P -1 | 9.1151; 10.0902; 13.9221 89.227; 85.947; 83.901 | 1270 | Xu, Jianwei; Lai, Yee-Hing Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane† Organic Letters, 2002, 4, 3211 |
1517200 | CIF | C27 H38 Cl Na O10 S2 | P 1 21/c 1 | 20.1965; 9.2913; 16.3782 90; 90.883; 90 | 3073.03 | Xu, Jianwei; Lai, Yee-Hing Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane† Organic Letters, 2002, 4, 3211 |
1517202 | CIF | C18 H24 Cl N O2 | P 1 21 1 | 8.117; 7.669; 28.305 90; 94.859; 90 | 1755.6 | Chauhan, ManMohan Singh; Yadav, Geeta Devi; Hussain, Firasat; Singh, Surendra N-Fluorobenzenaminium tetrafluoroborate generated in situ by aniline and Selectfluor as a reusable catalyst for the ring opening of epoxides with amines under microwave irradiation Catal. Sci. Technol., 2014, 4, 3945 |
1517270 | CIF | C61 H54 Cl4 N4 O2 P2 Zn2 | P 21 21 21 | 12.4064; 17.4016; 25.8891 90; 90; 90 | 5589.23 | Lippert, Cameron A.; Liu, Kun; Sarma, Moushumi; Parkin, Sean R.; Remias, Joseph E.; Brandewie, Christine M.; Odom, Susan A.; Liu, Kunlei Improving carbon capture from power plant emissions with zinc- and cobalt-based catalysts Catal. Sci. Technol., 2014, 4, 3620 |
1517301 | CIF | C48 H40 Br2 P2 Pd | P 21 21 21 | 11.5105; 14.3683; 25.09 90; 90; 90 | 4149.5 | Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes Catalysis Science & Technology, 2014, 4, 2626 |
1517302 | CIF | C40.5 H43 Br2 O0.5 P2 Pd | P 1 21 1 | 12.1698; 12.3293; 26.72 90; 98.314; 90 | 3967.1 | Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes Catalysis Science & Technology, 2014, 4, 2626 |
1517303 | CIF | C25 H26 Br2 Cl2 N O P Pd | P 1 21 1 | 10.2832; 12.9507; 10.9322 90; 112.013; 90 | 1349.8 | Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes Catalysis Science & Technology, 2014, 4, 2626 |
1517441 | CIF | C23 H29 Ir N2 | P -1 | 7.8138; 14.5845; 19.1054 68.745; 87.157; 75.844 | 1965.7 | Forberg, Daniel; Obenauf, Johannes; Friedrich, Martin; Hühne, Sven-Martin; Mader, Werner; Motz, Günter; Kempe, Rhett The synthesis of pyrroles via acceptorless dehydrogenative condensation of secondary alcohols and 1,2-amino alcohols mediated by a robust and reusable catalyst based on nanometer-sized iridium particles Catal. Sci. Technol., 2014, 4, 4188 |
1517513 | CIF | C13 H11 F6 N4 P | P 1 21/m 1 | 6.2172; 16.4455; 7.0797 90; 102.836; 90 | 705.77 | Markovits, Iulius I. E.; Anthofer, Michael H.; Kolding, Helene; Cokoja, Mirza; Pöthig, Alexander; Raba, Andreas; Herrmann, Wolfgang A.; Fehrmann, Rasmus; Kühn, Fritz E. Efficient epoxidation of propene using molecular catalysts Catal. Sci. Technol., 2014, 4, 3845 |
1518356 | CIF | C2 H13 Co N4 O9 | P 1 21/n 1 | 7.8532; 10; 13.192 90; 105.06; 90 | 1000.4 | Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate Crystals, 2014, 4, 490 |
1520844 | CIF | As2 Ce K3 O8 | P 1 21/m 1 | 7.607; 5.837; 9.879 90; 91.2; 90 | 438.552 | Belam, W.; Zid, M.F.; Daoud, A.; Driss, A. Preparation et etude structurale du tripotassium cerium(III) bis-arseniate: K3 Ce (As O4)2 Journal de la Societe Chimique, Tunis, 2000, 4, 715-722 |
1520845 | CIF | Al1.887 As3 Na3 O12 Y0.111 | R -3 c :H | 13.354; 13.354; 18.335 90; 90; 120 | 2831.62 | Belam, W.; Daoud, A.; Driss, A.; Madani, A. Elaboration et etude radiocristallographique du trisodium yttrium-aluminium triarsenic dodecaoxyde Na3 Y0.11 Al1.89 (As O4)3 R . Effet du dopage par Na2 O sur la conductivite electrique Journal de la Societe Chimique, Tunis, 2000, 4, 735-743 |
1521041 | CIF | Cl Cr O3 Rb | P 1 21/c 1 | 7.857; 7.711; 8.055 90; 90.43; 90 | 488.001 | Foster, J.J.; Sterns, M. Crystal structures of cesium and rubidium chlorochromates, Cs Cr O3 Cl and Rb Cr O3 Cl Journal of Crystal and Molecular Structure, 1974, 4, 149-164 |
1521788 | CIF | Hg S0.4 Se0.6 | F -4 3 m | 6.008; 6.008; 6.008 90; 90; 90 | 216.865 | Kharkhorin, F.F.; Pashkovskii, M.V.; Lutsiv, R.V.; Petrov, V.M.; Svekolkina, L.G.; Mikhailyuk, G.P. Solid solutions in the Hg Se-Hg S sytem Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1968, 4, 39-43 |
1522282 | CIF | Fe23 Yb6 | F m -3 m | 11.95; 11.95; 11.95 90; 90; 90 | 1706.49 | Kripyakevich, P.I.; Voroshilov, Yu.V.; Frankevich, D.P. Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron Poroshkovaya Metallurgiya, 1965, 4, 915-919 |
1522597 | CIF | La Pd5 | P 6/m m m | 5.3; 5.3; 4.431 90; 90; 120 | 107.791 | Ning Yuantao; Zhu Jianzhong; Zheng Yun; Zhou Xinming; Chen Nianyi; Xu Hua The prediction and synthesis of some new intermetallic compounds between transition metals and rare earth metals Xiyou Jinshu, 1985, 4, 31-34 |
1522702 | CIF | Al0.724 Cu2.68 Zn0.596 | F m -3 m | 5.859; 5.859; 5.859 90; 90; 90 | 201.127 | Planes, A.; Macqueron, J.L.; Vives, E.; Rodriguez-Carvajal, J.; Morin, M.; Manosa, L.; Guerin, G. Neutron diffraction study of of long-range atomic order in Cu-Al-Zn shape memory alloys Journal of Physics: Condensed Matter, 1992, 4, 553-559 |
1522727 | CIF | Fe0.92 Sn0.08 | I m -3 m | 2.925; 2.925; 2.925 90; 90; 90 | 25.025 | Predel, B.; Frebel, M. Precipitation behavior of alpha-solid solutions of the Fe-Sn system Metallurgical Transactions, 1973, 4, 243-249 |
1522842 | CIF | Mg Tb | P m -3 m | 3.778; 3.778; 3.778 90; 90; 90 | 53.924 | Schaefer, W.; Will, G.; Buschow, K.H.J. Magnetic structure and magnetic properties of Tb Mg Journal of Magnetism and Magnetic Materials, 1977, 4, 28-35 |
1522993 | CIF | Mo0.41 Os0.59 | P 63/m m c | 2.76; 2.76; 4.418 90; 90; 120 | 29.146 | Taylor, A.; Doyle, N.J.; Kagle, B.J. The constitution diagram of the system Mo-Os Journal of the Less-Common Metals, 1962, 4, 436-450 |
1522994 | CIF | Mo3 Os | P m -3 n | 4.9693; 4.9693; 4.9693 90; 90; 90 | 122.712 | Taylor, A.; Doyle, N.J.; Kagle, B.J. The constitution diagram of the system Mo-Os Journal of the Less-Common Metals, 1962, 4, 436-450 |
1522997 | CIF | H3 Li O6 Se2 | P 1 n 1 | 6.2554; 7.8823; 5.4339 90; 105.325; 90 | 258.402 | Tellgren, R.; Liminga, R. Hydrogen bond studies. 54. A neutron diffraction study of the ferroelectric lithium trihydrogen selenite, Li H3 (Se O3)2 Journal of Solid State Chemistry, 1972, 4, 255-261 |
1523025 | CIF | Hf Ti | P 63/m m c | 3.01; 3.01; 4.83 90; 90; 120 | 37.898 | Tylkina, M.A.; Pekarev, A.I.; Savitskii, E.M. Phase diagram of the titanium-hafnium system Zhurnal Neorganicheskoi Khimii, 1959, 4, 2320-2322 |
1523068 | CIF | Pt3 V | I 4/m m m | 3.839; 3.839; 7.796 90; 90; 90 | 114.897 | Waterstrat, R.M. The vanadium platinum constitution diagram Metallurgical Transactions, 1973, 4, 455-466 |
1523148 | CIF | Fe0.9 Pt0.1 | I m -3 m | 2.9143; 2.9143; 2.9143 90; 90; 90 | 24.752 | Zwell, L.; Speich, G.R.; Leslie, W.C. Effects of Co, Cr, Ir, Pt, Re, Rh, and Ru on the lattice parameter and density of alpha iron Metallurgical Transactions, 1973, 4, 1990-1992 |
1523149 | CIF | Fe0.9 Ru0.1 | I m -3 m | 2.8934; 2.8934; 2.8934 90; 90; 90 | 24.223 | Zwell, L.; Speich, G.R.; Leslie, W.C. Effects of Co, Cr, Ir, Pt, Re, Rh, and Ru on the lattice parameter and density of alpha iron Metallurgical Transactions, 1973, 4, 1990-1992 |
1523236 | CIF | Ga3 Hf3 Nb2 | P 63/m c m | 7.879; 7.879; 5.447 90; 90; 120 | 292.84 | Belyavina, N.N.; Suprunenko, P.A.; Markiv, V.Ya.; Shevchenko, I.P. Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions Metallofizkika, 1982, 4, 179-184 |
1523237 | CIF | Ga3 Hf2 Ti3 | P 63/m c m | 7.782; 7.782; 5.424 90; 90; 120 | 284.468 | Belyavina, N.N.; Suprunenko, P.A.; Markiv, V.Ya.; Shevchenko, I.P. Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions Metallofizkika, 1982, 4, 105-108 |
1523238 | CIF | Ga3 Ti2 Zr3 | P 63/m c m | 7.954; 7.954; 5.532 90; 90; 120 | 303.099 | Belyavina, N.N.; Shevchenko, I.P.; Suprunenko, P.A.; Markiv, V.Ya. Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions Metallofizkika, 1982, 4, 105-108 |
1523239 | CIF | Ga3 Ti3 Zr2 | P 63/m c m | 7.823; 7.823; 5.437 90; 90; 120 | 288.162 | Belyavina, N.N.; Shevchenko, I.P.; Markiv, V.Ya.; Suprunenko, P.A. Magnetic and X-ray diffraction investigations of the (Zr, Ti)5 Ga3, (Hf, Ti)5 Ga3 and (Hf, Nb)5 Ga3 solid solutions Metallofizkika, 1982, 4, 105-108 |
1523437 | CIF | Os Tc | P 63/m m c | 2.74; 2.74; 4.344 90; 90; 120 | 28.244 | Darby, J.B.jr.; Downey, J.W.; Norton, L.J.; Lam, D.J. Intermediate phases in binary systems of technetium-99 with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1523438 | CIF | Re Tc | P 63/m m c | 2.75; 2.75; 4.437 90; 90; 120 | 29.059 | Darby, J.B.jr.; Lam, D.J.; Norton, L.J.; Downey, J.W. Intermediate phases in binary systems of technetium-99 with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1523439 | CIF | Hf Tc | P m -3 m | 3.27; 3.27; 3.27 90; 90; 90 | 34.966 | Darby, J.B.jr.; Lam, D.J.; Downey, J.W.; Norton, L.J. Intermediate phases in binary systems of technetium-99 with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1523606 | CIF | Ir Mg3 | P 63/m m c | 4.549; 4.549; 8.229 90; 90; 120 | 147.472 | Ferro, R.; Rambaldi, G.; Capelli, R. Research on the alloys of noble metals with the more electropositive elements. V. Micrographic and X-ray examination of some Mg-Ir alloys Journal of the Less-Common Metals, 1962, 4, 16-23 |
1523775 | CIF | Li0.14 Mg0.86 | P 63/m m c | 3.1994; 3.1994; 5.1702 90; 90; 120 | 45.833 | Hardie, D.; Parkins, R.N. Lattice spacing relationships in magnesium solid solutions Philosophical Magazine, Serie 8(1956-), 1959, 4, 815-825 |
1523816 | CIF | Li0.184 Mg0.816 | P 63/m m c | 3.1918; 3.1918; 5.1319 90; 90; 120 | 45.277 | Herbstein, F.H.; Averbach, B.L. The structure of lithium-magnesium solid solutions. I. Measurements on the Bragg reflections Acta Metallurgica, 1956, 4, 407-413 |
1523817 | CIF | Li0.3 Mg0.7 | I m -3 m | 3.517; 3.517; 3.517 90; 90; 90 | 43.503 | Herbstein, F.H.; Averbach, B.L. The structure of lithium-magnesium solid solutions Acta Metallurgica, 1956, 4, 407-413 |
1523818 | CIF | Li0.81 Mg0.19 | F m -3 m | 4.378; 4.378; 4.378 90; 90; 90 | 83.913 | Herbstein, F.H.; Averbach, B.L. The structure of lithium-magnesium solid solutions. I. Measurements on the Bragg reflections Acta Metallurgica, 1956, 4, 407-413 |
1523919 | CIF | O3 Re1.13 | P 63 2 2 | 4.835; 4.835; 4.535 90; 90; 120 | 91.812 | Jeitschko, W.; Sleight, A.W. The rhenium-oxygen system at high pressure: Structure and characterization of a new rhenium oxide Journal of Solid State Chemistry, 1972, 4, 324-330 |
1523929 | CIF | Ru Si Ti | I m a 2 | 7.0352; 11.192; 6.4734 90; 90; 90 | 509.702 | Johnson, V.; Jeitschko, W. Ternary equiatomic transition metal silicides and germanides Journal of Solid State Chemistry, 1972, 4, 123-130 |
1524010 | CIF | O7 Sr2 V2 | P 41 | 7.055; 7.055; 25.64 90; 90; 90 | 1276.18 | Baglio, J.A.; Dann, J.N. The crystal structure of beta strontium pyrovanadate Journal of Solid State Chemistry, 1972, 4, 87-93 |
1524276 | CIF | Cr0.7 Mo0.3 | I m -3 m | 2.936; 2.936; 2.936 90; 90; 90 | 25.309 | Dutchak, Ya.I.; Chekh, V.G. High-temperature X-ray diffraction study of Cr - V and Cr - Mo solid solutions Metallofizkika, 1982, 4, 100-103 |
1524315 | CIF | Er Fe0.6 Mn1.4 | F d -3 m :1 | 7.425; 7.425; 7.425 90; 90; 90 | 409.345 | Elliott, R.P. Laves phases of the rare earths with transition elements Rare Earths in Modern Science and Technology, (Rare Earth Res. Conf.), 1965, 4, 215-245 |
1524404 | CIF | Er Rh2 | F d -3 m :1 | 7.465; 7.465; 7.465 90; 90; 90 | 415.996 | Ghassem, H.; Raman, A. The Er - Rh system Metallurgical Transactions, 1973, 4, 745-748 |
1524485 | CIF | In0.144 Mg1.856 | P 63/m m c | 3.2003; 3.2003; 5.2128 90; 90; 120 | 46.236 | Hardie, D.; Parkins, R.N. Lattice spacing relationships in magnesium solid solutions Philosophical Magazine, Serie 6 (1901-1925), 1959, 4, 815-825 |
1524500 | CIF | Co0.8 Ni0.2 Zr | I m -3 m | 3.1975; 3.1975; 3.1975 90; 90; 90 | 32.691 | Harris, I. R.; Hossain, D.; Barraclough, K. G. The constitution of the binary equiatomic alloys of Zr with Fe, Co and Ni Scripta Metallurgica, 1970, 4, 305-308 |
1524501 | CIF | Co Zr | I m -3 m | 3.1963; 3.1963; 3.1963 90; 90; 90 | 32.654 | Harris, I. R.; Hossain, D.; Barraclough, K. G. The constitution of the binary equiatomic alloys of Zr with Fe, Co and Ni Scripta Metallurgica, 1970, 4, 305-308 |
1524800 | CIF | Cu1.74 In0.96 | P 63/m m c | 4.269; 4.269; 5.239 90; 90; 120 | 82.686 | Laves, F.; Wallbaum, H.J. Ueber einige neue Vertreter des Ni As-Typs und ihre kristallchemische Bedeutung Zeitschrift fuer Angewandte Mineralogie, 1942, 4, 17-46 |
1524801 | CIF | Fe1.715 Ge0.975 | P 63/m m c | 4.031; 4.031; 5.022 90; 90; 120 | 70.67 | Laves, F.; Wallbaum, H.J. Ueber einige neue Vertereter des NiAs-Typs und ihre kristallchemische Bedeutung Zeitschrift fuer Angewandte Mineralogie, 1942, 4, 17-46 |
1524853 | CIF | Al O3 Sm | P b n m | 5.2912; 5.2904; 7.474 90; 90; 90 | 209.216 | Marezio, M.; Dernier, P.D.; Remeika, J.P. The crystal structures of orthorhombic Sm Al O3 and of trigonal Nd Al O3 Journal of Solid State Chemistry, 1972, 4, 11-19 |
1524985 | CIF | Dy Ir3 | P m -3 m | 3.842; 3.842; 3.842 90; 90; 90 | 56.712 | Ning Yuantao; Zhou Xinming; Zheng Yun; Chen Nianyi; Xu Hua; Zhu Jianzhong The prediction and synthesis of some new intermetallic compounds between transition metals and rare-earth metals Xiyou Jinshu, 1985, 4, 31-34 |
1524992 | CIF | Ba Mn O3 | P 63/m m c | 5.694; 5.694; 4.806 90; 90; 120 | 134.943 | Norlund Christensen, A.; Ollivier, G. Hydrothermal and high-pressure preparation of some Ba Mn O3 modifications and low-temperature magnetic properties of Ba Mn O3 (2H) Journal of Solid State Chemistry, 1972, 4, 131-137 |
1525040 | CIF | C H16 Cl2 Co N6 O8.5 | C m c m | 8.164; 20.737; 7.724 90; 90; 90 | 1307.65 | Ozbirn, W.; Jacobson, R.A. The crystal and molecular structure of the perchlorate and chloride of (N H3)5 (C N Co2)(+) Inorganica Chimica Acta, 1970, 4, 377-382 |
1525160 | CIF | Fe O4 V | P -1 | 6.719; 8.06; 9.254 96.65; 106.57; 101.6 | 462.459 | Robertson, B.; Kostiner, E. Crystal structure and Moessbauer effect investigation of Fe V O4 Journal of Solid State Chemistry, 1972, 4, 29-37 |
1525524 | CIF | Fe0.9 Ir0.1 | I m -3 m | 2.9023; 2.9023; 2.9023 90; 90; 90 | 24.447 | Zwell, L.; Leslie, W.C.; Speich, G.R. Effects of Co, Cr, Ir, Pt, Re, Rh, and Ru on the lattice parameter and density of alpha-iron Metallurgical Transactions, 1973, 4, 1990-1992 |
1525597 | CIF | Br3 Mo | P n m m :2 | 6.595; 11.423; 6.06 90; 90; 90 | 456.528 | Babel, D. Die Verfeinerung der Mo Br3-Struktur Journal of Solid State Chemistry, 1972, 4, 410-416 |
1526104 | CIF | As0.474 H6 N O4 P0.526 | I -4 2 d | 7.592; 7.592; 7.626 90; 90; 90 | 439.551 | Naili, H.; Mhiri, T.; Daoud, A. Structural, vibrational and calorimetric study of a new ammonium dihydrogen phosphate-arsenate: N H4 H2 (P O4)0.52 (As O4)0.48 International Journal of Inorganic Materials, 2001, 4, 393-400 |
1526126 | CIF | H5 N O4 S | P 1 n 1 | 15.119; 4.58; 15.119 90; 117.86; 90 | 925.57 | Nelmes, R.J. The structure of ammonium hydrogen sulphate in its ferroelectric phase and the ferroelectric transition Ferroelectrics, 1972, 4, 133-140 |
1526343 | CIF | Cr O3 V | R -3 c :H | 4.986; 4.986; 13.762 90; 90; 120 | 296.29 | Reid, A.F.; Sabine, T.M.; Wheeler, D.A. Neutron Diffraction and Other Studies of Magnetic Ordering in Phases Based on Cr2 O3, V2 O3 and Ti2 O3 Journal of Solid State Chemistry, 1972, 4, 400-409 |
1526345 | CIF | Cr0.1 O3 V1.9 | R -3 c :H | 4.998; 4.998; 13.909 90; 90; 120 | 300.898 | Reid, A.F.; Sabine, T.M.; Wheeler, D.A. Neutron Diffraction and Other Studies of Magnetic Ordering in Phases Based on Cr2 O3, V2 O3 and Ti2 O3 Journal of Solid State Chemistry, 1972, 4, 400-409 |
1526474 | CIF | Ni O60 Sb W17 | P -1 | 13.115; 13.276; 15.024 107.05; 114.24; 105.02 | 2052.97 | Jeannin, Y. Synthese et etude structurale d'un nouvel heteropolytungstate substitue :Na8(H3X(III)M(II)W17O59(H2O))*36(H2 O)(X=Sb(III) ,Bi(III) et M=Mn(2+),Co(2+),Ni(2+),Cu(2+),Zn(2+)) de structure identique a celle de (H2X(III)W18O60)(7-) (X=AS,BI) C.R. Acad. Sci. Paris, T. 1, Serie II, 2001, 4, 683-690 |
1526568 | CIF | N Na O2 | I m 2 m | 3.642; 5.653; 5.375 90; 90; 90 | 110.662 | Kay, M.I. The structure of sodium nitrite at 150, 185, 225 C Ferroelectrics, 1972, 4, 235-243 |
1526902 | CIF | Li O7 P2 Sc | P 1 21 1 | 7.021; 8.393; 4.94 90; 109.71; 90 | 274.046 | Vitins, G.; Kanepe, Z.; Vitins, A.; Dindune, A.; Ronis, J.; Lusis, A. Structural and conductivity studies in Li Fe P2 O7, Li Sc P2 O7 and Na Sc P2 O7 Journal of Solid State Electrochemistry, 2000, 4, 146-152 |
1527026 | CIF | Al56 Na56 O384 Si136 | F d -3 m :2 | 24.7499; 24.7499; 24.7499 90; 90; 90 | 15160.7 | Yonkeu, A.L.; Buschmann, V.; Miehe, G.; Martens, J.A.; Fuess, H.; Goossens, A.M. Structural characterization of a new "core-shell" zeolite overgrowth system: faujasite on micro-sized EMT crystals Crystal Engineering, 2001, 4, 253-267 |
1527027 | CIF | Al20 Na20 O192 Si76 | P 63/m m c | 17.4426; 17.4426; 28.446 90; 90; 120 | 7495.05 | Yonkeu, A.L.; Buschmann, V.; Goossens, A.M.; Miehe, G.; Martens, J.A.; Fuess, H. Structural characterization of a new "core-shell" zeolite overgrowth system: faujasite on micro-sized EMT crystals Crystal Engineering, 2001, 4, 253-267 |
1527088 | CIF | O17 P6 Sr2 | P 1 1 21 | 7.158; 7.172; 13.025 90; 90; 105.26 | 645.09 | Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.G.; Lavrov, A.V. Structure of crystals of strontium ultraphosphate Sr2 P6 O17 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 448-454 |
1527122 | CIF | La2 S3 | P n m a | 7.66; 4.22; 15.95 90; 90; 90 | 515.587 | Basancon, P.; Laruelle, P.; Flahaut, J.; Adolphe, C. Sur les varietes alpha et beta des sulfures L2 S3 des terres rares Materials Research Bulletin, 1969, 4, 227-238 |
1527274 | CIF | Tc Ti | P m -3 m | 3.11; 3.11; 3.11 90; 90; 90 | 30.08 | Darby, J.B.jr.; Lam, D.J.; Downey, J.W.; Norton, L.J. Intermediate phases in binary systems of technetium-99 with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1527275 | CIF | Tc V | P m -3 m | 3.025; 3.025; 3.025 90; 90; 90 | 27.681 | Darby, J.B.jr.; Lam, D.J.; Norton, L.J.; Downey, J.W. Intermediate phases in binary systems of technetium-99 with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1527276 | CIF | Ru Tc | P 63/m m c | 2.727; 2.727; 4.326 90; 90; 120 | 27.86 | Darby, J.B.jr.; Lam, D.J.; Norton, L.J.; Downey, J.W. Intermediate phases in binary systems of technetium with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1527277 | CIF | Ta Tc | P m -3 m | 3.172; 3.172; 3.172 90; 90; 90 | 31.915 | Darby, J.B.jr.; Norton, L.J.; Lam, D.J.; Downey, J.W. Intermediate phases in binary systems of technetium-99 with several transition elements Journal of the Less-Common Metals, 1962, 4, 558-563 |
1527394 | CIF | Ce Ga1.4 Sn0.6 | P 6/m m m | 4.357; 4.357; 4.388 90; 90; 120 | 72.139 | Garde, C.S.; Ray, J.; Chandra, G. Thermoelectric power and resistivity studies in the Kondo-lattice system Ce Ga2 with Sn or Al substitutions and R Ga2 (R= Ho, Dy, Tb) alloys Journal of Physics: Condensed Matter, 1992, 4, 4821-4828 |
1527395 | CIF | Ga2 Tb | P 6/m m m | 4.18; 4.18; 4.015 90; 90; 120 | 60.753 | Garde, C.S.; Ray, J.; Chandra, G. Thermoelectric power and resistivity studies in the Kondo- lattice system Ce Ga2 with Sn of Al substitutions and R Ga2 (R= Ho, Dy, Tb) alloys Journal of Physics: Condensed Matter, 1992, 4, 4821-4828 |
1527487 | CIF | Cd Na O4 P | P 21 n b | 6.5; 10.842; 5.051 90; 90; 90 | 355.959 | Hata, M.; Akao, M.; Okada, K.; Iwai, S.I.; Aoki, H. The crystal structure of Na Cd P O4 Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report, 1979, 4, 43-48 |
1527597 | CIF | Ru Si Zr | P -6 2 m | 6.6838; 6.6838; 3.6717 90; 90; 120 | 142.051 | Johnson, V.; Jeitschko, W. Ternary Equiatomic Transition Metal Silicides and Germanides Journal of Solid State Chemistry, 1972, 4, 123-130 |
1527615 | CIF | I3 Li2 O9 Rb | P 1 1 21/b | 8.46; 11.22; 11.09 90; 90; 112 | 976.024 | Kalinin, V.P.; Karataeva, I.M.; Vinogradov, E.E.; Vavilin, V.I.; Plyukhin, V.V.; Pakhomov, V.I. Crystal structure of Rb I O3 (Li I O3)2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 444-447 |
1527761 | CIF | Ru V | P m -3 m | 2.99; 2.99; 2.99 90; 90; 90 | 26.731 | Marezio, M.; Dernier, P.D.; Chu, C.W. Low-temperature X-ray diffraction studies of near-equiatomic V Ru alloys Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1971, 4, 2825-2826 |
1527860 | CIF | C6 H5 Co K N6 O2.5 Sr | P n m a | 12.95; 14; 7.414 90; 90; 90 | 1344.16 | Mys'kiv, M.G.; Kryvlyuk, L.N.; Glovyak, T.; Gladyshevskii, E.I. Crystal structure of Sr K (Co (C N)6) (H2 O)2.5 and Ca K (Co (C N)6) (H2 O)2.5 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 127-133 |
1527861 | CIF | C6 H5 Ca Co K N6 O2.5 | P n m a | 12.83; 13.62; 7.345 90; 90; 90 | 1283.5 | Mys'kiv, M.G.; Kryvlyuk, L.N.; Gladyshevskii, E.I.; Glovyak, T. Crystal structure of Sr K (Co (C N)6) (H2 O)2.5 and Ca K (Co (C N)6) (H2 O)2.5 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 127-133 |
1527903 | CIF | Al Rh U | P -6 2 m | 6.9808; 6.9808; 4.0063 90; 90; 120 | 169.077 | Paixao, J.A.; Lander, G.H.; Nakotte, H.; Brown, P.J.; de Boer, F.R.; Brueck, E. Magnetization density in U Rh Al - evidende for hybridazation effects Journal of Physics: Condensed Matter, 1992, 4, 829-846 |
1528263 | CIF | Be3 F12 K2 Mg2 | P 21 3 | 9.875; 9.875; 9.875 90; 90; 90 | 962.967 | le Fur, Y.; Aleonard, S. Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite Materials Research Bulletin, 1969, 4, 601-616 |
1528264 | CIF | Be3 F12 K2 Zn2 | P 21 3 | 9.932; 9.932; 9.932 90; 90; 90 | 979.738 | le Fur, Y.; Aleonard, S. Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite Materials Research Bulletin, 1969, 4, 601-616 |
1528265 | CIF | Be3 Cd2 F12 Rb2 | P 21 3 | 10.385; 10.385; 10.385 90; 90; 90 | 1120 | le Fur, Y.; Aleonard, S. Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite Materials Research Bulletin, 1969, 4, 601-616 |
1528266 | CIF | Be3 Ca2 Cs2 F12 | P 21 3 | 10.672; 10.672; 10.672 90; 90; 90 | 1215.45 | le Fur, Y.; Aleonard, S. Etude d'orthofluoroberyllates Me(I)2 Me(II)2 (Be F4)3 de structure Langbeinite Materials Research Bulletin, 1969, 4, 601-616 |
1528732 | CIF | F6 K2 Pt | P -3 m 1 | 5.76; 5.76; 4.64 90; 90; 120 | 133.319 | Mellor, D.P.; Stephenson, N.C. The Crystal Structure of Potassium Hexafluoroplatinate(IV) Australian Journal of Scientific Research, Series A: Physical Sciences, 1951, 4, 406-411 |
1529569 | CIF | Cl37 Nd O12 P10 Sn2 | P -1 | 21.58; 12.28; 12.25 92.08; 96.28; 91.24 | 3223.6 | Aslanov, L.A.; Ionov, V.M.; Rybakov, V.B.; Lebedev, V.G.; Kulikovskii, B.N.; Gilyarov, O.N.; Novoderezhkina, T.L. Crystal structure of ((Cl3 P O)6 Nd (mue-O2 P Cl2)2 - Sn Cl4) Sn Cl5 (P O Cl3)2 isolated from a Nd Cl3 O P Cl3-Sn Cl4 laser liquid Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 113-118 |
1529716 | CIF | Al4 Co1.9 H11.6 O29.8 Si8 | R -3 m :R | 9.427; 9.427; 9.427 94.02; 94.02; 94.02 | 831.272 | Calligaris, M.; Randaccio, L.; Nardin, G. Crystal structures of hydrated and dehydrated forms of a Co(II)-exchanged chabazite Zeolites, 1984, 4, 251-254 |
1529717 | CIF | Al4 Co1.67 Na0.21 O24 Si8 | R -3 m :R | 9.351; 9.351; 9.351 92.56; 92.56; 92.56 | 815.139 | Calligaris, M.; Nardin, G.; Randaccio, L. Crystal structures of hydrated and dehydrated forms of a Co(II)-exchanged chabazite Zeolites, 1984, 4, 251-254 |
1529727 | CIF | Al11.1 H78 Na14.4 O111 Si24.9 | R -3 m :H | 13.822; 13.822; 15.155 90; 90; 120 | 2507.43 | Cartlidge, S.; Meier, W.M. Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form Zeolites, 1984, 4, 218-225 |
1529728 | CIF | Al7.2 H13.68 Na12.8 O54.84 Si16.8 | C 1 2/m 1 | 12.87; 13.51; 15.45 90; 142.5; 90 | 1635.34 | Cartlidge, S.; Meier, W.M. Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form Zeolites, 1984, 4, 218-225 |
1529729 | CIF | Al7.2 H11.76 Na9.52 O53.88 Si16.8 | C 1 2/m 1 | 13.12; 13.57; 15.81 90; 143; 90 | 1693.98 | Cartlidge, S.; Meier, W.M. Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form Zeolites, 1984, 4, 218-225 |
1529730 | CIF | Al3.6 H2.4 Na3.68 O25.2 Si8.4 | P -4 3 m | 8.93; 8.93; 8.93 90; 90; 90 | 712.122 | Cartlidge, S.; Meier, W.M. Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form Zeolites, 1984, 4, 218-225 |
1529731 | CIF | Al10.8 Na7.96 O72 Si25.2 | P 63/m m c | 13.06; 13.06; 15.61 90; 90; 120 | 2305.79 | Cartlidge, S.; Meier, W.M. Solid state transformations of synthetic CHA and EAB-type zeolites in the sodium form Zeolites, 1984, 4, 218-225 |
1529732 | CIF | Al10.8 H16.2 K11.08 O80.1 Si25.2 | P -3 m 1 | 13.41; 13.41; 15.35 90; 90; 120 | 2390.54 | Cartlidge, S.; Keller, E.B.; Meier, W.M. Role of potassium in the thermal stability of CHA- and EAB-type zeolites Zeolites, 1984, 4, 226-230 |
1529733 | CIF | Al10.8 K9.08 O72 Si25.2 | P 63/m m c | 13.07; 13.07; 15.1 90; 90; 120 | 2233.87 | Cartlidge, S.; Keller, E.B.; Meier, W.M. Role of potassium in the thermal stability of CHA- and EAB-type zeolites Zeolites, 1984, 4, 226-230 |
1530383 | CIF | Al H O8 Si3 | I m -3 m | 14.982; 14.982; 14.982 90; 90; 90 | 3362.86 | McCusker, L.B. Crystal structures of the ammonium and hydrogen forms of zeolite rho Zeolites, 1984, 4, 51-55 |
1530443 | CIF | Al57 H48 Na27 O408 Si135 | F d -3 m :2 | 24.66; 24.66; 24.66 90; 90; 90 | 14996.1 | Mortier, W.J.; van den Bossche, E.; Uytterhoeven, J.B. Influence of the temperature and water adsorption on the cation location in Na-Y zeolites Zeolites, 1984, 4, 41-44 |
1530444 | CIF | Al57.0048 Na46.4 O390.4 Si134.995 | F d -3 m :2 | 24.872; 24.872; 24.872 90; 90; 90 | 15386.2 | Mortier, W.J.; Uytterhoeven, J.B.; van den Bossche, E. Influence of the temperature and water adsorption on the cation location in Na-Y zeolites Zeolites, 1984, 4, 41-44 |
1530445 | CIF | Al57.0048 Na50.24 O384 Si134.995 | F d -3 m :2 | 24.786; 24.786; 24.786 90; 90; 90 | 15227.2 | Mortier, W.J.; Uytterhoeven, J.B.; van den Bossche, E. Influence of the temperature and water adsorption on the cation location in Na-Y zeolites Zeolites, 1984, 4, 41-44 |
1530521 | CIF | F6 H10 Mn O5 Zr | B 1 1 2/m | 15.715; 8.896; 7.514 90; 90; 56.506 | 876.026 | Otroshchenko, L.P.; Davidovich, R.L.; Simonov, V.I. Crystal structure of manganese hexafluorozirconate pentahydrate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1416-1419 |
1530528 | CIF | Br4 Cs2 Hg | P n m a | 10.237; 7.918; 13.882 90; 90; 90 | 1125.23 | Pakhomov, V.I.; Fedorova, N.M.; Ivanova-Korfini, I.N. Structure of the (Hg Br4)2- ion in the Cs2 Hg Br4 crystal Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1765-1766 |
1530542 | CIF | Cs O12 P4 Tb | P 1 1 21 | 7.032; 8.705; 9.051 90; 90; 100 | 545.627 | Palkina, K.; Chibiskova, N.T.; Kuznetsova, V.G.; Maksimova, S.I. Crystal structure of the compound Cs Tb (P O3)4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1092-1095 |
1530608 | CIF | K2 N4 O8 Pt | P 1 21/a 1 | 7.771; 12.795; 9.219 90; 95.93; 90 | 911.74 | Porai-Koshits, M.A.; Kukina, G.A.; Nikolaev, V.P. Crystal structure of potassium tetranitroplatinate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1435-1440 |
1530734 | CIF | Al Cl3 H3 N | P b c a | 9.895; 10.148; 11.544 90; 90; 90 | 1159.19 | Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I. Structure and vibrational spectra of aluminium chloride monoammoniate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1649-1652 |
1530752 | CIF | Co H12 I2 O6 | P -3 1 m | 7.26; 7.26; 4.79 90; 90; 120 | 218.645 | Shchukarev, S.A.; Stroganov, E.V.; Andreev, S.N.; Purvinskij, O.F. Investigation of crystal structure of crystallohydrates of transition metal salts. structure Co I26 (H2 O) Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1963, 4, 63-66 |
1530901 | CIF | S2 Ti1.083 | P -3 m 1 | 3.413; 3.413; 5.717 90; 90; 120 | 57.673 | Tronc, E.; Moret, R. Structure refinement of nonstoichiometric Ti S2 (Ti1.083 S2) Synthetic metals, 1981, 4, 113-118 |
1530920 | CIF | Cl3 F2 H8 N2 Sb | P 1 1 21/b | 15.58; 17.37; 7.46 90; 90; 123.35 | 1686.41 | Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L. Crystal structure of (N H4)2 Sb Cl3 F2 and Rb2 Sb Cl3 F2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 305-310 |
1530921 | CIF | Cl3 F2 Rb2 Sb | P -1 | 13.12; 7.53; 7.55 59.1; 83.6; 78.4 | 626.921 | Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L. Crystal structure of (N H4)2 Sb Cl3 F2 and Rb2 Sb Cl3 F2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 305-310 |
1531113 | CIF | F Nd O | R -3 m :H | 3.95015; 3.95015; 19.6283 90; 90; 120 | 265.241 | Beaury, L.; Derouet, J.; Holsa, J.; Lastusaari, M.; Rodriguez-Carvajal, J. Neutron powder diffraction studies of stoichiometric Nd O F between1.5 and 300 K Solid State Sciences, 2002, 4, 1039-1043 |
1531115 | CIF | F0.74 Ga H0.26 Li O4.26 P | P -1 | 7.1748; 5.2639; 5.1022 98.015; 108.854; 107.035 | 168.42 | Beitone, L.; Ferey, G.; Guillou, N.; Loiseau, T.; Millange, F. Structural characterizations of lithium gallium phosphates, analogous to the amblygonite-montebrasite series Solid State Sciences, 2002, 4, 1061-1065 |
1531184 | CIF | Nd1.68 O6.52 Ti2 | F d -3 m :2 | 10.233; 10.233; 10.233 90; 90; 90 | 1071.54 | Chu, M.-W.; Ganne, M.; Caldes, M.; Joubert, O.; Piffard, Y.; Brohan, L. Synthesis and structural characterization of the new defect pyrochlore Nd1.68 Ti2 O6.52 Solid State Sciences, 2002, 4, 167-173 |
1531192 | CIF | F15.04 Ge7.55 Mg28 O32 | P b a m | 14.343; 10.196; 5.9075 90; 90; 90 | 863.92 | Bless, P.W.; von Dreele, R.B.; Kostiner, E.; Hughes, R.E. Anion and Cation Defect in Magnesium Fluorogermanate Journal of Solid State Chemistry, 1972, 4, 262-268 |
1531239 | CIF | Fe Mn2 Na2 O12 P3 | C 1 2/c 1 | 12.049; 12.624; 6.507 90; 114.559; 90 | 900.218 | Daidouh, A.; Veiga, M.L.; Durio, C.; Ouassini, A.; Chouaibi, N.; Pico, C. 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 |
1531287 | CIF | H9 O11 P2 Sm | P 1 21/n 1 | 6.635; 11.529; 11.7581 90; 92.02; 90 | 898.876 | Chehimi-Moumen, F.; Ferid, M.; Ben Hassen-Chehimi, D.; Trabelsi-Ayadi, M. Synthesis and single crystal structure of H Sm P2 O7 * 4(H2 O) Solid State Sciences, 2002, 4, 979-983 |
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