Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100183 | CIF | C23 H39 Cl2 N O3 | P 21 21 21 | 8.52; 12.123; 24.105 90; 90; 90 | 2489.76 | T.Bach; H.Bergmann; K.Harms Angew.Chem.,Int.Ed.Engl., 2000, 39, 2302 |
| 1100242 | CIF | C17 H19 N S | P 1 21 1 | 9.56; 18.546; 9.671 90; 119; 90 | 1499.68 | Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus Asymmetric Synthesis of a Chiral Secondary Grignard Reagent Angewandte Chemie, International Edition, 2000, 39, 3072-3074 |
| 1100504 | CIF | C36 H61 B2 Li3 O Si2 | P n m a | 13.9028; 15.9059; 17.6689 90; 90; 90 | 3907.24 | Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions Angewandte Chemie, International Edition, 1999, 38, 2936-2939 |
| 1100505 | CIF | C40 H71 B2 Li3 O2 Si2 | P 21 21 21 | 14.858; 16.2; 18.192 90; 90; 90 | 4378.81 | Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions Angewandte Chemie, International Edition, 1999, 38, 2936-2939 |
| 1100566 | CIF | C60 H45 F4 I7 N3 P3 | P -1 | 9.332; 14.066; 23.767 94.19; 101.15; 96.89 | 3023.88 | Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine Angewandte Chemie, International Edition, 1999, 38, 222-225 |
| 1100567 | CIF | C37 H32 Cl2 I6 N2 P2 | P -1 | 9.856; 13.461; 16.698 95.99; 94.87; 97.53 | 2173.31 | Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine Angewandte Chemie, International Edition, 1999, 38, 222-225 |
| 1100568 | CIF | C72 H60 I8 N4 P4 | C 1 2/c 1 | 16.16; 24.931; 17.921 90; 96.54; 90 | 7173.12 | Grebe, Jutta; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt Domino Effect in the Buildup of N-I-N-I Chains of the N-Iodine(triphenylphosphane)imine Angewandte Chemie, International Edition, 1999, 38, 222-225 |
| 1100605 | CIF | C44 H98 Cu2 Li4 N4 O8 | P 1 21/n 1 | 12.0874; 14.979; 19.4176 90; 91.095; 90 | 3515.05 | Boche, Gernot; Bosold, Ferdinand; Marsch, Michael; Harms, Klaus The Crystal Structures of a Lower Order and a "Higher Order" Cyanocuprate: [tBuCu(CN)Li(OEt~2~)~2~]~∞~ and [tBuCutBu{Li(thf)(pmdeta)}~2~CN] Angewandte Chemie, International Edition, 1998, 37, 1684-1686 |
| 1100606 | CIF | C35 H80 Cu Li2 N7 O2 | P 1 21/c 1 | 9.1693; 14.9849; 16.6183 90; 100.95; 90 | 2241.8 | Boche, Gernot; Bosold, Ferdinand; Marsch, Michael; Harms, Klaus The Crystal Structures of a Lower Order and a "Higher Order" Cyanocuprate: [tBuCu(CN)Li(OEt~2~)~2~]~∞~ and [tBuCutBu{Li(thf)(pmdeta)}~2~CN] Angewandte Chemie, International Edition, 1998, 37, 1684-1686 |
| 1500039 | CIF | C7 H7 N O | P 1 21/c 1 | 5.05506; 5.51404; 22.95644 90; 101.291; 90 | 627.5 | Thun, Jürgen; Seyfarth, Lena; Senker, Jürgen; Dinnebier, Robert E.; Breu, Josef Polymorphism in benzamide: solving a 175-year-old riddle. Angewandte Chemie (International ed. in English), 2007, 46, 6729-6731 |
| 1501596 | CIF | C24 H30 N3 O10 P | P -3 | 17.1474; 17.1474; 5.3885 90; 90; 120 | 1372.13 | Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed., 2005, 44, 4021-4025 |
| 1501597 | CIF | C21 H24 N3 O10 P | P -3 | 16.9535; 16.9535; 5.2396 90; 90; 120 | 1304.21 | Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed., 2005, 44, 4021-4025 |
| 1501598 | CIF | C24 H24 N3 O10 P | P -3 | 17.4823; 17.4823; 5.0683 90; 90; 120 | 1341.5 | Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets Angew. Chem. Int. Ed., 2005, 44, 4021-4025 |
| 1501624 | CIF | C85 H116 N24 O12 | I 41/a :2 | 23.0674; 23.0674; 16.1892 90; 90; 90 | 8614.4 | Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products Angewandte Chemie International Edition, 2003, 42, 5303-5306 |
| 1501625 | CIF | C64.2 H80.8 N24 S3.2 | I 41/a :2 | 20.988; 20.988; 16.816 90; 90; 90 | 7407.4 | Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products Angewandte Chemie International Edition, 2003, 42, 5303-5306 |
| 1501626 | CIF | C46 H30 N12 S | I 41/a :2 | 23.233; 23.233; 16.274 90; 90; 90 | 8784 | Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products Angewandte Chemie International Edition, 2003, 42, 5303-5306 |
| 1508969 | CIF | C22 H32 F3 N2 O4 | P 21 21 21 | 5.6434; 15.4253; 26.7211 90; 90; 90 | 2326.1 | Christopher R. Jones; M. Khurram N. Qureshi; Fiona R. Truscott; Shang-Te Danny Hsu; Angus J. Morrison; Martin D. Smith A Nonpeptidic Reverse Turn that Promotes Parallel Sheet Structure Stabilized by CH...O Hydrogen Bonds in a Cyclopropane γ-Peptide Angewandte Chemie, International Edition, 2008, 47, 7099-7102 |
| 1508970 | CIF | C1.5 Ca1.5 O4.5 | C 1 2/c 1 | 12.17; 7.12; 9.47 90; 118.37; 90 | 722.026 | Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U. Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction Angewandte Chemie International Edition, 2012, 51, 7041-7045 |
| 1508971 | CIF | C9 Ca9 O27 | C -1 | 12.17; 7.12; 25.32 90; 99.22; 90 | 2165.64 | Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U. Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction Angewandte Chemie International Edition, 2012, 51, 7041-7045 |
| 1509630 | CIF | Ag13 O6 Os | F m -3 c | 13.1712; 13.1712; 13.1712 90; 90; 90 | 2284.95 | Andersen, A.K.; Gunnarsson, O.; Klein, W.; Jansen, M.; Ahlert, S.; Jepsen, O. Ag13 Os O6, a silver oxide with interconnected icosahedral Ag13(4+) clusters and dispersed Os O6(4-) octahedra Angew. Chem. Int. ed., 2003, 42, 4322-4325 |
| 1509683 | CIF | Ag2 Ni O2 | R -3 m :H | 2.9193; 2.9193; 24.031 90; 90; 120 | 177.362 | Schreyer, M.; Jansen, M. Synthesis and characterization of Ag2 Ni O2 showing an uncommon charge distribution Angew. Chem. Int. ed., 2002, 41, 643-646 |
| 1509785 | CIF | Ag2 Cu2 O3 | I 41/a m d :2 | 5.8857; 5.8857; 10.6868 90; 90; 90 | 370.206 | Tejada-Rosales, E.M.; Gomez-Romero, P.; Palacin, M.R. Ag2 Cu2 O3 : the first silver copper oxide Angew. Chem. Int. ed., 1999, 38, 524-525 |
| 1509980 | CIF | Ag8 Ba2 S7 | P m m n :2 | 15.643; 4.407; 10.869 90; 90; 90 | 749.295 | Li, H.; Hwu, S.-J. Electrochemical synthesis of Ba2 Ag8 S7, a quasi-onedimensional barium silver(I) sulfide containing mixed S2-/(S2)2- ligands Angew. Chem. Int. ed., 1999, 38, 3067-3069 |
| 1510019 | CIF | Ag3 N5 O6 | C c m 21 | 5.871; 13.351; 9.397 90; 90; 90 | 736.572 | Mak, T.C.W.; Guo, G.-C. A mu-1,1,1,3,3,3, Azide Anion inside a Trigonal Prism of Silver Centers Angew. Chem. Int. ed., 1998, 37, 3268-3269 |
| 1510031 | CIF | Ag3 P7 Sn | P 1 21/m 1 | 6.36; 11.071; 6.518 90; 108.17; 90 | 436.058 | Shevel'kov, A.V.; Popovkin, B.A.; Shatruk, M.M.; Kovnir, K.A. Ag3 Sn P7: A polyphosphide with a unique infinite(P7) chain and a novel Ag3 Sn heterocluster Angew. Chem. Int. ed., 2000, 39, 2508-2509 |
| 1510065 | CIF | Au Ca2 N | C m c m | 3.58139; 18.06421; 4.91905 90; 90; 90 | 318.238 | Henry, P.F.; Weller, M.T. Ca2 Au N : a nitride containing infinite zigzag gold chains Angew. Chem. Int. ed., 1998, 37, 2855-2857 |
| 1510145 | CIF | Au F5 | P n m a | 9.366; 15.052; 4.84 90; 90; 90 | 682.329 | Seppelt, K.; Hwang, I.-C. Gold pentafluoride: structure and fluoride ion affinity Angew. Chem. Int. ed., 2001, 40, 3690-3693 |
| 1510147 | CIF | Au F6 O2 | P -1 | 4.9331; 4.973; 5.0061 101.321; 90.633; 102.095 | 117.574 | Seppelt, K.; Hwang, I.-C. Gold pentafluoride: structure and fluoride ion affinity Angew. Chem. Int. ed., 2001, 40, 3690-3693 |
| 1510363 | CIF | Au2 Bi16 Br18 Sb2 | P 1 21/c 1 | 10.597; 15.2669; 14.6424 90; 93.544; 90 | 2364.37 | Wahl, B.; Ruck, M.; Kloo, L. The molecular cluster [Bi10 Au2] (Sb Bi3 Br9)2 Angew. Chem. Int. ed., 2008, 47, 3932-3935 |
| 1510568 | CIF | Au5 O2 Rb7 | I m m m | 5.671; 9.301; 16.594 90; 90; 90 | 875.267 | Jansen, M.; Mudring, A.V. Base-induced disproportionation of elemental gold Angew. Chem. Int. ed., 2000, 39, 3066-3067 |
| 1510732 | CIF | B2 K12.5 Mo13 Na0.5 O147 W24 | I m a 2 | 29.665; 39.688; 13.9573 90; 90; 90 | 16432.6 | Leclerc-Laronze, N.; Cadot, E.; Thouvenot, R.; Marrot, J. Structural link between giant molybdenum oxide based ions and derived Keggin structure: modular assemblies based on the [B W11 O39](9-) ion and pentagonal {M' M5} units (M' = W and M = Mo, W) Angew. Chem. Int. ed., 2009, 48, 4986-4989 |
| 1510786 | CIF | B2 Ni O4 | C 1 2/c 1 | 9.2465; 5.5232; 4.4288 90; 108.3; 90 | 214.741 | Roessner, F.; Kinski, I.; Knyrim, J.S.; Johrendt, D.; Glaum, R.; Jakob, S.; Huppertz, H. Formation of edge-sharing B O4 tetrahedra in the high-pressure borate HP-Ni B2 O4 Angew. Chem. Int. ed., 2007, 46, 9097-9100 |
| 1510827 | CIF | B2 S3 | P 1 21/c 1 | 4.039; 10.722; 18.62 90; 96.23; 90 | 801.599 | Krebs, B.; Diercks, H. Crystal structure of B2 S3: Four-membered B2 S2 rings and six-membered B3 S3 rings Angewandte Chemie (Edition international), 1977, 16, 313-313 |
| 1510882 | CIF | B3 Br18 Gd13 | I m m m | 3.9923; 17.0462; 28.3039 90; 90; 90 | 1926.18 | Simon, A.; Oeckler, O.; Kienle, L.; Mattausch, H.J. Ln13 Br18 B3 (Ln= Gd-Tb) - a compound containing a combination of discrete and condensed clusters Angew. Chem. Int. ed., 2002, 41, 4257-4259 |
| 1510926 | CIF | B3 La3 N6 | P -1 | 6.6128; 6.8695; 7.7978 106.06; 90.55; 115.63 | 303.475 | Reckeweg, O.; Meyer, H.J. Lanthanide nitrido borates with six-membered B3 N6 rings: Ln3 B3 N6 Angew. Chem. Int. ed., 1999, 38, 1607-1609 |
| 1511024 | CIF | B Ce N2 | P -1 | 6.5834; 6.7751; 7.7298 106.054; 90.73; 115.524 | 295.514 | Reckeweg, O.; Meyer, H.J. Lanthanide nitrido borates with six-membered B3 N6 rings: Ln3 B3 N6 Angew. Chem. Int. ed., 1999, 38, 1607-1609 |
| 1511081 | CIF | B Cs O8 P2 Zn | P -1 | 7.5062; 7.914; 8.038 118.048; 102.96; 104.498 | 373.887 | Boy, I.; Kniep, R.; Engelmann, H.; Schaefer, G. K (Zn B P2 O8) and A (Zn B P2 O8) (A= NH4+, Rb+, Cs+): Zincoborophosphates as a new class of compounds with tetrahedral framework structures Angew. Chem. Int. ed., 1999, 38, 3642-3644 |
| 1511198 | CIF | B K O8 P2 Zn | C 1 2/c 1 | 12.617; 12.773; 8.415 90; 91.25; 90 | 1355.81 | Kniep, R.; Boy, I.; Schaefer, G.; Engelmann, H. K (Zn B P2 O8) and A (Zn B P2 O8) (A= NH4+, Rb+, Cs+): Zincoborophosphates as a new class of compounds with tetrahedral framework structures Angew. Chem. Int. ed., 1999, 38, 3642-3644 |
| 1511243 | CIF | B N O13.5 P2 V2 | R -3 m :R | 14.1159; 14.1159; 14.1159 71.955; 71.955; 71.955 | 2470.69 | Do, J.; Jacobson, A.J.; Bontchev, R.P. Templated synthesis of vanadium borophosphate cluster anions: (C4 H12 N2)6 ((V O)2 B P2 O10)4n * 6(H2 O), (N H4)18 ((V O)2 B P2 O10)18n * 12(H2 O) and (Na)15 ((V O)2 B P2 O10)5n * 12(H2 O) Angew. Chem. Int. ed., 1999, 38, 1937-1940 |
| 1511292 | CIF | B O8 P2 Rb Zn | P -1 | 7.439; 7.639; 7.861 118.82; 101.73; 103.51 | 353.418 | Boy, I.; Engelmann, H.; Kniep, R.; Schaefer, G. K (Zn B P2 O8) and A (Zn B P2 O8) (A= NH4+, Rb+, Cs+): Zincoborophosphates as a new class of compounds with tetrahedral framework structures Angew. Chem. Int. ed., 1999, 38, 3642-3644 |
| 1511331 | CIF | B Ta4 Te8 | P b a m | 11.016; 16.75499; 3.564 90; 90; 90 | 657.818 | Kleinke, H.; Finckh, E.W.; Tremel, W. Ta4 B Te8: Tantalum telluride cluster chains with encapsulated boron atoms Angew. Chem. Int. ed., 1999, 38, 2054-2057 |
| 1511346 | CIF | B0.88 Li | P 63/m m c | 4.0201; 4.0201; 2.7937 90; 90; 120 | 39.101 | Nesper, R.; Woerle, M. Infinite, linear, unbranched borynide chains in LiBx isoelectronic to polyyne and polycumulene Angew. Chem. Int. ed., 2000, 39, 2349-2353 |
| 1511369 | CIF | B10 F12 | I 41/a :2 | 6.4118; 6.4118; 27.551 90; 90; 90 | 1132.65 | Timms, P.L.; Pardoe, J.A.J.; Norman, N.C.; Rankin, D.W.H.; Parsons, S.; Mackie, I.; Pulham, C.R. The surprising structures of B8 F12 and B10 F12 Angew. Chem. Int. ed., 2003, 42, 571-573 |
| 1511422 | CIF | B18 Cs8 Se18 | P -1 | 10.711; 10.747; 11.144 103.59; 91.61; 109.59 | 1166.68 | Conrad, O.; Krebs, B.; Kueper, J. Selenoboratoborate: (B12 (B Se3)6)8 - Eine neue, ungewoehnliche Kombination bekannter Strukturelemente Angewandte Chemie (Edition international), 1997, 36, 1903-1904 |
| 1511692 | CIF | B8 F12 | P 1 2/c 1 | 24.577; 7.334; 25.493 90; 106.708; 90 | 4401.06 | Pardoe, J.A.J.; Parsons, S.; Mackie, I.; Norman, N.C.; Pulham, C.R.; Rankin, D.W.H.; Timms, P.L. The surprising structures of B8 F12 and B10 F12 Angew. Chem. Int. ed., 2003, 42, 571-573 |
| 1511726 | CIF | B4 Cs12.01 Mo8 O230 W52 | C 1 2/m 1 | 44.833; 25.3156; 26.0622 90; 114.377; 90 | 26942.9 | Cadot, E.; Marrot, J.; Leclerc-Laronze, N.; Thouvenot, R. Structural link between giant molybdenum oxide based ions and derived Keggin structure: modular assemblies based on the [B W11 O39](9-) ion and pentagonal {M' M5} units (M' = W and M = Mo, W) Angew. Chem. Int. ed., 2009, 48, 4986-4989 |
| 1514235 | CIF | Mn2 O3 | R -3 :H | 10.3043; 10.3043; 25.7688 90; 90; 120 | 2369.53 | Ovsyannikov, Sergey V.; Abakumov, Artem M.; Tsirlin, Alexander A.; Schnelle, Walter; Egoavil, Ricardo; Verbeeck, Jo; Van Tendeloo, Gustaaf; Glazyrin, Konstantin V.; Hanfland, Michael; Dubrovinsky, Leonid Perovskite-like Mn2 O3: a path to new manganites Angewandte Chemie. International Edition, 2013, 52, 1494-1498 |
| 1521314 | CIF | O96 Si48 | P 6/m m m | 24.73; 24.73; 10.58 90; 90; 120 | 5603.57 | Mellot-Draznieks, C.; Freeman, C.M.; Gorman, A.M.; Newsam, J.M.; Ferey, G. De novo prediction of inorganic structures developed through automated assembly of secondary building units (AASBU method) Angew. Chem. Int. ed., 2000, 39, 2270-2275 |
| 1522135 | CIF | Ca2 La2 Mn O7 | R -3 :H | 5.62176; 5.62176; 17.31609 90; 90; 120 | 473.942 | Wang, Y.-X.; Lin, J.-H.; Du, Y.; Loong, C.-K.; Qin, R.-W.; Han, B. A hexagonal perovskite intergrowth compound: La2 Ca2 Mn O7 Angew. Chem. Int. ed., 2000, 39, 2730-2732 |
| 1522158 | CIF | Fe Na4 O4 | P -1 | 5.76205; 5.76188; 8.24301 87.877; 71.968; 69.34 | 242.691 | Weller, M.T.; Hector, A.L. The structure of the (Fe(IV) O4)(4-) ion Angew. Chem. Int. ed., 2000, 39, 4162-4163 |
| 1522580 | CIF | Ga9 Mg4 Na | P 6/m m m | 15.43; 15.43; 8.998 90; 90; 120 | 1855.28 | Nesper, R. Nax Mg5-x Ga9, a new intermetallic phase as a link between Zintl phases and metals Angewandte Chemie (Edition international), 1989, 28, 58-59 |
| 1526364 | CIF | C2 N4 Si | P n -3 m :2 | 6.1885; 6.1885; 6.1885 90; 90; 90 | 237.004 | Riedel, R.; Greiner, A.; Aldinger, F.; Bill, J.; Miehe, G.; Fuess, H.; Dressler, W. The first crystalline solids in the ternary Si - C - N system Angewandte Chemie (Edition international), 1997, 36, 603-606 |
| 1526366 | CIF | C N4 Si2 | A b a 2 | 5.44; 13.58; 4.81 90; 90; 90 | 355.34 | Riedel, R.; Greiner, A.; Aldinger, F.; Dressler, W.; Miehe, G.; Fuess, H.; Bill, J. The first crystalline solids in the ternary Si - C - N system Angewandte Chemie (Edition international), 1997, 36, 603-606 |
| 1528352 | CIF | B21 H18 K | C 1 2 1 | 12.486; 7.106; 16.9436 90; 93.81; 90 | 1500.01 | Bernhardt, E.; Brauer, D.J.; Finze, M.; Willner, H. closo-[B21 H18](-): A face-fused diicosahedral borate ion Angewandte Chemie (Edition international), 2007, 46, 2927-2930 |
| 1528378 | CIF | Bi Fe0.25 Ni0.375 O3 Ti0.375 | R 3 c :H | 5.58471; 5.58471; 13.8157 90; 90; 120 | 373.168 | Bridges, C.A.; Kuang Xiaojun; Allix, M.; Suchomel, M.R.; Sterianou, I.; Sinclair, D.C.; Rosseinsky, M.J. A pure bismuth A site polar perovskite synthesized at ambient pressure Angew. Chem. Int. ed., 2007, 46, 8785-8789 |
| 1528379 | CIF | Bi Fe0.25 Mg0.375 O3 Ti0.375 | R 3 c :H | 5.60398; 5.60398; 13.93081 90; 90; 120 | 378.879 | Bridges, C.A.; Allix, M.; Suchomel, M.R.; Sterianou, I.; Kuang Xiaojun; Sinclair, D.C.; Rosseinsky, M.J. A pure bismuth A site polar perovskite synthesized at ambient pressure Angew. Chem. Int. ed., 2007, 46, 8785-8789 |
| 1528435 | CIF | C28 H18 Al F36 Li O10 Si6 | P -1 | 11.0053; 22.828; 24.398 101.66; 102.974; 103.558 | 5592.69 | Decken, A.; Passmore, J.; Wang, X. Cyclic dimethylsiloxanes as pseudo crown ethers: syntheses and characterization of Li (Me2 Si O)5 [Al {O C (C F3)3}4], Li (Me2 Si O)6 [Al {O C (C F3)3}4], and Li (Me2 Si O)6 [Al {O C (C F3)2 Ph}4] Angewandte Chemie (Edition international), 2006, 45, 2773-2777 |
| 1528439 | CIF | C24 H86 F2 Mg6 O24 | P 1 21/c 1 | 10.735; 11.997; 20.223 90; 97.44; 90 | 2582.55 | Dimitrov, A.; Troyanov, S.; Wuttke, S.; Kemnitz, E. Mg6 F2 (O Me)10 (Me O H)14 - An alkoxide fluoride of an alkaline earth metal Angew. Chem. Int. ed., 2008, 47, 190-192 |
| 1528440 | CIF | C24 H86 F2 Mg6 O24 | C 1 2/m 1 | 20.4463; 12.1089; 10.7471 90; 101.027; 90 | 2611.67 | Dimitrov, A.; Wuttke, S.; Troyanov, S.; Kemnitz, E. Mg6 F2 (O Me)10 (Me O H)14 - An alkoxide fluoride of an alkaline earth metal Angew. Chem. Int. ed., 2008, 47, 190-192 |
| 1528470 | CIF | C13 H52 N6.5 O129.125 P4 W30 Zr | P 1 | 15.325; 21.014; 22.173 83.639; 89.636; 84.175 | 7059.89 | Fang Xikui; Hill, C.L. Multiple reversible protonation of polyoxoaniom surfaces: direct observation of dynamic structural effects from proton transfer Angewandte Chemie (Edition international), 2007, 46, 3877-3880 |
| 1528471 | CIF | C18 H72 N9 O127.5 P4 W32 Zr | P -1 | 13.37; 13.4; 45.498 88.422; 82.29; 61.94 | 7122.26 | Fang Xikui; Hill, C.L. Multiple reversible protonation of polyoxoaniom surfaces: direct observation of dynamic structural effects from proton transfer Angewandte Chemie (Edition international), 2007, 46, 3877-3880 |
| 1528472 | CIF | B H4 Li | A m a 2 | 6.4494; 5.307; 5.2919 90; 90; 90 | 181.126 | Filinchuk, Ya.; Chernyshov, D.; Nevidomskyy, A.; Dmitriev, V. High-pressure polymorphism as a step towards destabilization of Li B H4 Angew. Chem. Int. ed., 2008, 47, 529-532 |
| 1528473 | CIF | B H4 Li | F m -3 m | 5.109; 5.109; 5.109 90; 90; 90 | 133.355 | Filinchuk, Ya.; Dmitriev, V.; Chernyshov, D.; Nevidomskyy, A. High-pressure polymorphism as a step towards destabilization of Li B H4 Angew. Chem. Int. ed., 2008, 47, 529-532 |
| 1528478 | CIF | C B11 F10 K2 N | C 1 2/c 1 | 23.935; 9.903; 14.367 90; 126.17; 90 | 2749.06 | Finze, M. Carbon extrusion/cluster contraction: synthesis of the fluorinated cyano-closo-undecaborate K2 [3-N C-closo-B11 F10] Angew. Chem. Int. ed., 2007, 46, 8880-8882 |
| 1528486 | CIF | C26 H86 K2 Nb6 O26 | C 1 2/c 1 | 26.177; 12.1643; 19.151 90; 117.315; 90 | 5418.19 | Flemming, A.; Koeckerling, M. Niobium alcoholate clusters with an octahedral arrangement of metal atoms: [K (C H3 O H)4]2 [Nb6 (O C H3)18] and [Na ([18]crown-6)-(C2 H5 O H)2]2 [Nb6 (O C2 H5)12 (N C S)6] Angew. Chem. Int. ed., 2009, 48, 2605-2608 |
| 1528528 | CIF | Fe27 K3 O248 P8 W49 | P -1 | 21.9605; 22.4724; 28.9946 97.59; 94.326; 90.813 | 14139 | Godin, B.; Chen Ya-Guang; Vaissermann, J.; Gouzerh, P.; Verdaguer, M.; Ruhlmann, L. Coordination chemistry of the hexavacant tungstophosphate (H2 P2 W12 O48)12- with Fe(III) ions: towards structures of increasing size and complexity Angew. Chem. Int. ed., 2005, 44, 3072-3075 |
| 1528628 | CIF | C90 Cl32 | C 1 2/c 1 | 47.5533; 14.9608; 23.2785 90; 118.218; 90 | 14592.9 | Kemnitz, E.; Troyanov, S.I. Connectivity patterns of two C90 isomers provided by the structure elucidation of C90 Cl32 Angew. Chem. Int. ed., 2009, 48, 2584-2587 |
| 1528629 | CIF | C90 Cl32 | P -1 | 14.8335; 15.2243; 16.055 94.6749; 90.1735; 93.7615 | 3605.72 | Kemnitz, E.; Troyanov, S.I. Connectivity patterns of two C90 isomers provided by the structure elucidation of C90 Cl32 Angew. Chem. Int. ed., 2009, 48, 2584-2587 |
| 1528648 | CIF | H45.4 O246.7 Si111.6 | P 42/m n m | 18.2222; 18.2222; 20.0201 90; 90; 90 | 6647.65 | Koyama, Y.; Ikeda, T.; Tatsumi, T.; Kubota, Y. A multi - dimensional microporous silicate that is isomorphous to zeolite MCM-68 Angew. Chem. Int. ed., 2008, 47, 1042-1046 |
| 1528649 | CIF | C9 H27 Li O3 Si4 | P 1 21/c 1 | 9.5294; 15.8334; 12.5068 90; 104.176; 90 | 1829.6 | Krempner, C.; Chisholm, M.H.; Gallucci, J. The multidentate ligand (Me O Me2 Si)3 Si(-): unusual coordination modes in alkali metal silanides Angew. Chem. Int. ed., 2008, 47, 410-413 |
| 1528650 | CIF | C36 H108 K4 O12 Si16 | R -3 :H | 15.1755; 15.1755; 64.3817 90; 90; 120 | 12840.4 | Krempner, C.; Chisholm, M.H.; Gallucci, J. The multidentate ligand (Me O Me2 Si)3 Si(-): unusual coordination modes in alkali metal silanides Angew. Chem. Int. ed., 2008, 47, 410-413 |
| 1528684 | CIF | K12 Li O179.75 Si4 W36 | P -1 | 18.7555; 22.5419; 23.7793 112.543; 96.996; 104.136 | 8739.82 | Leclerc-Laronze, N.; Marrot, J.; Haouas, M.; Taulelle, F.; Herve, G. Step-by-step assembly of trivacant tungstosilicates: synthesis and characterization of tetrameric anions Angewandte Chemie (Edition international), 2006, 45, 139-142 |
| 1528759 | CIF | B2 H8 K Li | P n m a | 7.91337; 4.49067; 13.84396 90; 90; 90 | 491.964 | Nickels, E.A.; Johnson, S.R.; Jones, M.O.; David, W.I.F.; Sommariva, M.; Lowton, R.L.; Edwards, P.P. Tuning the decomposition temperature in complex hydrides: synthesis of a mixed alkali metal borohydride Angew. Chem. Int. ed., 2008, 47, 2817-2819 |
| 1528855 | CIF | N O Ta | C 1 2/m 1 | 12.9862; 3.8909; 6.7254 90; 107.413; 90 | 324.248 | Schilling, H.; Stork, A.; Lerch, M.; Irran, E.; Bredow, T.; Dronskowski, R.; Wolff, H. gamma-Ta O N: A metastable polymorph of tantalum oxynitride Angewandte Chemie (Edition international), 2007, 46, 2931-2934 |
| 1534406 | CIF | As6 Cs7 In3 | P -1 | 8.8013; 9.6512; 14.721 85.486; 85.96; 86.362 | 1241.36 | Gascoin, F.; Sevov, S.C. Cubane with a Handle: [{In3As5}-As]7- in Cs7In3As6 Angewandte Chemie (Edition international), 2002, 41, 1232-1234 |
| 1534410 | CIF | As5 Cs7 In3 Nb | P -1 | 8.8101; 9.6639; 14.7484 85.421; 85.961; 86.421 | 1246.52 | Gascoin, F.; Sevov, S.C. Cubane with a handle: ((In3 As4 Nb) - As)(7-) in Cs7 Nb In3 As5 Angew. Chem. Int. ed., 2002, 41, 1232-1234 |
| 1534490 | CIF | Ba4 Mo12 S18 | P 63/m m c | 10.6985; 10.6985; 14.2264 90; 90; 120 | 1410.17 | Salloum, D.; Gougeon, P.; Potel, M.; Gautier, R. Ba4 Mo12 S18: A superconductor containing the dimeric unit (Mo6)2 S24, the missing link between the Mo6 S14 and Mo9 S17 units Angew. Chem. Int. ed., 2005, 44, 1363-1365 |
| 1534513 | CIF | C2 B36 Si8 Tb1.8 | R -3 m :H | 10.1171; 10.1171; 16.397 90; 90; 120 | 1453.47 | Salvador, J.R.; Mahanti, S.D.; Bilc, D.; Kanatzidis, M.G. Gallium flux synthesis of Tb3-x C2 Si8 (B12)3: a novel quaternary boron-rich phase containing B12-icosahedra Angew. Chem. Int. ed., 2002, 41, 844-846 |
| 1534526 | CIF | O8 Te2 Tl2 U | P -1 | 7.4054; 7.9268; 8.944 94.122; 107.438; 107.18 | 471.077 | Almond, P.M.; McKee, M.L.; Albrecht-Schmitt, T.E. Unusual uranyl tellurites containing (Te2 O6)(4-) ions and three-dimensional networks Angew. Chem. Int. ed., 2002, 41, 3426-3429 |
| 1534529 | CIF | Na8 O42 Te10 U6 | I 21 3 | 16.8969; 16.8969; 16.8969 90; 90; 90 | 4824.15 | Almond, P.M.; McKee, M.L.; Albrecht-Schmitt, T.E. Unusual uranyl tellurites containing (Te2 O6)(4-) ions and three-dimensional networks Angew. Chem. Int. ed., 2002, 41, 3426-3429 |
| 1534596 | CIF | Cl8 Ga2 Sb8 | P n a 21 | 17.549; 9.9173; 12.858 90; 90; 90 | 2237.79 | Lindsjoe, M.; Fischer, A.; Kloo, L. Sb8 (Ga Cl4)2: Isolation of a homopolyatomic antimony cation Angew. Chem. Int. ed., 2004, 43, 2540-2543 |
| 1534622 | CIF | C2 F6 O3 | P -1 | 4.81; 7.477; 7.993 78.91; 86.12; 83.49 | 279.966 | Gobbato, K.I.; Oberhammer, H.; Klapdor, M.F.; Poll, W.; Willner, H.; Mootz, D. Bis(trifluormethyl)trioxid: a first structure of a straightchain trioxide Angewandte Chemie (Edition international), 1995, 34, 2244-2245 |
| 1534678 | CIF | N2 Sr | I 4/m m m | 3.8119; 3.8119; 6.2826 90; 90; 90 | 91.29 | Auffermann, G.; Prots', Yu.; Kniep, R. Sr N and Sr N2 : diazenides by synthesis under high N2-pressure Angewandte Chemie (Edition international), 2001, 40, 547-549 |
| 1534681 | CIF | N Sr | C 1 2/m 1 | 13.46; 3.8096; 6.7228 90; 94.713; 90 | 343.561 | Auffermann, G.; Kniep, R.; Prots', Yu. SrN and SrN2: diazenides by synthesis under high N2-pressure Angew. Chem. Int. ed., 2001, 40, 547-549 |
| 1534683 | CIF | H44 K7 Na O84 S2 W18 | P 1 21/c 1 | 22.2248; 12.6847; 28.2393 90; 96.0234; 90 | 7917.13 | Long De-Liang; Cronin, L.; Abbas, H.; Koegerler, P. Confined electron-transfer reactions within a molecular metal oxide "Trojan Horse" Angew. Chem. Int. ed., 2005, 44, 3415-3419 |
| 1534811 | CIF | H56.7 Ni20 O78.35 P12 | P 63/m | 18.209; 18.209; 6.3898 90; 90; 120 | 1834.81 | Guillou, N.; Gao, Q.-M.; Chang, J.-S.; Forster, P.M.; Noques, M.; Ferey, G.; Cheetham, A.K.; Park, S.-E. Nickel(II) phosphate VSB-5: a magnetic nanoporous hydrogenation catalyst with 24-ring tunnels Angew. Chem. Int. ed., 2001, 40, 2831-2834 |
| 1534911 | CIF | Al4 Bi4 Cl16 Te4 | I -4 | 12.2726; 12.2726; 11.4535 90; 90; 90 | 1725.09 | Beck, J.; Schlueter, S.; Dolg, M. (Bi4 Te4)(4+) - a cube-shaped, polycationic main group element cluster Angew. Chem. Int. ed., 2001, 40, 2287-2290 |
| 1534934 | CIF | Cl Cu20 H92 K12 Li13 O242 P8 W48 | I 4/m | 26.753; 26.753; 21.241 90; 90; 90 | 15202.7 | Mal, S.S.; Kortz, U. The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion Angew. Chem. Int. ed., 2005, 44, 3777-3780 |
| 1534954 | CIF | N18 W | P -3 | 9.3962; 9.3962; 7.2225 90; 90; 120 | 552.233 | Haiges, R.; Boatz, J.A.; Bau, R.; Yousufuddin, M.; Schroer, T.; Schneider, S.; Christe, K.O. Polyazide chemistry: the first binary group 6 azides, Mo (N3)6, W (N3)6, [Mo (N3)7]-, and [W (N3)7-, the [N W (N3)4]- and [N Mo (N3)4]- Angew. Chem. Int. ed., 2005, 44, 1860-1865 |
| 1534982 | CIF | H88 Mo12 N20 O76 S16 | C 1 2/c 1 | 57.0591; 15.6701; 27.4303 90; 116.751; 90 | 21901 | Manos, M.J.; Woollins, J.D.; Slawin, A.M.Z.; Kabanos, T.A. Polyoxomolybdenum(V) sulfite complexes: synthesis, structural and physical studies Angew. Chem. Int. ed., 2002, 41, 2801-2805 |
| 1534984 | CIF | H70 Mo12 N15 Na O59 S8 | C 1 2/m 1 | 18.2657; 14.5326; 14.6891 90; 117.6; 90 | 3455.48 | Manos, M.J.; Woollins, J.D.; Slawin, A.M.Z.; Kabanos, T.A. Polyoxomolybdenum(V) sulfite complexes: synthesis, structural and physical studies Angew. Chem. Int. ed., 2002, 41, 2801-2805 |
| 1534988 | CIF | H36 Mo2 N8 O21 S5 | P -1 | 8.8652; 17.7368; 19.2683 66.916; 88.167; 77.437 | 2715.64 | Manos, M.J.; Woollins, J.D.; Kabanos, T.A.; Slawin, A.M.Z. Polyoxomolybdenum(V) sulfite complexes: synthesis, structural and physical studies Angew. Chem. Int. ed., 2002, 41, 2801-2805 |
| 1534992 | CIF | H14 N2 O24 S4 V6 | P 1 21 1 | 7.596; 20.033; 7.624 90; 91.157; 90 | 1159.91 | Manos, M.J.; Miras, H.N.; Tangoulis, V.; Kabanos, T.A.; Slawin, A.M.Z.; Woollins, J.D. Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies Angew. Chem. Int. ed., 2003, 42, 425-427 |
| 1534996 | CIF | H11 N O9 S1.5 V | P b c m | 7.068; 12.536; 19.968 90; 90; 90 | 1769.25 | Manos, M.J.; Miras, H.N.; Woollins, J.D.; Tangoulis, V.; Slawin, A.M.Z.; Kabanos, T.A. Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies Angew. Chem. Int. ed., 2003, 42, 425-427 |
| 1535000 | CIF | K Rb5 S17 Sn5 Zn4 | I -4 m 2 | 13.8354; 13.8354; 9.8893 90; 90; 90 | 1892.99 | Manos, M.J.; Iyer, R.G.; Quarez, E.; Liao, J.H.; Kanatzidis, M.G. {Sn [Zn4 Sn4 S17]}(6-): A robust open framework based on metal-linked penta-supertetrahedral [Zn4 Sn4 S17](10-) clusters with ion-exchange properties Angew. Chem. Int. ed., 2005, 44, 3552-3555 |
| 1535030 | CIF | Be4 N4 Sr2 | I 4/m c m | 5.62128; 5.62128; 7.5512 90; 90; 90 | 238.609 | Somer, M.; Schnelle, W.; Yarasik, A.; Leoni, S.; Aksel'rud, L.G.; Rosner, H.; Kniep, R. AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals Angew. Chem. Int. ed., 2004, 43, 1088-1092 |
| 1535033 | CIF | Be4 Ca2 N4 | I 4/m c m | 5.5615; 5.5615; 6.8797 90; 90; 90 | 212.791 | Somer, M.; Yarasik, A.; Aksel'rud, L.G.; Schnelle, W.; Leoni, S.; Rosner, H.; Kniep, R. AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals Angew. Chem. Int. ed., 2004, 43, 1088-1088 |
| 1535035 | CIF | Be2 Mg N2 | P -3 m 1 | 2.9553; 2.9553; 5.088 90; 90; 120 | 38.484 | Somer, M.; Yarasik, A.; Schnelle, W.; Aksel'rud, L.G.; Rosner, H.; Leoni, S.; Kniep, R. AE (Be2 N2): Nitridoberyllates of the heavier alkaline-earth metals Angew. Chem. Int. ed., 2004, 43, 1088-1088 |
| 1535071 | CIF | C3 B2 Br3 Ce6 | P 1 2/m 1 | 8.602; 3.829; 10.22 90; 112.53; 90 | 310.926 | Mattausch, H.J.; Simon, A. Rare earth metal boride carbide bromides. A system of building blocks Angewandte Chemie (Edition international), 1995, 34, 1633-1635 |
| 1535073 | CIF | C4 B2 Br6 Gd8 | P 1 21/m 1 | 9.547; 3.693; 12.445 90; 106.68; 90 | 420.312 | Mattausch, H.J.; Simon, A. Rare earth metal boride carbide bromides. A system of building blocks Angewandte Chemie (Edition international), 1995, 34, 1633-1635 |
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