Crystallography Open Database
Search results
Result: there are 1861 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching volume of publication is 130
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4111374 | CIF | C47 H65 B Fe O0.5 P3 | C 1 2/c 1 | 38.9359; 24.277; 20.2369 90; 112.917; 90 | 17619 | David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes Journal of the American Chemical Society, 2008, 130, 4166-4176 |
| 4111375 | CIF | C17 H18 Fe | P 1 21/n 1 | 10.6044; 7.4583; 16.4746 90; 95.097; 90 | 1297.84 | David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes Journal of the American Chemical Society, 2008, 130, 4166-4176 |
| 4111376 | CIF | C16 H20 Ru | P 1 21/c 1 | 7.7045; 32.9298; 15.2583 90; 90.97; 90 | 3870.59 | David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes Journal of the American Chemical Society, 2008, 130, 4166-4176 |
| 4121938 | CIF | C15 H18 Cl N O | P 1 21 1 | 8.852; 9.106; 9.389 90; 113.263; 90 | 695.3 | Curran, Dennis P.; Guthrie, David B.; Geib, Steven J. How do analogous alpha-chloroenamides and alpha-iodoenamides give different product distributions in 5-endo radical cyclizations? Journal of the American Chemical Society, 2008, 130, 8437-8445 |
| 4123999 | CIF | H6 O9 Si Ti2 | P 1 | 11.0342; 11.0342; 11.8797 90; 90; 90 | 1446.4 | Celestian, A.J.; Kubicki, J.D.; Parise, J.B.; Clearfield, A.; Hanson, J. The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate Journal of the American Chemical Society, 2008, 130, 11689-11694 |
| 4124000 | CIF | Cs H3 O8 Si Ti2 | P 1 | 11.0342; 11.0342; 11.8797 90; 90; 90 | 1446.4 | Celestian, A.J.; Kubicki, J.D.; Hanson, J.; Parise, J.B.; Clearfield, A. The mechanism responsible for extraordinary Cs ion selectivity in crystalline silicotitanate Journal of the American Chemical Society, 2008, 130, 11689-11694 |
| 4124013 | CIF | D Ga Ge Sr | P 3 m 1 | 4.2221; 4.2221; 4.9691 90; 90; 120 | 76.712 | Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124014 | CIF | Ba D Ga Si | P 3 m 1 | 4.2776; 4.2776; 5.1948 90; 90; 120 | 82.319 | Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124015 | CIF | Ba D Ga Ge | P 3 m 1 | 4.3344; 4.3344; 5.1895 90; 90; 120 | 84.433 | Evans, M.J.; Garcia-Garcia, F.J.; Holland, G.P.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124016 | CIF | Ba D Ga Sn | P 3 m 1 | 4.559; 4.559; 5.298 90; 90; 120 | 95.363 | Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124017 | CIF | Ca Ga H Si | P 3 m 1 | 4.0911; 4.0911; 4.7628 90; 90; 120 | 69.036 | Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124018 | CIF | Ca Ga Ge H | P 3 m 1 | 4.1509; 4.1509; 4.7995 90; 90; 120 | 71.616 | Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124019 | CIF | Ca Ga H Sn | P 3 m 1 | 4.3852; 4.3852; 4.9679 90; 90; 120 | 82.734 | Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124020 | CIF | Ga H Si Sr | P 3 m 1 | 4.1881; 4.1881; 5.0025 90; 90; 120 | 75.989 | Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124021 | CIF | Ga Ge H Sr | P 3 m 1 | 4.2502; 4.2502; 5.0207 90; 90; 120 | 78.544 | Evans, M.J.; Haeussermann, U.; Holland, G.P.; Garcia-Garcia, F.J. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124022 | CIF | Ga H Sn Sr | P 3 m 1 | 4.4829; 4.4829; 5.1912 90; 90; 120 | 90.348 | Evans, M.J.; Haeussermann, U.; Garcia-Garcia, F.J.; Holland, G.P. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124023 | CIF | Ba Ga H Si | P 3 m 1 | 4.3015; 4.3015; 5.2703 90; 90; 120 | 84.451 | Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124024 | CIF | Ba Ga Ge H | P 3 m 1 | 4.3758; 4.3758; 5.2687 90; 90; 120 | 87.367 | Evans, M.J.; Holland, G.P.; Garcia-Garcia, F.J.; Haeussermann, U. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124025 | CIF | Ba Ga H Sn | P 3 m 1 | 4.5914; 4.5914; 5.4257 90; 90; 120 | 99.055 | Evans, M.J.; Holland, G.P.; Haeussermann, U.; Garcia-Garcia, F.J. Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca, Sr, Ba; E = Si, Ge, Sn) Journal of the American Chemical Society, 2008, 130, 12139-12147 |
| 4124085 | CIF | C6 Ag3 Fe N6 | P -3 1 m | 6.7172; 6.7172; 7.5196 90; 90; 120 | 293.834 | Goodwin, A.L.; Keen, D.A.; Dove, M.T.; Tucker, M.G.; Peters, L.; Evans, J.S.O. Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues Journal of the American Chemical Society, 2008, 130, 9660-9661 |
| 4124086 | CIF | C6 Co D3 N6 | P -3 1 m | 6.41294; 6.41294; 5.71973 90; 90; 120 | 203.714 | Goodwin, A.L.; Dove, M.T.; Tucker, M.G.; Keen, D.A.; Evans, J.S.O.; Peters, L. Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues Journal of the American Chemical Society, 2008, 130, 9660-9661 |
| 4124094 | CIF | Ga5.76 H19.872 K5.76 O41.936 Si10.24 | I 41/a :2 | 10.0668; 10.0668; 9.6466 90; 90; 90 | 977.591 | Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T. Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology Journal of the American Chemical Society, 2008, 130, 2842-2850 |
| 4124095 | CIF | Ga5.76 H19.328 K5.76 O41.664 Si10.24 | I 41/a :2 | 10.0517; 10.0517; 9.6148 90; 90; 90 | 971.447 | Lee Yongjae; Kim Sun Jin; Vogt, T.; Kao Chichang Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology Journal of the American Chemical Society, 2008, 130, 2842-2850 |
| 4124096 | CIF | Ga5.76 H23.168 K5.76 O43.584 Si10.24 | I 41/a :2 | 10.0548; 10.0548; 9.5433 90; 90; 90 | 964.818 | Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T. Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology Journal of the American Chemical Society, 2008, 130, 2842-2850 |
| 4124097 | CIF | Ga5.76 H23.808 K5.76 O43.904 Si10.24 | I 41/a :2 | 10.0835; 10.0835; 9.4084 90; 90; 90 | 956.618 | Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T. Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology Journal of the American Chemical Society, 2008, 130, 2842-2850 |
| 4124098 | CIF | Ga5.76 H23.84 K5.76 O43.92 Si10.24 | I 41/a :2 | 10.0741; 10.0741; 9.3033 90; 90; 90 | 944.169 | Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T. Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology Journal of the American Chemical Society, 2008, 130, 2842-2850 |
| 4124099 | CIF | Ga5.76 H24.736 K5.76 O44.368 Si10.24 | I 41/a :2 | 10.0621; 10.0621; 9.2185 90; 90; 90 | 933.335 | Lee Yongjae; Kim Sun Jin; Kao Chichang; Vogt, T. Pressure-induced hydration and order-disorder transition in a synthetic potassium gallosilicate zeolite with gismondine topology Journal of the American Chemical Society, 2008, 130, 2842-2850 |
| 4124104 | CIF | Sm2 Te4.9 | P 1 | 4.3392; 4.3483; 21.8438 90; 95.679; 90 | 410.129 | Malliakas, C.D.; Iavarone, M.; Fedor, J.; Kanatzidis, M.G. Coexistence and coupling of two distinct charge density waves in Sm2 Te5 Journal of the American Chemical Society, 2008, 130, 3310-3312 |
| 4124111 | CIF | Fe O2 Sr | P 4/m m m | 3.99107; 3.99107; 3.47481 90; 90; 90 | 55.349 | Tassel, C.; Watanabe, T.; Tsujimoto, Y.; Takano, M.; Kitada, A.; Sumida, Y.; Hayashi, N.; Yoshimura, K.; Yamamoto, T.; Kageyama, H. Stability of the infinite layer structure with iron square planar coordination Journal of the American Chemical Society, 2008, 130, 3764-3765 |
| 4124112 | CIF | Ca0.2 Fe O2 Sr0.8 | P 4/m m m | 3.95638; 3.95638; 3.42098 90; 90; 90 | 53.548 | Tassel, C.; Watanabe, T.; Hayashi, N.; Tsujimoto, Y.; Kitada, A.; Kageyama, H.; Yoshimura, K.; Yamamoto, T.; Sumida, Y.; Takano, M. Stability of the infinite layer structure with iron square planar coordination Journal of the American Chemical Society, 2008, 130, 3764-3765 |
| 4124113 | CIF | Ca0.4 Fe O2 Sr0.6 | P 4/m m m | 3.9578; 3.9578; 3.38003 90; 90; 90 | 52.945 | Tassel, C.; Watanabe, T.; Tsujimoto, Y.; Hayashi, N.; Kitada, A.; Sumida, Y.; Yamamoto, T.; Takano, M.; Kageyama, H.; Yoshimura, K. Stability of the infinite layer structure with iron square planar coordination Journal of the American Chemical Society, 2008, 130, 3764-3765 |
| 4124114 | CIF | Ca0.8 Fe O2 Sr0.2 | P 4/m m m | 3.9028; 3.9028; 3.29132 90; 90; 90 | 50.133 | Tassel, C.; Sumida, Y.; Tsujimoto, Y.; Watanabe, T.; Kitada, A.; Hayashi, N.; Kageyama, H.; Yoshimura, K.; Yamamoto, T.; Takano, M. Stability of the infinite layer structure with iron square planar coordination Journal of the American Chemical Society, 2008, 130, 3764-3765 |
| 4124115 | CIF | Ca Fe O2 | P 4/m m m | 3.89079; 3.89079; 3.35433 90; 90; 90 | 50.779 | Tassel, C.; Watanabe, T.; Sumida, Y.; Hayashi, N.; Takano, M.; Tsujimoto, Y.; Kitada, A.; Yamamoto, T.; Kageyama, H.; Yoshimura, K. Stability of the infinite layer structure with iron square planar coordination Journal of the American Chemical Society, 2008, 130, 3764-3765 |
| 4124119 | CIF | Be F2 | C 1 2/c 1 | 6.97192; 12.02685; 6.96194 90; 120.02; 90 | 505.449 | Zwijnenburg, M.A.; Bell, R.G.; Cora, F. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087 |
| 4124120 | CIF | Be F2 | P -4 3 n | 8.529749; 8.529749; 8.529749 90; 90; 90 | 620.596 | Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087 |
| 4124121 | CIF | Be F2 | R -3 m :H | 13.1285; 13.1285; 14.42939 90; 90; 120 | 2153.82 | Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087 |
| 4124122 | CIF | Be Cl2 | I -4 3 m | 19.79146; 19.79146; 19.79146 90; 90; 90 | 7752.35 | Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087 |
| 4124123 | CIF | Be Cl2 | P 32 | 11.51593; 11.51593; 8.400845 90; 90; 120 | 964.832 | Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087 |
| 4124124 | CIF | Be Cl2 | P -4 3 n | 9.845269; 9.845269; 9.845269 90; 90; 90 | 954.295 | Zwijnenburg, M.A.; Cora, F.; Bell, R.G. Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2 Journal of the American Chemical Society, 2008, 130, 11082-11087 |
| 4125324 | CIF | C23 H41 Cu N5 O10 | C 1 2 1 | 19.2665; 4.8848; 30.5146 90; 92.5; 90 | 2869.1 | Mantion, Alexandre; Massüger, Lars; Rabu, Pierre; Palivan, Cornelia; McCusker, Lynne B.; Taubert, Andreas Metal‒Peptide Frameworks (MPFs): “Bioinspired” Metal Organic Frameworks Journal of the American Chemical Society, 2008, 130, 2517-2526 |
| 5000232 | CIF | Ca2 O7 Si2 Zn | P -4 21 m | 7.8279; 7.8279; 5.0138 90; 90; 90 | 307.2 | Louisnathan, S J Refinemente of the crystal structure of Hardystonite, Ca2 Zn Si2 O7 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 427-437 |
| 6000726 | CIF | Li3 N4 Nb Sr2 | P n n m | 8.713; 9.007; 7.006 90; 90; 90 | 549.82 | Chen, X. Z.; Eick, H. A. Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta) Journal of Solid State Chemistry, 1997, 130, 1-8 |
| 6000727 | CIF | Li3 N4 Sr2 Ta | P n n m | 8.7; 9.004; 7 90; 90; 90 | 548.34 | Chen, X. Z.; Eick, H. A. Synthesis and structure of two new quaternary nitrides: Li3Sr2MN4 (M=Nb, Ta) Journal of Solid State Chemistry, 1997, 130, 1-8 |
| 8103720 | CIF | Al6.4 Ca2.96 H30 O63 Si17.6 | C 1 2 1 | 9.04; 17.75; 9.08 90; 111.83; 90 | 1352.5 | Slaughter, M.; Kane, W.T. The crystal structure of disordered epistibite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 68-87 |
| 8104229 | CIF | Al2.06 Ca1.03 H7.74 O19.87 Si5.94 | P 1 c 1 | 6.73; 13.96; 10.02 90; 111.5; 90 | 875.883 | Leimer, H.W.; Slaughter, M. The determination and refinement of the crystal structure of yugawaralite Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1969, 130, 88-111 |
| 9008178 | CIF | Ca0.1 F Fe0.25 Mg0.7 Mn0.95 O4 P | I 1 2/a 1 | 12.065; 6.454; 9.937 90; 107.093; 90 | 739.591 | Waldrop, L. The crystal structure of triplite, (Mn,Fe)2FPO4 Zeitschrift fur Kristallographie, 1969, 130, 1-14 |
| 9008179 | CIF | As2 Pb2 S5 | P 1 21 1 | 7.9; 25.74; 8.37 90; 90.35; 90 | 1701.97 | Ribar, B.; Nicca, C.; Nowacki, W. Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20 Zeitschrift fur Kristallographie, 1969, 130, 15-40 |
| 9008180 | CIF | Ge Mn O3 | P b c a | 19.267; 9.248; 5.477 90; 90; 90 | 975.899 | Fang, J. H.; Townes, W. D.; Robinson, P. D. The crystal structure of manganese metagermanate, MnGeO3 Note: x coordinate of O6 altered to a reasonable value Zeitschrift fur Kristallographie, 1969, 130, 139-147 |
| 9008181 | CIF | K O12 P3 Zr2 | R -3 c :H | 8.71; 8.71; 23.89 90; 90; 120 | 1569.58 | Sljukic, M.; Matkovic, B.; Prodic, B.; Anderson, D. The crystal structure of KZr2(PO4)3 Zeitschrift fur Kristallographie, 1969, 130, 148-161 |
| 9008182 | CIF | Ca O3 Si | P -1 | 6.695; 9.257; 6.666 86.5; 76.133; 70.383 | 377.723 | Trojer, F. J. The crystal structure of a high pressure polymorph of CaSiO3 Note: high-pressure polymorph of wollastonite synthesized at 6.5 GPa, 1300 C Zeitschrift fur Kristallographie, 1969, 130, 185-206 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!