Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1510843 | CIF | B2 Ta | P 6/m m m | 3.078; 3.078; 3.265 90; 90; 120 | 26.789 | Kiessling, R. The borides of tantalum Acta Chemica Scandinavica (1-27,1973-42,1988), 1949, 3, 603-615 |
| 1511077 | CIF | B0.16 Nb2 Ni | F d -3 m :1 | 11.613; 11.613; 11.613 90; 90; 90 | 1566.15 | Kuz'ma, Yu.B.; Fedorov, T.F.; Sobolev, A.S. The system niobium - nickel - boron Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1967, 3, 638-643 |
| 1511179 | CIF | B Hf | F m -3 m | 4.62; 4.62; 4.62 90; 90; 90 | 98.611 | Shulishova, O.I.; Shcherbak, I.A. Superconductivity of the borides of transition and rare-earth metals Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1967, 3, 1304-1306 |
| 1511517 | CIF | B4 Ta3 | I m m m | 3.29; 14; 3.13 90; 90; 90 | 144.168 | Kiessling, R. The borides of tantalum Acta Chemica Scandinavica (1-27,1973-42,1988), 1949, 3, 603-615 |
| 1511559 | CIF | B5.12 Nb64 Ni32 | F d -3 m :1 | 11.613; 11.613; 11.613 90; 90; 90 | 1566.15 | Kuz'ma, Yu.B.; Sobolev, A.S.; Fedorov, T.F. The system niobium - nickel - boron Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1967, 3, 561-565 |
| 1511650 | CIF | B66.8 O0.36 Th | F m -3 c | 23.53; 23.53; 23.53 90; 90; 90 | 13027.6 | Etourneau, J.; Naslain, R.; Kasper, J.S. Structure cristalline de la phase du system bore-thorium. Un nouveau borure a structure type Y B66 Journal of Solid State Chemistry, 1971, 3, 101-111 |
| 1511702 | CIF | B9 Ba Li O15 | R 3 c :H | 11.0223; 11.0223; 17.106 90; 90; 120 | 1799.8 | Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N. Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na) International Journal of Inorganic Materials, 2001, 3, 1015-1023 |
| 1511704 | CIF | B9 Ba Na O15 | R 3 c :H | 11.0933; 11.0933; 17.392 90; 90; 120 | 1853.54 | Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L. Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na) International Journal of Inorganic Materials, 2001, 3, 1015-1023 |
| 1511710 | CIF | B9 Li O15 Sr | R 3 c :H | 10.6129; 10.6129; 17.555 90; 90; 120 | 1712.38 | Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N. Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na) International Journal of Inorganic Materials, 2001, 3, 1015-1023 |
| 1514076 | CIF | Li0.95 Mn2.06 O4 | F d -3 m :2 | 8.2361; 8.2361; 8.2361 90; 90; 90 | 558.68 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514077 | CIF | Li0.2 Mn1.9 O4 | F d -3 m :2 | 8.096; 8.096; 8.096 90; 90; 90 | 530.7 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514078 | CIF | Li0.65 Mn2.08 O4 | F d -3 m :2 | 8.213; 8.213; 8.213 90; 90; 90 | 554 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514079 | CIF | Li0.87 Mn1.98 O4 | F d -3 m :2 | 8.258; 8.258; 8.258 90; 90; 90 | 563.2 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514080 | CIF | Li0.6 Mn2.04 O4 | F d -3 m :2 | 8.233; 8.233; 8.233 90; 90; 90 | 558.1 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514081 | CIF | Li0.1 Mn2.048 O4 | F d -3 m :2 | 8.151; 8.151; 8.151 90; 90; 90 | 541.5 | Monge, M. A.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514086 | CIF | Li2 O | F m -3 m | 4.61; 4.61; 4.61 90; 90; 90 | 97.972 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514093 | CIF | Li2 O | F m -3 m | 4.728; 4.728; 4.728 90; 90; 90 | 105.69 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514094 | CIF | Li2 O | F m -3 m | 4.764; 4.764; 4.764 90; 90; 90 | 108.1 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514095 | CIF | Li2 O | F m -3 m | 4.782; 4.782; 4.782 90; 90; 90 | 109.4 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514096 | CIF | Li2 O | F m -3 m | 4.807; 4.807; 4.807 90; 90; 90 | 111.1 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514097 | CIF | Li2 O | F m -3 m | 4.837; 4.837; 4.837 90; 90; 90 | 113.2 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2 O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514098 | CIF | Li2 O | F m -3 m | 4.689; 4.689; 4.689 90; 90; 90 | 103.1 | Farley, T. W. D.; Hayes, W.; Hull, S.; Hutchings, M. T.; Vrtis, M. Investigation of thermally induced Li+ ion disorder in Li2O using neutron diffraction. Journal of Physics: Condensed Matter, 1991, 3, 4761-4781 |
| 1514102 | CIF | Mn O2 | P b n m | 4.533; 9.27; 2.866 90; 90; 90 | 120.4 | Bystroem, A. M. The crystal structure of ramsdellite, an orthorhombic modification of Mn O2 Acta Chemica Scandinavica (1-27,1973-42,1988), 1949, 3, 163-173 |
| 1514113 | CIF | Mn2 O3 | I a -3 | 9.43; 9.43; 9.43 90; 90; 90 | 838.562 | Hase, W. Neutronographische Bestimmung der Kristallstrukturparameter von Dy2 O3, Tm2 O3 und alpha-Mn2 O3 Physica Status Solidi, 1963, 3, 446-449 |
| 1514227 | CIF | Mn O2 | P n m a | 9.27; 2.866; 4.533 90; 90; 90 | 120.4 | Bystroem, A. M. The crystal structure of ramsdellite, an orthorhombic modification of Mn O2 Acta Chemica Scandinavica (1-27,1973-42,1988), 1949, 3, 163-173 |
| 1514233 | CIF | Mn2.03 O4 | F d -3 m :2 | 8.0974; 8.0974; 8.0974 90; 90; 90 | 530.93 | Monge, M. A.; Angeles Monge, M.; Amarilla, J. M.; Gutierrez Puebla, E.; Campa, J. A.; Rasines, I. Atomic level study of Li Mn2 O4 as electrode in lithium batteries ChemPhysChem, 2002, 3, 367-370 |
| 1514934 | CIF | C28 H24 | P 32 | 29.9106; 29.9106; 5.9714 90; 90; 120 | 4626.55 | Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Deciphering mechanism of aggregation-induced emission (AIE): Is E–Z isomerisation involved in an AIE process? Chemical Science, 2012, 3, 493 |
| 1514935 | CIF | C13 H14 Fe N5 O | P -1 | 8.24; 9.982; 16.64 82.977; 83.088; 73.325 | 1296 | Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science, 2012, 3, 364 |
| 1514936 | CIF | C13 H14 Co N5 O | P 1 21/n 1 | 10.445; 11.723; 11.03 90; 100.177; 90 | 1329.3 | Patra, Ashis K.; Dube, Koustubh S.; Sanders, Brian C.; Papaefthymiou, Georgia C.; Conradie, Jeanet; Ghosh, Abhik; Harrop, Todd C. A thermally stable {FeNO}8 complex: properties and biological reactivity of reduced MNO systems Chemical Science, 2012, 3, 364 |
| 1514937 | CIF | C68 H63 Fe3 N9 | P -1 | 11.805; 12.98; 19.363 73.794; 86.132; 75.907 | 2763.3 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514938 | CIF | C68 H63 Fe3 N9 | P -1 | 11.839; 13.026; 19.436 73.818; 86.197; 75.893 | 2791.8 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514939 | CIF | C68 H63 Fe3 N9 | P -1 | 11.8394; 13.037; 19.508 73.852; 86.214; 75.811 | 2804 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514940 | CIF | C68 H63 Fe3 N9 | P -1 | 11.888; 13.106; 19.649 73.904; 86.251; 75.708 | 2850.3 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514941 | CIF | C68 H63 Fe3 N9 | P -1 | 11.881; 13.093; 19.706 73.971; 86.265; 75.654 | 2854.4 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514942 | CIF | C60 H74 Fe3 N6 O4.75 | C 1 2/c 1 | 21.1077; 15.5695; 33.842 90; 98.773; 90 | 10991.6 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514943 | CIF | C65 H69 Fe3 N6 P3 | P 1 21/c 1 | 12.403; 20.06; 22.036 90; 90; 90 | 5483 | Eames, Emily V.; Harris, T. David; Betley, Theodore A. Modulation of magnetic behavior via ligand-field effects in the trigonal clusters (PhL)Fe3L*3 (L* = thf, py, PMe2Ph) Chemical Science, 2012, 3, 407 |
| 1514944 | CIF | C26 H25 F3 N2 O4 | P 21 21 21 | 8.6711; 9.4306; 29.5986 90; 90; 90 | 2420.39 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
| 1514945 | CIF | C31 H30 F3 N O6 S | P 1 21/c 1 | 11.9727; 24.2406; 10.481 90; 107.399; 90 | 2902.67 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
| 1514946 | CIF | C27 H27 F3 N2 O4 | P 1 21 1 | 10.8509; 9.3445; 12.7734 90; 107.297; 90 | 1236.6 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
| 1514947 | CIF | C32 H29 N O4 S | P 21 21 21 | 9.3165; 14.3322; 19.705 90; 90; 90 | 2631.13 | Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D. Catalytic enantioselective electrocyclic cascades Chemical Science, 2012, 3, 537 |
| 1514948 | CIF | C44 H40 N4 Si | C 1 2/c 1 | 30.7917; 10.2374; 11.7082 90; 90.481; 90 | 3690.61 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
| 1514949 | CIF | C32 H26 O2 Si | P b c a | 21.7477; 13.4689; 35.5044 90; 90; 90 | 10399.9 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
| 1514950 | CIF | C54 H44 N2 Si | P 1 21/c 1 | 20.3587; 11.0369; 18.2729 90; 93.111; 90 | 4099.8 | Mei, Ju; Wang, Jian; Sun, Jing Zhi; Zhao, Hui; Yuan, Wangzhang; Deng, Chunmei; Chen, Shuming; Sung, Herman H. Y.; Lu, Ping; Qin, Anjun; Kwok, Hoi Sing; Ma, Yuguang; Williams, Ian D.; Tang, Ben Zhong Siloles symmetrically substituted on their 2,5-positions with electron-accepting and donating moieties: facile synthesis, aggregation-enhanced emission, solvatochromism, and device application Chemical Science, 2012, 3, 549 |
| 1514951 | CIF | C28 H42 F6 N O6 P | C 1 c 1 | 13.4798; 24.491; 11.104 90; 122.469; 90 | 3092.8 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
| 1514952 | CIF | C29 H44 F6 N O6 P | P 1 21/c 1 | 13.7552; 13.8563; 16.5085 90; 96.093; 90 | 3128.7 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
| 1514953 | CIF | C30 H46 F6 N O6 P | P 1 21/c 1 | 8.538; 33.09; 11.751 90; 97.9; 90 | 3288 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
| 1514954 | CIF | C30 H46 F6 N O7 P | P 1 21/c 1 | 8.702; 32.962; 11.4583 90; 93.616; 90 | 3280.1 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
| 1514955 | CIF | C29 H46 F6 N O6 P | P 1 21/c 1 | 15.9763; 13.6353; 15.3457 90; 104.633; 90 | 3234.5 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
| 1514956 | CIF | C30 H48 F6 N O7 P | P 1 21 1 | 8.3591; 33.576; 12.1989 90; 99.083; 90 | 3380.9 | Dasgupta, Suvankar; Wu, Jishan Formation of [2]rotaxanes by encircling [20], [21] and [22]crown ethers onto the dibenzylammonium dumbbell Chemical Science, 2012, 3, 425 |
| 1514957 | CIF | C33 H16 O S4 | P -1 | 11.03; 12.159; 12.875 112.013; 104.449; 96.026 | 1511.8 | Isla, Helena; Grimm, Bruno; Pérez, Emilio M.; Rosario Torres, M.; Ángeles Herranz, M.; Viruela, Rafael; Aragó, Juan; Ortí, Enrique; M. Guldi, Dirk; Martín, Nazario Bowl-shape electron donors with absorptions in the visible range of the solar spectrum and their supramolecular assemblies with C60 Chemical Science, 2012, 3, 498 |
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