Crystallography Open Database
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COD ID  |
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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 |
| 1514958 | CIF | C48 H46 Br2 N4 O2 | I 41/a c d :2 | 23.2637; 23.2637; 62.003 90; 90; 90 | 33556 | Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science, 2012, 3, 524 |
| 1514959 | CIF | C54 H52 N4 O2 | I -4 c 2 | 17.198; 17.198; 15.807 90; 90; 90 | 4675 | Nakamura, Shoichi; Hiroto, Satoru; Shinokubo, Hiroshi Synthesis and oxidation of cyclic tetraindole Chemical Science, 2012, 3, 524 |
| 1514960 | CIF | C26 H30 B2 F8 Fe N10 O2 | I 41/a :2 | 13.7494; 13.7494; 35.336 90; 90; 90 | 6680.1 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
| 1514961 | CIF | C26 H26 B2 F8 Fe N10 | P 42/n :2 | 9.7481; 9.7481; 17.6848 90; 90; 90 | 1680.51 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
| 1514962 | CIF | C26 H26 B2 F8 Fe N10 | P 42/n :2 | 9.8046; 9.8046; 17.8869 90; 90; 90 | 1719.47 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
| 1514963 | CIF | C14 H17 N5 O | P 21 21 21 | 10.064; 11.6546; 12.3944 90; 90; 90 | 1453.76 | Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A. An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis Chemical Science, 2012, 3, 349 |
| 1514964 | CIF | C13 H12 B F2 N3 | P -1 | 7.4169; 8.3781; 11.0339 70.296; 73.131; 71.441 | 598.943 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
| 1514965 | CIF | C13 H9 B F2 N4 | P 1 21/c 1 | 12.6822; 6.9729; 13.8314 90; 95.138; 90 | 1218.2 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
| 1514966 | CIF | C14 H12 B F2 N3 O | P 1 21/c 1 | 13.589; 11.4482; 8.7135 90; 105.519; 90 | 1306.1 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
| 1514967 | CIF | C15 H14 B F2 N3 O2 | P 1 21/c 1 | 14.589; 11.456; 8.6272 90; 90.271; 90 | 1441.9 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2–hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
| 1514968 | CIF | C17 H11 B F2 N4 | P -1 | 7.7978; 8.4159; 25.529 91.862; 95.446; 117.248 | 1477.3 | Yang, Yin; Su, Xin; Carroll, Calden N.; Aprahamian, Ivan Aggregation-induced emission in BF2‒hydrazone (BODIHY) complexes Chemical Science, 2012, 3, 610 |
| 1514969 | CIF | C56 H48 Ag2 F12 N12 O4 P2 | P 1 2/c 1 | 14.883; 11.843; 19.893 90; 118.38; 90 | 3085 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514970 | CIF | C56 H48 Ag2 B Cl F4 N12 O4 | P 6 2 2 | 22.2009; 22.2009; 12.58554 90; 90; 120 | 5372.09 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514971 | CIF | C90 H84 Ag3 B3 F12 N18 O6 | P 63 | 17.3366; 17.3366; 18.9739 90; 90; 120 | 4938.73 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514972 | CIF | C90 H84 Ag3 B3 F12 N18 O6 | P 63 | 17.3399; 17.3399; 18.6738 90; 90; 120 | 4862.47 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514973 | CIF | C90 H84 Ag3 N18 O6 | P 63 | 17.2761; 17.2761; 18.7097 90; 90; 120 | 4836.03 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514974 | CIF | C90 H84 Au3 B3 F12 N18 O6 | P 63 | 17.4164; 17.4164; 18.8187 90; 90; 120 | 4943.53 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514975 | CIF | C71 H93 Ag3 Cl4 F12 N18 O8 P2 | P 1 | 12.6553; 13.0092; 15.1663 104.239; 112.9; 99.765 | 2128.75 | Wei, Siping; Li, Xiyu; Yang, Zhuang; Lan, Jingbo; Gao, Ge; Xue, Ying; You, Jingsong Ligand-switching and counteranion-induced hierarchical self-assembly of silver-NHC complexes Chemical Science, 2012, 3, 359 |
| 1514976 | CIF | C16 H20 N2 O6 | P 21 21 21 | 7.95486; 10.00542; 20.80472 90; 90; 90 | 1655.88 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
| 1514977 | CIF | C18 H24 N2 O7 | P 21 21 21 | 5.5811; 12.5943; 26.723 90; 90; 90 | 1878.4 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
| 1514978 | CIF | C17 H22 N2 O6 | P 1 21 1 | 10.1928; 6.6518; 12.7044 90; 93.098; 90 | 860.11 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
| 1514979 | CIF | C18 H24 N2 O7 | P 1 21/c 1 | 12.8847; 5.6274; 25.767 90; 92.776; 90 | 1866.1 | Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A. Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction Chemical Science, 2012, 3, 584 |
| 1514980 | CIF | C31 H28 Fe O6 Pt S4 | P 1 21/n 1 | 14.6379; 11.5625; 18.7162 90; 96.152; 90 | 3149.5 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
| 1514981 | CIF | C47 H60 Co O9.75 Pt S4 | I 1 2/a 1 | 22.814; 16.6711; 23.2989 90; 92.135; 90 | 8855.2 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
| 1514982 | CIF | C28 H22 Co O5 Pt S4 | P 1 c 1 | 11.3784; 11.822; 22.0722 90; 90.429; 90 | 2969 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
| 1514983 | CIF | C32.35 H29.7 Ni O6.09 Pt S4 | I -4 c 2 | 19.0697; 19.0697; 22.6005 90; 90; 90 | 8218.7 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
| 1514984 | CIF | C35 H41 B O7 | P -1 | 8.0671; 12.5459; 15.4229 83.045; 83.617; 81.899 | 1526.94 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514985 | CIF | C28 H35 N O7 Si | P 1 21 1 | 11.4194; 10.9563; 12.2162 90; 104.877; 90 | 1477.19 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514986 | CIF | C28 H35 N O7 Si | P 21 21 21 | 10.6948; 14.0253; 18.4358 90; 90; 90 | 2765.33 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514987 | CIF | C28 H36 O6 Si2 | P -1 | 10.3358; 10.7754; 13.7612 103.096; 100.398; 91.195 | 1465.19 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514988 | CIF | C29 H37 N O8 Si | P 21 21 21 | 10.1179; 13.7992; 21.5342 90; 90; 90 | 3006.58 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514989 | CIF | C38 H47 B O8 Sn | P -1 | 10.8449; 13.7385; 14.5994 78.148; 75.225; 70.556 | 1965.93 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514990 | CIF | C35 H39 B O8 | P 1 21/c 1 | 10.2127; 10.942; 28.6657 90; 98.392; 90 | 3169.02 | Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V. On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans Chemical Science, 2012, 3, 1221 |
| 1514991 | CIF | C37 H57 Ni P3 Si | P b c a | 16.1008; 16.9634; 25.931 90; 90; 90 | 7082.4 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514992 | CIF | C77.75 H75.75 B F24 N2 Ni P3 Si | C 1 2/c 1 | 47.534; 13.9003; 30.423 90; 128.63; 90 | 15703 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514993 | CIF | C70 H69 B F24 N Ni P3 Si | P 1 21/c 1 | 12.8286; 14.9103; 38.095 90; 96.779; 90 | 7235.8 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514994 | CIF | C69 H66 B Cl F24 Ni O P3 Si | P b c a | 26.3375; 19.5435; 27.2078 90; 90; 90 | 14004.6 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514995 | CIF | C36 H55 Cl Ni P3 Si | P -1 | 10.9905; 11.1304; 16.8144 78.237; 79.052; 61.648 | 1761.8 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514996 | CIF | C86 H54 B F24 N2 Ni P3 Si | P -1 | 13.2952; 15.4595; 20.2687 74.996; 84.981; 83.775 | 3992.6 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514997 | CIF | C87 H54 B F24 Ni O P3 Si | P -1 | 13.2892; 15.457; 20.2883 74.851; 85.107; 83.842 | 3992.3 | Tsay, Charlene; Peters, Jonas C. Thermally stable N2 and H2 adducts of cationic nickel(ii) Chemical Science, 2012, 3, 1313 |
| 1514998 | CIF | C37 H32 Cl2 N2 | C 1 2/c 1 | 28.982; 11.074; 9.7067 90; 101.66; 90 | 3051 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1514999 | CIF | C41 H35 Cl2 N2 | C 1 2/c 1 | 32.92; 11.005; 9.624 90; 106.563; 90 | 3342 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1515000 | CIF | C20 H14 N2 | P 1 21/n 1 | 10.7874; 6.1038; 11.5494 90; 104.177; 90 | 737.3 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1515001 | CIF | C32 H32 N4 O6 | P -1 | 6.2483; 7.152; 16.741 101.417; 91.557; 92.041 | 732.4 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1515002 | CIF | C24 H18 N2 | P 1 21/n 1 | 12.5981; 6.0734; 13.4724 90; 117.737; 90 | 912.37 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1515003 | CIF | C29 H23 Cl2 N2 | C 1 2/c 1 | 22.398; 11.1946; 9.7652 90; 95.645; 90 | 2436.6 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1515004 | CIF | C33 H28 Cl2 N2 | C 1 2/c 1 | 25.388; 11.126; 9.788 90; 94.187; 90 | 2757 | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes Chemical Science, 2012, 3, 1007 |
| 1515005 | CIF | C44 H42 Cl3 N7 O7 | P 1 21/c 1 | 9.5229; 39.529; 11.6647 90; 98.282; 90 | 4345.2 | Engle, Jeffrey M.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M. Synthesis and optoelectronic properties of 2,6-bis(2-anilinoethynyl)pyridine scaffolds Chemical Science, 2012, 3, 1105 |
| 1515006 | CIF | C72 H102 Nb2 O6 P4 | P 1 21/c 1 | 18.9443; 21.565; 17.9908 90; 99.909; 90 | 7240.2 | Velian, Alexandra; Cummins, Christopher C. Synthesis of a diniobium tetraphosphorus complex by a 2(3−1) process Chemical Science, 2012, 3, 1003 |
| 1515007 | CIF | C46 H78 Co3 I4 N4 O5 | P 1 21/c 1 | 11.79263; 21.62584; 22.16086 90; 102.592; 90 | 5515.64 | Kember, Michael R.; Jutz, Fabian; Buchard, Antoine; White, Andrew J. P.; Williams, Charlotte K. Di-cobalt(ii) catalysts for the copolymerisation of CO2 and cyclohexene oxide: support for a dinuclear mechanism? Chemical Science, 2012, 3, 1245 |
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