Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
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|---|---|---|---|---|---|---|
| 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 |
| 1515008 | CIF | C46 H78 Br4 Co3 N4 O5 | P 1 21/c 1 | 11.69346; 20.8757; 22.0206 90; 102.034; 90 | 5257.3 | 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 |
| 1515009 | CIF | C75.5 H123 Cl20 Co4 K N8 O4 | P n m a | 23.2374; 30.6555; 14.1318 90; 90; 90 | 10066.8 | 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 |
| 1515010 | CIF | C76 H124 Cl21 Co4 K N8 O4 | P 1 21/c 1 | 11.78965; 31.1301; 27.4398 90; 96.1289; 90 | 10013.2 | 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 |
| 1515011 | CIF | C42 H74 Cl7 Co2 N5 O2 | P 1 21/n 1 | 14.4425; 21.581; 16.8129 90; 105.087; 90 | 5059.69 | 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 |
| 1515012 | CIF | C50 H86 Cl3 Co2 N6 O3 | P -1 | 12.4636; 15.6121; 15.8197 69.978; 71.369; 85.244 | 2739.42 | 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 |
| 1515013 | CIF | C42 H70 Cl3 Co2 N7 O2 | P 1 21/n 1 | 15.09; 20.2875; 15.702 90; 104.082; 90 | 4662.54 | 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 |
| 1515014 | CIF | C46 H76 Cl2 Co2 N6 O4 | P -1 | 11.3806; 13.8405; 15.7508 96.278; 96.347; 91.87 | 2448.45 | 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 |
| 1515015 | CIF | C45.5 H73 Cl11 Co2 N6 O2 | C 1 2/c 1 | 35.3728; 20.4934; 19.9836 90; 124.046; 90 | 12003.2 | 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 |
| 1515016 | CIF | C24 H28 Cl8 I4 N8 O8 | P 42/n m c :2 | 18.1726; 18.1726; 7.0372 90; 90; 90 | 2323.99 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
| 1515017 | CIF | C23 H29 Cl3 I4 N8 O8 | C 1 2/c 1 | 26.3584; 7.034; 21.0654 90; 109.216; 90 | 3688.03 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
| 1515018 | CIF | C26 H36 Cl8 I4 N8 O8 | P 43 21 2 | 17.2587; 17.2587; 15.5855 90; 90; 90 | 4642.34 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
| 1515019 | CIF | C26 H40 I4 N12 O16 | I -4 c 2 | 16.8566; 16.8566; 14.5819 90; 90; 90 | 4143.37 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
| 1515020 | CIF | C29 H36 I4 N8 O8 | C 1 2/c 1 | 26.0769; 7.0625; 20.9842 90; 108.622; 90 | 3662.29 | Raatikainen, Kari; Rissanen, Kari Breathing molecular crystals: halogen- and hydrogen-bonded porous molecular crystals with solvent induced adaptation of the nanosized channels Chemical Science, 2012, 3, 1235 |
| 1515022 | CIF | C90 H77 N12 O7 U3 | P 1 21/n 1 | 16.7294; 16.6323; 29.5917 90; 90.954; 90 | 8232.7 | Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075 |
| 1515023 | CIF | C29 H23 Cl3 N4 O2 U | P -1 | 7.2599; 12.1368; 16.1046 99.775; 90.893; 95.133 | 1392.11 | Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075 |
| 1515024 | CIF | C57.5 H44.25 N8.75 O5 U2 | C 1 2/c 1 | 27.1234; 27.366; 28.2322 90; 90.531; 90 | 20954.7 | Chatelain, Lucile; Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella Magnetic communication and reactivity of a stable homometallic cation‒cation trimer of pentavalent uranyl Chemical Science, 2012, 3, 1075 |
| 1515025 | CIF | C52 H66 Cl2 Hg N O Sb | P 1 21/n 1 | 11.172; 34.082; 12.621 90; 99.244; 90 | 4743 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
| 1515026 | CIF | C57 H60 F6 Hg N6 O P Sb | C 1 c 1 | 18.171; 28.753; 13.422 90; 130.397; 90 | 5341 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
| 1515027 | CIF | C68 H52 F2 Hg2 O Sb2 | P -1 | 12.689; 13.651; 16.06 97.184; 95.058; 102.804 | 2672 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
| 1515028 | CIF | C38 H34 F6 Hg O1.5 P Sb | P 1 21/c 1 | 13.2206; 21.054; 13.5998 90; 118.154; 90 | 3337.6 | Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P. Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex Chemical Science, 2012, 3, 1128 |
| 1515029 | CIF | C18 H29 I N4 O Pd S2 | P -1 | 11.0114; 14.456; 15.04 86.364; 88.837; 84.021 | 2376 | Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science, 2012, 3, 1211 |
| 1515030 | CIF | C28 H33 N5 Pd S3 | P -1 | 9.4934; 12.8359; 12.9362 85.96; 70.27; 84.36 | 1475.5 | Liu, Jing; Deng, Yi; Lin, Caitao; Lei, Aiwen “Push effect” of sulfur coordination: promoting the breaking of C(sp2)‒I bond by pincer thioimido-Pd(ii) complexes Chemical Science, 2012, 3, 1211 |
| 1515031 | CIF | C88 H178 Cu5 Ga30 N23 S54 | P -1 | 22.414; 23.022; 23.782 95.8178; 116.725; 114.544 | 9322 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
| 1515032 | CIF | C97.5 H192 Cl Cu5 Ga30 N24 S53.5 | P -1 | 22.168; 22.846; 24.663 115.174; 111.389; 96.407 | 9985 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
| 1515033 | CIF | C108 H210 Cl2 Cu5 In30 N25 S54 | C 1 2/c 1 | 23.617; 40.808; 46.252 90; 94.748; 90 | 44423 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
| 1515034 | CIF | C90 H186 Cu5 Ga30 N23 S56 | P 63/m | 23.018; 23.018; 42.321 90; 90; 120 | 19419 | Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying Largest discrete supertetrahedral clusters synthesized in ionic liquids Chemical Science, 2012, 3, 1200 |
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