Crystallography Open Database
Search results
Result: there are 4028 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 3
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 1515035 | CIF | C42 H46 Fe N2 O9 | P 1 21/c 1 | 13.831; 16.175; 18.572 90; 111.6; 90 | 3863 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
| 1515036 | CIF | C74 H84 Cl Fe N5 O17 | P -1 | 11.106; 17.783; 19.841 95.61; 100.94; 106.08 | 3649.6 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
| 1515037 | CIF | C152 H172 Cl14 Fe2 N10 O34 | P -1 | 15.7014; 18.6485; 28.3126 98.202; 99.703; 102.308 | 7845.3 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
| 1515038 | CIF | C76 H92 Cl Fe N5 O17 S2 | P 1 21/c 1 | 14.26; 39.5; 14.26 90; 95.55; 90 | 7994.6 | Evans, Nicholas H.; Rahman, Habibur; Leontiev, Alexandre V.; Greenham, Neil D.; Orlowski, Grzegorz A.; Zeng, Qiang; Jacobs, Robert M. J.; Serpell, Christopher J.; Kilah, Nathan L.; Davis, Jason J.; Beer, Paul D. Solution and surface-confined chloride anion templated redox-active ferrocene catenanes Chemical Science, 2012, 3, 1080 |
| 1515039 | CIF | C93 H117 F6 N7 O8 Pt2 S2 | P -1 | 19.5557; 20.1957; 30.683 99.204; 101.673; 95.081 | 11622.6 | Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI) Chemical Science, 2012, 3, 1185 |
| 1515040 | CIF | C69 H93 Cu2 Dy6 N11 O54 | P 1 21 1 | 11.2309; 23.8183; 20.3932 90; 102.308; 90 | 5329.8 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
| 1515041 | CIF | C69 H93 Cu2 Gd6 N11 O54 | P 1 21 1 | 11.3478; 24.0164; 20.6607 90; 102.06; 90 | 5506.5 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
| 1515042 | CIF | C69 H93 Cu2 Dy6 N11 O54 | P 1 21 1 | 11.259; 24.017; 20.506 90; 101.793; 90 | 5428 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
| 1515043 | CIF | C69 H93 Cu2 N11 O54 Y6 | P 1 21 1 | 11.36; 24; 20.66 90; 101.988; 90 | 5509.9 | Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K. Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets Chemical Science, 2012, 3, 1169 |
| 1515044 | CIF | C29 H26 Cl N3 O5 | P 21 21 21 | 9.5107; 10.1897; 27.7823 90; 90; 90 | 2692.4 | Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science, 2012, 3, 1231 |
| 1515045 | CIF | C21 H21 Br N2 O4 | C 1 2 1 | 21.316; 6.3205; 17.4926 90; 112.859; 90 | 2171.6 | Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles Chemical Science, 2012, 3, 1231 |
| 1515046 | CIF | C50 H28 Cr Dy2 F38 N5 O16 | C 1 2/c 1 | 26.3208; 15.7874; 18.718 90; 115.474; 90 | 7021.8 | Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science, 2012, 3, 1024 |
| 1515047 | CIF | C40 H24 Cr Dy F26 N4 O8 | P -1 | 12.515; 19.836; 21.392 85.52; 81.35; 86.229 | 5226 | Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster Chemical Science, 2012, 3, 1024 |
| 1515048 | CIF | C348 H354 Cl6 Co24 N6 O72 S24 | I a -3 | 48.8463; 48.8463; 48.8463 90; 90; 90 | 116545 | Xiong, Kecai; Jiang, Feilong; Gai, Yanli; Yuan, Daqiang; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Hong, Maochun Truncated octahedral coordination cage incorporating six tetranuclear-metal building blocks and twelve linear edges Chemical Science, 2012, 3, 2321 |
| 1515049 | CIF | C74 H106 N4 O3 Y2 | P -1 | 12.5958; 15.8; 20.902 76.137; 76.659; 83.229 | 3921 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515050 | CIF | C81 H114 Lu2 N4 O3 | P -1 | 13.2117; 14.827; 23.057 81.78; 73.628; 66.103 | 3959.9 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515051 | CIF | C81 H123 N4 O4.5 Si Y2 | P 1 21/n 1 | 13.0663; 38.724; 15.781 90; 93.796; 90 | 7967 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515052 | CIF | C83 H115 N5 O3 Y2 | P 1 21/c 1 | 11.898; 23.121; 35.564 90; 90.028; 90 | 9783 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515053 | CIF | C88 H116 Lu2 N4 O3 | P -1 | 13.437; 14.939; 22.326 107.399; 102.549; 100.158 | 4031.9 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515054 | CIF | C84 H108 Lu2 N4 O2 | P -1 | 12.53; 16.733; 22.194 107.824; 103.291; 91.97 | 4284 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515055 | CIF | C80 H100 Lu2 N4 O | P -1 | 15.161; 17.449; 18.27 76.958; 76.864; 70.969 | 4388.8 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515056 | CIF | C86 H108 N4 O2 Y2 | P -1 | 13.731; 15.277; 22.821 97.855; 98.334; 99.894 | 4601.6 | Cheng, Jianhua; Wang, Haiyu; Nishiura, Masayoshi; Hou, Zhaomin Binuclear rare-earth polyhydride complexes bearing both terminal and bridging hydride ligands Chemical Science, 2012, 3, 2230 |
| 1515057 | CIF | C159 H0 Co5 O25 | P 1 21 1 | 19.3772; 34.3744; 20.7308 90; 115.432; 90 | 12470.3 | Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science, 2012, 3, 2288 |
| 1515058 | CIF | C159 H O24 Zn4 | P 1 21 1 | 20.6536; 33.4974; 20.7926 90; 118.619; 90 | 12627.7 | Wen, Liang; Cheng, Peng; Lin, Wenbin Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities Chemical Science, 2012, 3, 2288 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!