Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1516797 | CIF | C10 H2 Cl2 N2 O4 | P 1 21/c 1 | 7.1051; 5.4752; 12.252 90; 90.693; 90 | 476.59 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516812 | CIF | C18 H16 N2 O3 | F d d 2 | 27.454; 32.678; 6.833 90; 90; 90 | 6130 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516813 | CIF | C13 H14 N2 O3 | P 1 21 1 | 6.2771; 11.7706; 8.7028 90; 97.826; 90 | 637.02 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516814 | CIF | C18 H16 N2 O3 | P c a 21 | 28.94; 5.9109; 9.179 90; 90; 90 | 1570.2 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516815 | CIF | C19 H18 N2 O3 | P 1 21/c 1 | 5.504; 26.45; 11.354 90; 94.55; 90 | 1647.7 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516829 | CIF | C35 H38 Cl3 N O7 | P -1 | 10.4484; 12.9132; 14.4521 105.509; 110.788; 101.371 | 1661.72 | Noor, Asif; Moratti, Stephen C.; Crowley, James D. Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers Chem. Sci., 2014, 5, 4283 |
| 1516830 | CIF | C72 H82 Ag2 F6 N2 O22 S2 | P -1 | 11.0298; 12.4731; 15.6946 87.5; 72.011; 67.114 | 1884.8 | Noor, Asif; Moratti, Stephen C.; Crowley, James D. Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers Chem. Sci., 2014, 5, 4283 |
| 1516831 | CIF | C44 H32 B2 Cl2 F8 Fe N6 | P 1 21/c 1 | 17.892; 14.886; 15.952 90; 110.371; 90 | 3983 | Noor, Asif; Moratti, Stephen C.; Crowley, James D. Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers Chem. Sci., 2014, 5, 4283 |
| 1516885 | CIF | C29 H49 O Si2 U | P 1 21/n 1 | 10.84; 14.869; 19.149 90; 91.19; 90 | 3085.8 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516886 | CIF | C30 H51 O Si2 U | P 1 21/n 1 | 11.789; 18.961; 14.176 90; 96.89; 90 | 3145.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516887 | CIF | C31 H53 O Si2 U | P 1 21/n 1 | 12.092; 19.621; 13.755 90; 96.3; 90 | 3243.8 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516888 | CIF | C48 H76.5 O Si4 U2 | P 1 21/n 1 | 22.913; 13.686; 38.185 90; 107.06; 90 | 11447 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516889 | CIF | C50 H78 O4 Si4 U2 | P b c a | 10.48; 21.616; 23.669 90; 90; 90 | 5361.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516890 | CIF | C54 H86 O4 Si4 U2 | C m c a | 21.741; 23.447; 10.829 90; 90; 90 | 5520.2 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516891 | CIF | C27 H43 O2 Si2 U | P 1 21/n 1 | 12.917; 13.555; 16.582 90; 100.86; 90 | 2851.3 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516892 | CIF | C53 H86 O3 Si4 U2 | P n m a | 23.33; 21.46; 10.71 90; 90; 90 | 5362.1 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516893 | CIF | C58 H86 O3 Si4 U2 | P c a 21 | 43.8503; 10.3313; 24.2758 90; 90; 90 | 10997.7 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516894 | CIF | C55 H90 O3 Si4 U2 | P 1 21/c 1 | 11.737; 18.983; 25.761 90; 95.43; 90 | 5713.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516974 | CIF | C98 H68 N2 O26 Zn8 | P n m a | 24.8949; 42.564; 32.7857 90; 90; 90 | 34741 | Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J. Coordination copolymerization of three carboxylate linkers into a pillared layer framework Chemical Science, 2014, 5, 3729 |
| 1516975 | CIF | C43 H30 N O13 Zn4 | P 1 21/c 1 | 17.1259; 32.5986; 25.1806 90; 99.471; 90 | 13866.2 | Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J. Coordination copolymerization of three carboxylate linkers into a pillared layer framework Chemical Science, 2014, 5, 3729 |
| 1516976 | CIF | C21 H13 F3 N3 O6 Re S | P 1 21/n 1 | 13.1254; 13.0009; 13.7872 90; 109.269; 90 | 2220.88 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516977 | CIF | C41 H33 Au F6 N3 O4 P2 Re | P -1 | 9.4683; 16.4296; 26.0868 92.497; 92.66; 91.206 | 4048.77 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516978 | CIF | C38 H28 Au F3 N4 O6 P Re S | P -1 | 8.9054; 9.077; 22.963 84.156; 88.572; 88.527 | 1845.48 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516979 | CIF | C37 H31 Au F3 N4 O6.5 P Re S | P -1 | 13.0494; 13.4519; 22.5256 95.947; 99.847; 102.157 | 3768.28 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516980 | CIF | C14 H14 N4 O4 | P -1 | 7.16538; 8.2062; 11.6136 85.818; 88.406; 82.354 | 674.9 | Appel, Wilco P. J.; Nieuwenhuizen, Marko M. L.; Lutz, Martin; de Waal, Bas F. M.; Palmans, Anja R. A.; Meijer, E. W. Supramolecular chemistry with ureido-benzoic acids Chemical Science, 2014, 5, 3735 |
| 1517024 | CIF | C37 H48 N Ni O P2 | P 1 21/c 1 | 12.292; 9.621; 28.336 90; 92.9; 90 | 3346.8 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517025 | CIF | C4 H9 Cd N6 O9 | P 1 21/c 1 | 10.6999; 9.4421; 11.2283 90; 108.935; 90 | 1073 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517026 | CIF | C34 H49 N Ni O P2 | P 1 21/c 1 | 12.4045; 9.652; 27.5625 90; 92.722; 90 | 3296.29 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517027 | CIF | C31 H51 N Ni O P2 | P 1 21/c 1 | 19.2355; 11.6533; 14.8149 90; 110.899; 90 | 3102.4 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517028 | CIF | C28 H45 N Ni P2 | P -1 | 10.5204; 11.0371; 12.559 79.346; 84.731; 71.343 | 1357 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517029 | CIF | C30 H47 N Ni O P2 | C 1 c 1 | 16.6022; 12.4707; 16.0966 90; 113.6; 90 | 3053.92 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517030 | CIF | C29 H47 N Ni P2 | P 1 21/c 1 | 15.7352; 9.8832; 18.2622 90; 94.249; 90 | 2832.22 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517031 | CIF | C30 H47 N Ni O P2 | P 1 21/c 1 | 15.5099; 9.9868; 18.6693 90; 95.552; 90 | 2878.2 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517032 | CIF | C31 H49 N Ni O P2 | P 1 21/c 1 | 12.11; 13.584; 19.335 90; 106.49; 90 | 3049.8 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517099 | CIF | C40 H50 S Si2 | C 1 2/c 1 | 18.8584; 12.3701; 15.9959 90; 104.724; 90 | 3609 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517100 | CIF | C42 H50 S2 Si2 | P -1 | 7.402; 14.535; 18.955 73.693; 83.913; 77.68 | 1910 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517101 | CIF | C38 H30 S2 | P -1 | 7.0732; 7.9974; 12.843 83.771; 88.008; 79.973 | 711.1 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517102 | CIF | C40 H34 S2 | C 1 2/c 1 | 24.056; 16.0276; 18.3518 90; 122.105; 90 | 5993.7 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517103 | CIF | C44 H50 S3 Si2 | P -1 | 7.51; 14.0747; 20.3192 73.205; 81.761; 82.646 | 2026.41 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517165 | CIF | C38 H53 Cl9 N2 O11 | P 21 21 21 | 12.936; 17.448; 21.111 90; 90; 90 | 4764.9 | Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4333-4338 |
| 1517166 | CIF | C13 H16 Fe N4 O3 | P 43 21 2 | 7.9922; 7.9922; 23.1283 90; 90; 90 | 1477.33 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517167 | CIF | C15 H36 B2 Fe N2 O3 Si4 | P 1 21/n 1 | 8.8462; 17.0403; 35.7439 90; 90.227; 90 | 5388.1 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517168 | CIF | C5 Cl3 Fe Ga O5 | C 1 c 1 | 9.0504; 10.731; 11.634 90; 92.431; 90 | 1128.9 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517169 | CIF | C7 H9 Cl3 Fe Ga O4 P | P n a 21 | 12.3102; 8.7578; 13.2384 90; 90; 90 | 1427.24 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517170 | CIF | C9 H9 Cl3 Fe Ga N O4 | P 1 21/n 1 | 7.2763; 22.2271; 9.6226 90; 90.532; 90 | 1556.21 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517171 | CIF | C9 H18 Cl3 Fe Ga O3 P2 | P 1 21/c 1 | 17.867; 13.5823; 15.9356 90; 109.018; 90 | 3656.1 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517172 | CIF | C14 H18 Cl5 Fe Ga N4 O3 | P 1 21/c 1 | 8.6242; 14.4623; 17.4482 90; 98.852; 90 | 2150.3 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517173 | CIF | C13 H18 Cl3 Fe Ga N2 O3 | P n m a | 11.826; 18.0027; 9.6374 90; 90; 90 | 2051.8 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517174 | CIF | C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 | P n a 21 | 28.6201; 15.3682; 7.0307 90; 90; 90 | 3092.4 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517175 | CIF | C9 H18 Br3 Fe Ga O3 P2 | P b c a | 17.8212; 16.529; 26.155 90; 90; 90 | 7704.4 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517188 | CIF | C314 H589 N96 Ni32 O224 S11 | P -1 | 20.5225; 39.0486; 39.0923 119.844; 91.894; 102.976 | 26087.7 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517189 | CIF | C37 H35 Cl2 N12 Ni O10 | P 1 21/c 1 | 11.376; 20.675; 17.957 90; 99.139; 90 | 4170 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517190 | CIF | C145 H234 N48 Ni16 O96 S8 | C 1 c 1 | 44.0087; 20.5888; 26.8381 90; 119.998; 90 | 21060.1 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517191 | CIF | C161 H363 N48 Ni16 O146 S8 | P 1 21/n 1 | 20.5591; 35.0164; 39.44 90; 91.301; 90 | 28385.8 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517192 | CIF | C158 H190 N48 Ni16 O60 S7 | P 41 21 2 | 31.2; 31.2; 25.3435 90; 90; 90 | 24670.4 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517194 | CIF | C17 H17 N O | P 21 21 21 | 8.2349; 12.5658; 12.99 90; 90; 90 | 1344.18 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517195 | CIF | C16 H12 Br N O | P 1 | 6.3154; 8.1371; 14.3362 85.222; 78.52; 70.043 | 678.53 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517206 | CIF | C12 H11 Cl O2 | P 1 21/c 1 | 19.3677; 4.6908; 11.3487 90; 95.521; 90 | 1026.25 | Liu, Kun; Hovey, M. Todd; Scheidt, Karl A. A Cooperative N-Heterocyclic Carbene/Palladium Catalysis System. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4026-4031 |
| 1517207 | CIF | C80 H87 Co4 N17 O20 | P -1 | 10.871; 20.7504; 21.3627 64.984; 86.763; 79.326 | 4290 | Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J. Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation Chemical Science, 2014, 5, 4017 |
| 1517208 | CIF | C80 H97 Co4 N17 O29 | P -1 | 10.1905; 21.156; 22.015 115.123; 92.484; 99.306 | 4207.2 | Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J. Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation Chemical Science, 2014, 5, 4017 |
| 1517209 | CIF | C48 H54 F6 N4 O4 Zn2 | P 21 21 21 | 12.1107; 19.736; 20.335 90; 90; 90 | 4860.4 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517210 | CIF | C56 H66 F6 N4 O6 Zn2 | P 1 | 10.3348; 10.8803; 13.2532 113.176; 96.805; 91.083 | 1356.84 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517211 | CIF | C46 H50 F6 N4 O4 Zn2 | P 1 21 1 | 11.8212; 10.6057; 18.6077 90; 97.779; 90 | 2311.4 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517212 | CIF | C58 H60 F6 N4 O4 Zn2 | P 21 21 21 | 13.5462; 19.2935; 20.7468 90; 90; 90 | 5422.3 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517220 | CIF | C6 H12 Mn0.5 N O14 P3 Zn3 | P -1 | 9.4416; 9.5014; 9.8153 107.922; 91.314; 92.35 | 836.5 | Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material Chem. Sci., 2014, 5, 4237 |
| 1517239 | CIF | C40 H30 O6 | P 1 21/n 1 | 12.8251; 17.633; 13.342 90; 93.491; 90 | 3011.6 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517240 | CIF | C40 H42 O6 | P 1 21/c 1 | 6.6014; 17.3786; 13.6759 90; 97.042; 90 | 1557.11 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517241 | CIF | C40 H20 F10 O6 | P -1 | 6.816; 7.448; 16.417 79.881; 81.961; 75.475 | 790.2 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517242 | CIF | C40 H20 F10 O6 | P -1 | 6.9613; 7.1312; 17.3912 91.674; 90.029; 106.619 | 826.89 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517243 | CIF | C38 H16 F10 O4 | P 1 21/n 1 | 6.887; 31.518; 7.1384 90; 107.654; 90 | 1476.5 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517244 | CIF | C38 H16 F10 O6 | P -1 | 8.2523; 12.5862; 15.285 73.904; 86.299; 83.541 | 1514.7 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517255 | CIF | C29 H39 Cl5 N7 O3 P Ru | P 1 21/n 1 | 10.4643; 12.9834; 27.5941 90; 100.005; 90 | 3692 | Burgess, Samantha A.; Joslin, Evan E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H. Hydrophenylation of ethylene using a cationic Ru(ii) catalyst: comparison to a neutral Ru(ii) catalyst Chem. Sci., 2014, 5, 4355 |
| 1517285 | CIF | C19 H18 O4 S | P 21 21 21 | 5.5066; 14.1867; 20.951 90; 90; 90 | 1636.7 | Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M. Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration Chem. Sci., 2014, 5, 4763 |
| 1517286 | CIF | C19 H26 O5 S2 | P -1 | 8.5289; 10.9789; 11.4493 87.759; 72.017; 78.159 | 997.68 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517287 | CIF | C18 H18 Cl4 S2 | P 1 21/c 1 | 16.8843; 7.6695; 16.974 90; 115.956; 90 | 1976.3 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517288 | CIF | C25 H29 Cu2 F6 N4 O7 S3 | P -1 | 9.8541; 11.4575; 15.9521 93.504; 98.701; 114.179 | 1608.9 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517289 | CIF | C25 H28 Cu2 F6 N4 O7 S3 | P -1 | 9.6497; 10.7181; 16.889 73.733; 86.706; 69.619 | 1570.31 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517290 | CIF | C43 H26 N7 O15 S4 Zn2 | P 1 21/c 1 | 8.38; 20.9662; 13.0999 90; 95.038; 90 | 2292.72 | Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M. Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation Chem. Sci., 2014, 5, 4724 |
| 1517296 | CIF | C28 H30 N4 O6 Zn | P b a 2 | 11.2987; 14.6667; 8.2144 90; 90; 90 | 1361.25 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517297 | CIF | C50 H54 N8 O11 Zn2 | F d d 2 | 22.694; 29.694; 33.408 90; 90; 90 | 22513 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517298 | CIF | C24 H22 N4 O4 Zn | I 41/a c d :2 | 15.2355; 15.2355; 39.1054 90; 90; 90 | 9077.2 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517350 | CIF | C12 H18 N2 O6 | P 21 21 21 | 7.8669; 10.4681; 17.696 90; 90; 90 | 1457.3 | Jia, Xiangxiang; Li, Yan; Xiao, Longqiang; Liu, Lijian Synthesis and characterization of fluorescent oligo(3,4,5-triethoxycarbonyl-2-pyrazoline) Polymer Chemistry, 2014, 5, 4781 |
| 1517355 | CIF | C26 H16 S2 | P 1 21/c 1 | 18.239; 3.8855; 25.404 90; 91.023; 90 | 1800 | Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J. Conjugated oligomers incorporating azulene building blocks – seven- vs. five-membered ring connectivity Chem. Sci., 2014, 5, 4483 |
| 1517356 | CIF | C26 H16 S2 | P 1 21/n 1 | 10.961; 23.617; 14.6288 90; 97.762; 90 | 3752.2 | Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J. Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity Chem. Sci., 2014, 5, 4483 |
| 1517357 | CIF | C18 H17 Br O3 | P 1 21 1 | 8.4484; 6.0156; 16.494 90; 104.755; 90 | 810.6 | Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J. Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4504-4511 |
| 1517358 | CIF | C35 H52 Au F6 N P2 | P n a 21 | 22.231; 12.5844; 12.8929 90; 90; 90 | 3607 | Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W. Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement Chem. Sci., 2014, 5, 4975 |
| 1517359 | CIF | C20 H35 Cl P2 Pd | P n a 21 | 23.6604; 9.3856; 10.4813 90; 90; 90 | 2327.55 | Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex Polym. Chem., 2014, 5, 6435 |
| 1517360 | CIF | C88.72 H66 B Cl1.44 F24 Mn N2 O P4 | P -1 | 10.1892; 19.1512; 22.8693 73.339; 83.858; 89.798 | 4249 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517361 | CIF | C68 H49 Br F24 Mn N O P4 | P -1 | 13.0764; 16.0035; 17.7414 102.567; 93.99; 113.051 | 3284.5 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517362 | CIF | C61 H42 F24 Mn N O P4 | P 1 21/n 1 | 13.4167; 33.2709; 14.2193 90; 106.658; 90 | 6080.9 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517363 | CIF | C43 H37 F5 Mn N O6 P2 S | P m n 21 | 22.5699; 8.5815; 10.3862 90; 90; 90 | 2011.6 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517364 | CIF | C103 H57 B F46 Mn N O P4 | P 1 | 13.826; 14.0301; 14.8023 108.714; 109.969; 96.491 | 2474.82 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517365 | CIF | C92 H46 B Br F44 Mn N O2 P4 | P 1 21/n 1 | 20.4905; 14.9413; 30.717 90; 107.769; 90 | 8955.5 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517366 | CIF | C100 H55.5 B Br2.5 F44 Mn N O P4 | P -1 | 14.3935; 15.8738; 23.3799 73.676; 72.993; 82.991 | 4897.7 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517367 | CIF | C46 H58 Cl6 N2 | P 1 21/c 1 | 13.6043; 29.34; 11.7173 90; 101.006; 90 | 4590.9 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517368 | CIF | C42 H48 N2 | C 1 2/c 1 | 18.183; 17.083; 10.329 90; 97.513; 90 | 3180.9 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517369 | CIF | C66 H76 N2 | C 1 2/c 1 | 25.799; 18.171; 11.441 90; 103.053; 90 | 5225 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517370 | CIF | C127 H108 Cl6 N2 O4 P4 Pd3 S4 | P -1 | 17.4188; 17.5604; 22.7255 87.6505; 71.9113; 60.5328 | 5700.3 | Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands Chem. Sci., 2014, 5, 4888 |
| 1517371 | CIF | C64 H51 Cl4 N O2 P2 Pd S2 | P -1 | 13.8975; 16.8234; 17.2132 99.9912; 112.238; 111.275 | 3238.06 | Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands Chem. Sci., 2014, 5, 4888 |
| 1517422 | CIF | C19 H27 N7 | C 1 2/c 1 | 16.6894; 13.1912; 17.1396 90; 107.752; 90 | 3593.67 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
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