Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515085 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.7899; 5.9402; 10.9075 90; 92.67; 90 | 504.18 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515086 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.7378; 5.9245; 10.9232 90; 92.821; 90 | 500.14 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515087 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.6885; 5.9097; 10.9351 90; 92.984; 90 | 496.18 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515088 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.8926; 5.9767; 10.8739 90; 92.47; 90 | 512.46 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515089 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.433; 5.8092; 10.9101 90; 93.736; 90 | 470.09 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515090 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.2027; 5.6926; 10.9057 90; 94.504; 90 | 445.78 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515091 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 7.0544; 5.6024; 10.8873 90; 95.062; 90 | 428.61 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515092 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.992; 5.559; 10.875 90; 95.344; 90 | 420.86 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515093 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.9259; 5.5072; 10.8549 90; 95.667; 90 | 412.01 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515094 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.871; 5.467; 10.8393 90; 95.878; 90 | 405.02 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515095 | CIF | C4 H5 Ag N2 | P 1 21/n 1 | 6.828; 5.4298; 10.8209 90; 96.076; 90 | 398.93 | Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A.; Thompson, Amber L.; Goodwin, Andrew L. Supramolecular mechanics in a metal‒organic framework Chemical Science, 2012, 3, 3011 |
| 1515096 | CIF | C69 H54 Ag F9 N8 O9 S3 | P 1 21/c 1 | 17.533; 20.0767; 21.7131 90; 96.387; 90 | 7595.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515097 | CIF | C136 H104 Ag4 F12 N16 O12 S4 | P 1 2/n 1 | 17.1508; 16.7972; 24.955 90; 106.286; 90 | 6900.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515098 | CIF | C132 H104 Ag4 F24 N16 P4 | P -1 | 14.122; 17.707; 32.571 93.111; 97.694; 109.952 | 7543 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515099 | CIF | C68 H52 F6 N8 O6 Pt S2 | P 1 21/c 1 | 28.295; 8.808; 29.743 90; 97.637; 90 | 7346.9 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515100 | CIF | C72 H64 F6 N8 O8 Ru S4 | P 1 21/n 1 | 12.306; 18.427; 16.292 90; 100.907; 90 | 3627.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515101 | CIF | C69 H54 Cl2 Co F6 N8 O6 S2 | P 1 21/n 1 | 16.995; 13.564; 27.388 90; 93.097; 90 | 6304 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515102 | CIF | C70 H58 Cl2 Cr F6 N10 P | P 1 21 1 | 12.1931; 13.7529; 18.886 90; 91.471; 90 | 3166 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515103 | CIF | C68 H54 Ag3 Cl4 F3 N8 O3 S | C 1 2/c 1 | 33.096; 16.4589; 26.678 90; 120.04; 90 | 12580.1 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515104 | CIF | C68 H52 F6 N8 O6 Pd S2 | P 1 21/c 1 | 28.29; 8.8229; 29.69 90; 97.815; 90 | 7341.8 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515105 | CIF | C68 H52 F6 N8 Ni O6 S2 | P 1 21/n 1 | 17.1544; 28.6906; 29.7309 90; 104.592; 90 | 14160.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515106 | CIF | C66 H52 F6 I2 N8 P Rh | P 1 21 1 | 12.646; 13.785; 18.779 90; 90.702; 90 | 3273 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515107 | CIF | C69 H52 Au F9 N8 O9 S3 | P 1 21/n 1 | 18.2751; 13.6076; 27.721 90; 92.926; 90 | 6884.7 | Lu, Zheng; Cramer, S. Alan; Jenkins, David M. Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes Chemical Science, 2012, 3, 3081 |
| 1515108 | CIF | C45 H35 Cl4 Co2 F18 N10 O2 P3 | P 1 21/c 1 | 13.6543; 24.252; 18.6535 90; 94.437; 90 | 6158.5 | Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science, 2012, 3, 3058 |
| 1515109 | CIF | C47 H53 Co2 F18 N14 O3 P3 | P -1 | 12.15; 13.31; 17.433 95.7; 96.001; 107.53 | 2648 | Rigsby, Matthew L.; Mandal, Sukanta; Nam, Wonwoo; Spencer, Lara C.; Llobet, Antoni; Stahl, Shannon S. Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution Chemical Science, 2012, 3, 3058 |
| 1515110 | CIF | C25 H29 Br2 Cl3 N2 O2 | P 1 21/n 1 | 8.6872; 24.892; 12.6503 90; 92.44; 90 | 2733 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515111 | CIF | C23 H29 Br2 Cl3 N2 | P 1 2/c 1 | 18.893; 8.2648; 17.927 90; 108.099; 90 | 2660.7 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515112 | CIF | C22.5 H27.5 Br2 Cl4.5 N2 | P b c a | 28.784; 28.621; 13.801 90; 90; 90 | 11370 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515113 | CIF | C24 H28 N2 O3 | P -1 | 8.005; 8.772; 16.048 91.431; 103.924; 98.836 | 1078.5 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515114 | CIF | C26 H34 N2 O2 S2 | P 1 21/c 1 | 14.9337; 11.8693; 13.6108 90; 92.054; 90 | 2411 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515115 | CIF | C36 H38 N2 O2 S2 | P -1 | 11.0307; 12.136; 12.8498 69.777; 79.796; 85.828 | 1588.5 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515116 | CIF | C36 H34 N2 O4 | P 1 21/n 1 | 11.5; 17.626; 14.155 90; 91.498; 90 | 2868.2 | Wiggins, Kelly M.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Homonuclear bond activation using a stable N,N′-diamidocarbene Chemical Science, 2012, 3, 2986 |
| 1515117 | CIF | C10 H10 B2 N2 | P b c n | 19.076; 9.301; 10.997 90; 90; 90 | 1951.2 | Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825 |
| 1515118 | CIF | C12 H10 B N | F d d 2 | 23.388; 31.934; 5.423 90; 90; 90 | 4050 | Marwitz, Adam J. V.; Lamm, Ashley N.; Zakharov, Lev N.; Vasiliu, Monica; Dixon, David A.; Liu, Shih-Yuan BN-substituted diphenylacetylene: a basic model for conjugated π-systems containing the BN bond pair Chemical Science, 2012, 3, 825 |
| 1515119 | CIF | C19 H23 N7 O11 | P -1 | 9.537; 11.248; 12.439 107.701; 97.463; 104.937 | 1196.4 | Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683 |
| 1515120 | CIF | C19 H23 N7 O11 | P -1 | 9.51; 11.31; 12.46 107.583; 97.533; 104.719 | 1204 | Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683 |
| 1515121 | CIF | C19 H23 N7 O11 | P -1 | 9.525; 11.38; 12.488 107.619; 97.507; 104.894 | 1214 | Coles, Simon J.; Gale, Philip A. Changing and challenging times for service crystallography Chemical Science, 2012, 3, 683 |
| 1515122 | CIF | C22 H22 O4 | P 1 21/c 1 | 9.534; 19.6; 10.977 90; 110.365; 90 | 1923 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
| 1515123 | CIF | C22 H29 N O4 | P 1 21/c 1 | 16.399; 7.8427; 16.851 90; 108.538; 90 | 2054.8 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
| 1515124 | CIF | C14 H16 O5 | P 1 21/n 1 | 14.348; 11.622; 16.672 90; 103.442; 90 | 2703.9 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
| 1515125 | CIF | C21 H29 N O4 | P 1 21/n 1 | 11.21; 16.029; 11.499 90; 102.731; 90 | 2015.4 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
| 1515126 | CIF | C19 H21 N3 O4 | I b a 2 | 17.443; 21.703; 9.844 90; 90; 90 | 3726.6 | Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J. Low-temperature ketene formation in materials chemistry through molecular engineering Chemical Science, 2012, 3, 766 |
| 1515127 | CIF | C46 H63 N5 Ti | P -1 | 9.6914; 12.1082; 22.0163 80.771; 79.72; 73.3185 | 2418.67 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
| 1515128 | CIF | C52 H69 Li3 N6 Ti | P 1 21 1 | 10.2991; 19.4178; 13.0747 90; 101.982; 90 | 2557.8 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
| 1515129 | CIF | C57.5 H82.5 Li2 N5.5 O0.5 Ti | P n a 21 | 18.4575; 16.9731; 17.726 90; 90; 90 | 5553.22 | Schwarz, Andrew D.; Nielson, Alastair J.; Kaltsoyannis, Nikolas; Mountford, Philip The first group 4 metal bis(imido) and tris(imido) complexes Chemical Science, 2012, 3, 819 |
| 1515130 | CIF | C40 H46 N2 O14 Ru2 | C 1 2/c 1 | 23.769; 15.938; 13.3495 90; 102.022; 90 | 4946.3 | Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701 |
| 1515131 | CIF | C259 H247 Cl69 N8 O56 Ru8 | P -1 | 16.0499; 24.504; 26.963 70.041; 77.399; 81.696 | 9699 | Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701 |
| 1515132 | CIF | C122 H120 Cl8 N4 O28 Ru4 | P -1 | 12.0083; 15.379; 20.885 85.969; 78.367; 87.615 | 3766.9 | Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay A solvent-responsive coordination cage Chemical Science, 2012, 3, 701 |
| 1515133 | CIF | C28 H24 Au F6 N4 P | P 1 21/c 1 | 16.2749; 7.2655; 22.8836 90; 91.975; 90 | 2704.3 | Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations Chemical Science, 2012, 3, 752 |
| 1515134 | CIF | F6 Fe2 Rb | P n m a | 7.0177; 7.4499; 10.1765 90; 90; 90 | 532.04 | Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J. RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride Chemical Science, 2012, 3, 741 |
| 1515135 | CIF | C44.1 H48.4 F12 N6 O8.1 Pd Sb2 | P -1 | 12.85; 15.422; 16.768 66.868; 88.549; 80.667 | 3012.7 | Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science, 2012, 3, 778 |
| 1515136 | CIF | C76 H56 Cl4 N16 Pd2 Pt2 | P -1 | 11.9663; 12.345; 17.495 76.455; 83.846; 85.135 | 2493.3 | Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D. Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery Chemical Science, 2012, 3, 778 |
| 1515137 | CIF | C29 H57 O4 Si2 | P 21 21 21 | 12.0562; 13.9646; 18.9224 90; 90; 90 | 3185.8 | Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 892-895 |
| 1515138 | CIF | C24 H32 Fe | P -1 | 9.731; 11.057; 18.275 89.321; 76.443; 87.163 | 1909.2 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
| 1515139 | CIF | C18 H16 Fe | P 1 21/c 1 | 8.2905; 11.7186; 13.8485 90; 106.91; 90 | 1287.3 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
| 1515140 | CIF | C12 H8 D4 Fe | P b c a | 7.3925; 12.3693; 19.4209 90; 90; 90 | 1775.85 | Gilroy, Joe B.; Russell, Andrew D.; Stonor, Andrew J.; Chabanne, Laurent; Baljak, Sladjana; Haddow, Mairi F.; Manners, Ian An iron-cyclopentadienyl bond cleavage mechanism for the thermal ring-opening polymerization of dicarba[2]ferrocenophanes Chemical Science, 2012, 3, 830 |
| 1515141 | CIF | C12 H52 Mn2 Mo12 N8 Na2 O74 P8 Zn3 | C 1 2/c 1 | 30.829; 14.572; 24.908 90; 123.658; 90 | 9313.8 | Du, Dong-Ying; Qin, Jun-Sheng; Wang, Ting-Ting; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Wang, En-Bo Polyoxometalate-based crystalline tubular microreactor: redox-active inorganic‒organic hybrid materials producing gold nanoparticles and catalytic properties Chemical Science, 2012, 3, 705 |
| 1515142 | CIF | C104.75 H113.5 Dy2 N10 O16.25 | P 1 21/n 1 | 21.5894; 20.9227; 23.8146 90; 109.321; 90 | 10151.4 | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158 |
| 1515143 | CIF | C129.5 H133.5 Dy2 N10.5 O17.5 | P -1 | 14.3544; 18.9741; 23.049 86.019; 81.988; 79.315 | 6102.5 | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158 |
| 1515144 | CIF | C144.5 H165 Dy2 N10 O19.5 | P 1 21/n 1 | 11.784; 22.87; 52.23 90; 95.811; 90 | 14004 | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets Chemical Science, 2012, 3, 2158 |
| 1515145 | CIF | C28 H29 N O S | P 21 21 21 | 9.357; 13.439; 18.66 90; 90; 90 | 2346 | Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro Hindered biaryls by C–H coupling: bisoxazoline-Pd catalysis leading to enantioselective C–H coupling Chemical Science, 2012, 3, 2165 |
| 1515146 | CIF | C6 H3 N4 Ni0.1 O3.25 Zn | F m -3 m | 25.838; 25.838; 25.838 90; 90; 90 | 17249.5 | Brozek, Carl K.; Dincă, Mircea Lattice-imposed geometry in metal‒organic frameworks: lacunary Zn4O clusters in MOF-5 serve as tripodal chelating ligands for Ni2+ Chemical Science, 2012, 3, 2110 |
| 1515147 | CIF | C21 H15 Br N2 O2 | P 21 21 21 | 8.712; 12.244; 16.51 90; 90; 90 | 1761.1 | Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D. Catalytic asymmetric α-amination of carboxylic acids using isothioureas Chemical Science, 2012, 3, 2088 |
| 1515148 | CIF | C49.9 H48.6 Cl0.2 N O3.9 S | P 1 21/c 1 | 20.1837; 9.1091; 23.0754 90; 110.794; 90 | 3966.2 | Chen, Sijie; Liu, Jianzhao; Liu, Yang; Su, Huimin; Hong, Yuning; Jim, Cathy K. W.; Kwok, Ryan T. K.; Zhao, Na; Qin, Wei; Lam, Jacky W. Y.; Wong, Kam Sing; Tang, Ben Zhong An AIE-active hemicyanine fluorogen with stimuli-responsive red/blue emission: extending the pH sensing range by “switch + knob” effect Chemical Science, 2012, 3, 1804 |
| 1515149 | CIF | C8 H4 Br2 O2 | C 1 2/c 1 | 17.3296; 3.8995; 13.8867 90; 114.947; 90 | 850.86 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515150 | CIF | C16 H8 Br2 O4 | C 1 2/c 1 | 13.2036; 7.7069; 14.7968 90; 107.154; 90 | 1438.72 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515151 | CIF | C32 H16 Br2 O8 | C 1 2/c 1 | 13.3084; 6.8541; 29.076 90; 93.477; 90 | 2647.35 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515152 | CIF | C12 H6 I2 O3 | P 1 21/c 1 | 8.6955; 11.3755; 13.3637 90; 103.355; 90 | 1286.13 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515153 | CIF | C20 H10 Br2 O5 | C 1 c 1 | 8.1262; 15.991; 13.825 90; 101.243; 90 | 1762 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515154 | CIF | C28 H14 Br2 O7 | P -1 | 7.3671; 12.397; 13.127 92.975; 93.428; 95.781 | 1188.6 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515155 | CIF | C24 H12 Br2 O6 | P -1 | 6.9255; 7.3969; 11.6514 72.785; 78.03; 63.603 | 508.68 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515156 | CIF | C24 H14 O6 | P 1 21/a 1 | 5.9382; 22.9614; 6.718 90; 91.539; 90 | 915.66 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515157 | CIF | C8 H6 O2 | P 1 21/n 1 | 8.9805; 7.2435; 15.1904 90; 97.9427; 90 | 978.66 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515158 | CIF | C12 H8 O3 | P c a 21 | 24.2219; 5.1953; 7.4212 90; 90; 90 | 933.88 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515159 | CIF | C12 H6 O3 | C 1 2/c 1 | 15.185; 8.7609; 7.1418 90; 116.501; 90 | 850.27 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515160 | CIF | C16 H8 O4 | A b a 2 | 8.8594; 8.8592; 46.7607 90; 90; 90 | 3670.12 | Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S. β-Oligofurans Chemical Science, 2012, 3, 2133 |
| 1515161 | CIF | C40 H34 N10 O9 | P 21 21 21 | 10.3551; 13.6824; 25.595 90; 90; 90 | 3626.4 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
| 1515162 | CIF | C40 H32 Cl2 N10 O8 | P 21 21 21 | 10.5103; 13.662; 25.537 90; 90; 90 | 3666.9 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
| 1515163 | CIF | C40 H32 Cl2 N10 O8 | P 21 21 21 | 10.5003; 13.6695; 25.51 90; 90; 90 | 3661.5 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
| 1515164 | CIF | C41 H33.25 Cl0.25 F N9 O8.75 | P 21 21 21 | 10.4183; 13.6836; 25.671 90; 90; 90 | 3659.7 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
| 1515165 | CIF | C41 H33 N9 O9 | P 1 21/n 1 | 7.8466; 33.387; 14.0698 90; 94.602; 90 | 3674 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
| 1515166 | CIF | C46 H36 N10 O9 | P -1 | 10.611; 12.959; 16.4525 73.499; 77.989; 72.668 | 2051.8 | Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities Chemical Science, 2012, 3, 2042 |
| 1515167 | CIF | C32 H60 N4 O6 Rh2 | P 1 21/c 1 | 6.9865; 19.2728; 14.239 90; 103.327; 90 | 1865.64 | Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science, 2012, 3, 1785 |
| 1515168 | CIF | C20 H34 N6 O6 Rh2 | P 1 21/n 1 | 16.372; 8.7441; 17.2355 90; 104.039; 90 | 2393.71 | Siu, Fung-Ming; Lin, Iris Wing-Shan; Yan, Kun; Lok, Chun-Nam; Low, Kam-Hung; Leung, Thomas Yun-Chung; Lam, Tin-Lun; Che, Chi-Ming Anticancer dirhodium(ii,ii) carboxylates as potent inhibitors of ubiquitin-proteasome system Chemical Science, 2012, 3, 1785 |
| 1515169 | CIF | C108 H168 N12 | C 2 2 21 | 18.9708; 25.2751; 26.5778 90; 90; 90 | 12743.8 | Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science, 2012, 3, 2153 |
| 1515170 | CIF | C123 H195 Cl9 N12 | I 2 3 | 19.2362; 19.2362; 19.2362 90; 90; 90 | 7118 | Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L. Alkylated organic cages: from porous crystals to neat liquids Chemical Science, 2012, 3, 2153 |
| 1515171 | CIF | C24 H24 N4 O2 S2 | P 21 21 21 | 8.5206; 13.968; 18.439 90; 90; 90 | 2194.5 | Boyer, Nicolas; Movassaghi, Mohammad Concise Total Synthesis of (+)-Gliocladins B and C. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1798-1803 |
| 1515172 | CIF | C49 H50 F O9 P | P 21 21 2 | 24.661; 27.676; 6.5393 90; 90; 90 | 4463.2 | Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science, 2012, 3, 1866 |
| 1515173 | CIF | C49 H50 F O9 P | P 1 21 1 | 17.7436; 5.5873; 22.281 90; 105.469; 90 | 2128.9 | Forget, Stephanie M.; Bhattasali, Debabrata; Hart, V. Catherine; Cameron, T. Stanley; Syvitski, Ray T.; Jakeman, David L. Synthesis and enzymatic evaluation of ketose phosphonates: the interplay between mutarotation, monofluorination and acidity Chemical Science, 2012, 3, 1866 |
| 1515174 | CIF | C18 H21 Au N3 P | P 21 21 21 | 10.131; 16.286; 22.312 90; 90; 90 | 3681 | Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line Chemical Science, 2012, 3, 2062 |
| 1515175 | CIF | C44 H57 I2 N7 O | P 1 21/c 1 | 9.249; 36.15; 14.659 90; 109.97; 90 | 4606.6 | Sokkalingam, Punidha; Kim, Dong Sub; Hwang, Hyonseok; Sessler, Jonathan L.; Lee, Chang-Hee A dicationic calix[4]pyrrole derivative and its use for the selective recognition and displacement-based sensing of pyrophosphate Chemical Science, 2012, 3, 1819 |
| 1515176 | CIF | C35.5 B Cl D F25 O | C 1 2/c 1 | 28.351; 13.1576; 19.608 90; 112.633; 90 | 6751.1 | Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science, 2012, 3, 1814 |
| 1515177 | CIF | C41.25 H10.5 B Cl0.25 F25 N2 | P -1 | 11.003; 19.158; 20.004 76.77; 85.03; 73.96 | 3943.8 | Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex Chemical Science, 2012, 3, 1814 |
| 1515178 | CIF | C23 H22 O5 | P 1 | 7.7512; 8.1381; 8.4256 69.558; 79.669; 74.031 | 476.75 | Li, Jun-Long; Zhou, Si-Li; Chen, Peng-Qiao; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun Asymmetric Diels–Alder reaction of β,β-disubstituted enals and chromone-fused dienes: construction of collections with high molecular complexity and skeletal diversity Chemical Science, 2012, 3, 1879 |
| 1515179 | CIF | C12 H12 O3 | P 1 21/c 1 | 11.846; 6.8888; 12.417 90; 99.999; 90 | 997.9 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
| 1515180 | CIF | C13 H14 O3 | P -1 | 9.013; 9.018; 28.9 87.731; 87.947; 89.841 | 2346 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
| 1515181 | CIF | C16 H18 O2 S2 | P 1 21/c 1 | 7.089; 15.631; 13.579 90; 92.518; 90 | 1503.2 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
| 1515182 | CIF | C18 H16 O2 | P n a 21 | 19.372; 5.761; 24.488 90; 90; 90 | 2733 | Li, Bao-Sheng; Yang, Bin-Miao; Wang, Shao-Hua; Zhang, Yong-Qiang; Cao, Xiao-Ping; Tu, Yong-Qiang Copper(i)-catalyzed intramolecular [2 + 2] cycloaddition of 1,6-enyne-derived ketenimine: an efficient construction of strained and bridged 7-substituted-3-heterobicyclo[3.1.1]heptan-6-one Chemical Science, 2012, 3, 1975 |
| 1515183 | CIF | C30 H32 B F16 O P | P -1 | 11.177; 11.228; 13.582 69.214; 82.733; 82.327 | 1573.5 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515184 | CIF | C21 H14 B F16 O P | P 1 21/c 1 | 16.1479; 9.9549; 15.5394 90; 109.713; 90 | 2351.6 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515185 | CIF | C25 H14 B F16 N O | P -1 | 9.1801; 10.333; 13.984 82.073; 74.808; 80.634 | 1256.7 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515186 | CIF | C27 H24 B F16 N O | P 1 21/n 1 | 11.1705; 16.0049; 15.9286 90; 95.113; 90 | 2836.4 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515187 | CIF | C25.5 H17 B Cl F16 N O | P -1 | 11.938; 15.0103; 16.2877 108.689; 100.946; 90.15 | 2708.1 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515188 | CIF | C26 H18 B F16 N O | P 1 21/n 1 | 9.4047; 11.0955; 25.2965 90; 95.391; 90 | 2628 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515189 | CIF | C29 H22 B F16 N2 O | P -1 | 10.7955; 17.5647; 20.0048 67.706; 77.881; 89.561 | 3420.7 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515190 | CIF | C43.99 H27.98 B Cl1.98 F16 O P | P 1 21/c 1 | 17.2019; 14.7018; 16.5689 90; 96.135; 90 | 4166.3 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515191 | CIF | C28 H28 B F16 N O | P 1 21/n 1 | 11.1411; 17.8797; 14.7969 90; 98.591; 90 | 2914.5 | Zhao, Xiaoxi; Stephan, Douglas W. Frustrated Lewis pair olefin addition reactions: P-, N-, C- and H-based nucleophilic additions to an olefin-tethered borane Chemical Science, 2012, 3, 2123 |
| 1515192 | CIF | C8 H10 N12 O Zn | R -3 :H | 23.862; 23.862; 14.686 90; 90; 120 | 7241.8 | Qin, Jun-Sheng; Du, Dong-Ying; Li, Wen-Liang; Zhang, Jing-Ping; Li, Shun-Li; Su, Zhong-Min; Wang, Xin-Long; Xu, Qiang; Shao, Kui-Zhan; Lan, Ya-Qian N-rich zeolite-like metal‒organic framework with sodalite topology: high CO2 uptake, selective gas adsorption and efficient drug delivery Chemical Science, 2012, 3, 2114 |
| 1515193 | CIF | C44 H38 N6 O2 S6 Zn2 | P -1 | 12.575; 13.205; 14.031 112.044; 95.622; 104.585 | 2041.3 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515194 | CIF | C31 H47 B N6 O3 Zn | P 1 21/n 1 | 10.75; 19.725; 15.634 90; 91.283; 90 | 3314 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515195 | CIF | C39 H30 N6 O3 S6 Zn2 | P 1 21/c 1 | 22.3176; 10.4067; 17.2733 90; 99.229; 90 | 3959.8 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515196 | CIF | C23 H19 N3 O3 S3 Zn | P 1 21/n 1 | 8.928; 14.6268; 18.4948 90; 103.861; 90 | 2344.9 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515197 | CIF | C35 H28 N6 O3.5 S6 Zn2 | C 1 2/c 1 | 31.669; 8.7545; 28.505 90; 108.802; 90 | 7481 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515198 | CIF | C40.75 H36 N6 O2 S6 Zn2 | P -1 | 12.632; 15.474; 22.903 93.59; 96.263; 107.39 | 4225.2 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515199 | CIF | C33 H24 N6 O3 S6 Zn2 | P 1 21/n 1 | 8.8656; 28.048; 14.4431 90; 102.816; 90 | 3502 | Sattler, Wesley; Parkin, Gerard Structural characterization of zinc bicarbonate compounds relevant to the mechanism of action of carbonic anhydrase Chemical Science, 2012, 3, 2015 |
| 1515200 | CIF | C48 H72 K2 N6 O18 | P 1 21/n 1 | 22.76; 7.558; 31.61 90; 97.626; 90 | 5389 | Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science, 2012, 3, 1436 |
| 1515201 | CIF | C56 H104 N8 O10 P2 | C 1 2/c 1 | 19.3998; 20.67; 16.7096 90; 112.026; 90 | 6211.4 | Haynes, Cally J. E.; Moore, Stephen J.; Hiscock, Jennifer R.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A. Tunable transmembrane chloride transport by bis-indolylureas Chemical Science, 2012, 3, 1436 |
| 1515202 | CIF | C45 H45 Cl5 Fe N3 O4 P | P 1 21/c 1 | 19.234; 14.717; 16.801 90; 107.866; 90 | 4526.5 | McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693 |
| 1515203 | CIF | C30 H26 Fe2 N6 O9 | C 1 2/c 1 | 18.81; 8.8413; 23.661 90; 109.478; 90 | 3709.7 | McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693 |
| 1515204 | CIF | C42 H58 Fe2 N6 O13 | C 1 2/c 1 | 24.8834; 8.8381; 24.4677 90; 120.136; 90 | 4653.7 | McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J' Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693 |
| 1515205 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7223; 21.7779; 16.3387 90; 105.321; 90 | 3679.6 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515206 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7119; 21.742; 16.4105 90; 105.404; 90 | 3684.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515207 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7245; 21.8948; 16.3488 90; 105.251; 90 | 3703.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515208 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.786; 22.362; 16.405 90; 104.945; 90 | 3823 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515209 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7248; 22.0346; 16.3099 90; 105.166; 90 | 3720.1 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515210 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.7075; 21.8698; 16.3273 90; 105.309; 90 | 3687.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515211 | CIF | C39 H37 Cl2 N2 O6 P Pd | P 1 21/c 1 | 10.6878; 21.7334; 16.3349 90; 105.419; 90 | 3657.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515212 | CIF | C50 H55 N5 O12 Pd2 | P -1 | 11.125; 15.392; 15.758 74.695; 77.903; 70.463 | 2430.9 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515213 | CIF | C42 H48 N8 O12 Pd | P -1 | 8.435; 10.2678; 13.5105 77.953; 76.502; 72.666 | 1073.86 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515214 | CIF | C41 H40 Cl2 N O6 P Pd | C 1 2/c 1 | 47.4181; 11.0136; 17.7382 90; 107.608; 90 | 8829.7 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515215 | CIF | C12 H25 N3 O4 Pd | P 1 21/n 1 | 10.5351; 9.7782; 15.3104 90; 90.555; 90 | 1577.12 | Bajwa, Somia E.; Storr, Thomas E.; Hatcher, Lauren E.; Williams, Thomas J.; Baumann, Christoph G.; Whitwood, Adrian C.; Allan, David R.; Teat, Simon J.; Raithby, Paul R.; Fairlamb, Ian J. S. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3 Chemical Science, 2012, 3, 1656 |
| 1515216 | CIF | C122 H124 Br2 Cl12 N8 O4 Zn2 | P -1 | 10.337; 15.431; 19.611 82.82; 84.35; 82.95 | 3069.2 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
| 1515217 | CIF | C150 H162 N12 O2 Zn2 | P -1 | 11.998; 14.379; 19.482 82.891; 87.456; 76.474 | 3242.3 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
| 1515218 | CIF | C154.044 H162.374 N11.518 O2 Zn2 | P -1 | 10.038; 18.807; 19.38 78.31; 84.46; 82.55 | 3543 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
| 1515219 | CIF | C184 H178 N10 Zn2 | P -1 | 11.254; 16.718; 19.85 83.634; 79.865; 87.849 | 3653.1 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
| 1515220 | CIF | C236 H235 Br2 Cl3 N16 O8 Zn4 | P -1 | 15.4354; 16.6155; 21.9618 98.915; 98.974; 93.126 | 5478.4 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
| 1515221 | CIF | C172 H182 N16 Zn2 | P -1 | 12.428; 14.323; 21.854 80.953; 87.36; 69.226 | 3592 | Pawlicki, Miłosz; Morisue, Mitsuhiko; Davis, Nicola K. S.; McLean, Daniel G.; Haley, Joy E.; Beuerman, Erich; Drobizhev, Mikhail; Rebane, Aleksander; Thompson, Amber L.; Pascu, Sofia I.; Accorsi, Gianluca; Armaroli, Nicola; Anderson, Harry L. Engineering conjugation in para-phenylene-bridged porphyrin tapes Chemical Science, 2012, 3, 1541 |
| 1515222 | CIF | C28 H28 N4 O5 | P 21 21 21 | 8.5307; 9.5523; 30.0128 90; 90; 90 | 2445.7 | Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C–H bond functionalizations Chemical Science, 2012, 3, 1623 |
| 1515223 | CIF | C26 H25 N3 O3.35 Pd | P 21 21 21 | 10.6627; 13.0584; 17.7049 90; 90; 90 | 2465.19 | Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M. Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations Chemical Science, 2012, 3, 1623 |
| 1515224 | CIF | C68 H75 N3 O17 Rh2 | P 1 21 1 | 9.957; 21.918; 15.524 90; 104.837; 90 | 3275 | Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M. Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1589-1593 |
| 1515225 | CIF | C134 Cl6 D2 F28 | P n m a | 9.9798; 16.4442; 24.1424 90; 90; 90 | 3962 | Kuvychko, Igor V.; Whitaker, James B.; Larson, Bryon W.; Folsom, Travis C.; Shustova, Natalia B.; Avdoshenko, Stanislav M.; Chen, Yu-Sheng; Wen, Hui; Wang, Xue-Bin; Dunsch, Lothar; Popov, Alexey A.; Boltalina, Olga V.; Strauss, Steven H. Substituent effects in a series of 1,7-C60(RF)2 compounds (RF = CF3, C2F5, n-C3F7, i-C3F7, n-C4F9, s-C4F9, n-C8F17): electron affinities, reduction potentials and E(LUMO) values are not always correlated Chemical Science, 2012, 3, 1399 |
| 1515226 | CIF | C35 H33 Fe N2 O4.41 P | P 21 21 21 | 8.45; 11.0814; 32.443 90; 90; 90 | 3037.9 | Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science, 2012, 3, 1486 |
| 1515227 | CIF | C34 H31 Fe N2 O4 P | P 1 21 1 | 7.0453; 24.2072; 9.1599 90; 109.031; 90 | 1476.81 | Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P. Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions Chemical Science, 2012, 3, 1486 |
| 1515228 | CIF | C14 H12 Cl3 N5 Os | C 1 2/c 1 | 14.4225; 13.237; 9.0745 90; 102.821; 90 | 1689.2 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
| 1515229 | CIF | C8 H12 Cl3 N5 Os | C 1 2/c 1 | 10.314; 15.45; 8.562 90; 96.39; 90 | 1355.9 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
| 1515230 | CIF | C10 H16 Cl3 N5 Os | C 1 2/c 1 | 10.466; 14.595; 10.063 90; 92.79; 90 | 1535.31 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
| 1515231 | CIF | C16 H16 Cl3 N5 Os | P -1 | 10.4137; 11.0728; 11.4646 87.628; 70.662; 66.25 | 1135.25 | Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents Chemical Science, 2012, 3, 1582 |
| 1515232 | CIF | C23.5 H27 Cl F6 N2 Rh Sb | P 1 21/c 1 | 24.2; 13.427; 16.2572 90; 95.747; 90 | 5256 | Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science, 2012, 3, 1634 |
| 1515233 | CIF | C35 H36 F6 N2 O2 Rh S Sb | P 1 21/c 1 | 18.507; 10.873; 17.673 90; 103.416; 90 | 3459 | Li, Yang; Zhang, Xi-Sha; Li, Hu; Wang, Wen-Hua; Chen, Kang; Li, Bi-Jie; Shi, Zhang-Jie Mechanistic understanding of Rh-catalyzed N-sulfonylaldimine insertion into aryl C‒H bonds Chemical Science, 2012, 3, 1634 |
| 1515234 | CIF | C86 H109 F30 N16 O10 P | P 21 21 21 | 19.21; 20.782; 25.12 90; 90; 90 | 10028 | Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522 |
| 1515235 | CIF | C43 H54 F15 N8 O4 | P -1 | 13.939; 14.194; 14.511 93.624; 118.198; 96.509 | 2491.5 | Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522 |
| 1515236 | CIF | C21 H19 B | P 1 21/a 1 | 7.9976; 30.448; 13.5205 90; 96.2528; 90 | 3272.8 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515237 | CIF | C24 H22 B N | P 4/n :2 | 22.546; 22.546; 7.1203 90; 90; 90 | 3619.4 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515238 | CIF | C23 H19 B O | C 1 2/c 1 | 25.956; 8.077; 16.85 90; 105.859; 90 | 3398.1 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515239 | CIF | C23 H19 B S | C 1 2/c 1 | 32.132; 7.89; 14.955 90; 106.728; 90 | 3631 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515240 | CIF | C11 H23 Cl N6 | P -1 | 4.4289; 9.6455; 17.6718 101.395; 95.279; 92.673 | 735.28 | Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains Chemical Science, 2012, 3, 3227 |
| 1515241 | CIF | C67 H74 B F4 N3 O8 | P 1 21/c 1 | 16.242; 18.9077; 19.5236 90; 94.318; 90 | 5978.7 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515242 | CIF | C100 H114 N4 O10 | P 1 21/c 1 | 14.1231; 23.13; 26.377 90; 100.575; 90 | 8470.2 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515243 | CIF | C76.5 H96.5 B2 Cl1.5 F8 N4 O8 | C 1 2/c 1 | 13.833; 29.043; 38.755 90; 97.751; 90 | 15428 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515244 | CIF | C89.5 H107.5 B2 Cl1.5 F8 N5 O12 | P 1 21/c 1 | 21.517; 39.753; 11.1884 90; 96.934; 90 | 9500 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515245 | CIF | C89 H111 B2 F8 N9 O18 | P -1 | 14.951; 16.589; 9.3553 100.333; 92.296; 91.691 | 2279.3 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515246 | CIF | C15 H15 N O3 S | P 21 21 21 | 5.4774; 10.39; 25.084 90; 90; 90 | 1427.5 | Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161 |
| 1515247 | CIF | C16 H17 N O4 S | P 21 21 21 | 5.5219; 12.136; 23.04 90; 90; 90 | 1544 | Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161 |
| 1515248 | CIF | C23 H23 Cu F18 N O6 | P -1 | 10.2817; 10.9413; 15.5048 88.673; 82.244; 67.515 | 1596.1 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515249 | CIF | C26 H30 F18 N Ni O6 | P -1 | 9.9155; 10.9991; 15.6366 83.547; 90.332; 70.468 | 1595.32 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515250 | CIF | C23 H23 F18 N O6 Zn | P -1 | 10.3786; 10.8425; 15.1786 86.056; 80.156; 67.947 | 1559.8 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515251 | CIF | C21 H15 Cu F12 N O6 S | P -1 | 11.5841; 12.0774; 12.1591 63.859; 71.425; 64.501 | 1360.82 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515252 | CIF | C23 H20 Cl N O2 S | P 1 21 1 | 10.3431; 9.0814; 10.9394 90; 102.94; 90 | 1001.44 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515253 | CIF | C23 H20 Cl N O2 S | P 1 21 1 | 11.9219; 12.6553; 13.531 90; 106.461; 90 | 1957.82 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515254 | CIF | C8 H10 Cd N4 | I m -3 m | 30.5539; 30.5539; 30.5539 90; 90; 90 | 28523.3 | Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T. Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange Chemical Science, 2012, 3, 3256 |
| 1515255 | CIF | C8 H12 N O2 | P 1 21/c 1 | 7.3754; 11.0558; 9.6355 90; 105.863; 90 | 755.77 | Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines Chemical Science, 2012, 3, 3249 |
| 1515256 | CIF | C156 H60 N12 O50 Zn19 | I a -3 | 43.03; 43.03; 43.03 90; 90; 90 | 79674 | Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823 |
| 1515257 | CIF | C156 H60 Cd11 N12 O51 | P m -3 m | 22.521; 22.521; 22.521 90; 90; 90 | 11423 | Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823 |
| 1515258 | CIF | C169.5 H273 Mn7 N18 O37.5 | R -3 :H | 32.152; 32.152; 31.611 90; 90; 120 | 28300 | Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet Chemical Science, 2012, 3, 2868 |
| 1515259 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515260 | CIF | C104 H118 N22 O20 | I 1 2/a 1 | 23.1428; 17.9913; 27.126 90; 97.895; 90 | 11187.4 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515261 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515262 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515263 | CIF | C110 H110 Cl9 N7 S24 | C 1 2/c 1 | 31.769; 20.0818; 24.852 90; 129.585; 90 | 12219.2 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515264 | CIF | C110 H127 Cl3 N6 S20 | P n m a | 28.3045; 24.6469; 17.5652 90; 90; 90 | 12253.8 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515265 | CIF | C79 H85 Cl8 N5 S16 | P n n m | 29.858; 14.168; 21.609 90; 90; 90 | 9141 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515266 | CIF | C18 H36 Cd N2 | P 1 21/n 1 | 11.8651; 11.5596; 15.509 90; 112.201; 90 | 1969.45 | Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D. Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation? Chemical Science, 2012, 3, 2700 |
| 1515267 | CIF | C32 H28 N6 Si | P b c n | 20.8494; 10; 13.5537 90; 90; 90 | 2825.9 | Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission Chemical Science, 2012, 3, 2737 |
| 1515268 | CIF | C18 H21 N O6 | P 1 | 11.3125; 12.0218; 13.7304 102.179; 107.108; 93.227 | 1730.44 | Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A. Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis Chemical Science, 2012, 3, 121 |
| 1515269 | CIF | C29 H40 Au Cl4 F N2 | P 1 21/m 1 | 9.3108; 16.3917; 10.7713 90; 103.594; 90 | 1597.9 | Mankad, Neal P.; Toste, F. Dean C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 72-76 |
| 1515270 | CIF | C24 H25 Br N2 O | P 21 21 21 | 7.4734; 46.036; 6.1199 90; 90; 90 | 2105.5 | Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles Chemical Science, 2012, 3, 205 |
| 1515271 | CIF | C67.5 H36 B F24 N5 P | C 1 2/c 1 | 30.1073; 18.082; 22.4608 90; 106.257; 90 | 11738.8 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515272 | CIF | C74.5 H22.25 Cl3.25 F24 N5 O P | P 1 21/a 1 | 29.5322; 10.3705; 41.5808 90; 99.1602; 90 | 12572.3 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515273 | CIF | C76 H30 F24 N5 P S | P 1 21/c 1 | 19.4591; 8.6913; 37.1609 90; 94.5998; 90 | 6264.6 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515274 | CIF | C57.75 H11 Cl3 F24 N6 O1.5 P | P -1 | 10.1849; 14.9773; 17.6759 85.568; 88.271; 76.766 | 2616.7 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515275 | CIF | C14 H21 N9 O6 | P 1 | 15.8942; 16.2322; 17.6688 89.748; 72.741; 63.537 | 3853.3 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515276 | CIF | C24 H70 N6 O30 S2 | P 1 21 1 | 6.8516; 26.1435; 12.6653 90; 102.975; 90 | 2210.7 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515277 | CIF | C24 H70 N6 O30 S2 | C 2 2 21 | 6.7453; 25.6806; 25.6822 90; 90; 90 | 4448.76 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515278 | CIF | C56 H118 N13 O47 S5 | P 1 | 6.6138; 16.3922; 23.9598 101.113; 92.328; 95.176 | 2534 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515283 | CIF | B H8 Li N2 | C 1 c 1 | 12.1653; 6.7288; 10.3724 90; 104.751; 90 | 821.08 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
| 1515284 | CIF | B H12 Li N4 | P c a 21 | 12.0187; 6.49642; 7.6645 90; 90; 90 | 598.43 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
| 1515285 | CIF | C62 H91 B2 F8 N5 Ni O4 P4 | C 1 2/c 1 | 19.9269; 15.0019; 21.745 90; 102.643; 90 | 6342.9 | Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P. Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes Energy & Environmental Science, 2012, 5, 6480 |
| 1515286 | CIF | C54 H80 B Cl3 Mg2 O6 | P 1 21/n 1 | 16.076; 23.952; 17.49 90; 108.075; 90 | 6402 | Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries Energy & Environmental Science, 2012, 5, 9100 |
| 1515287 | CIF | C36 H58 Al Cl5 Mg2 O6 | P -1 | 12.9569; 13.0714; 13.4709 77.757; 85.936; 72.074 | 2121.33 | Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941 |
| 1515288 | CIF | C48 H68 B Cl3 Mg2 O6 | P 1 21/c 1 | 16.4151; 16.5787; 18.5617 90; 109.364; 90 | 4765.6 | Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941 |
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