Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
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