Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515813 | CIF | C29 H34 Cl2 F6 N2 O6 Pd2 | P c a 21 | 33.636; 11.4193; 18.0125 90; 90; 90 | 6918.6 | Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science, 2010, 1, 331 |
| 1515814 | CIF | C24 H20 F6 N2 O6 Pd2 | C 1 2/c 1 | 27.0838; 16.8253; 14.3465 90; 121.236; 90 | 5589.9 | Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M. Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate Chemical Science, 2010, 1, 331 |
| 1515817 | CIF | C12 H18 As5 Cl3 Cu3 Fe N | P 1 21/c 1 | 11.66; 21.626; 8.49 90; 90; 90 | 2140.8 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515818 | CIF | C12 H18 As5 Br3 Cu3 Fe N | P 1 21/c 1 | 11.8229; 21.7908; 8.6497 90; 90.118; 90 | 2228.42 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515819 | CIF | C10 H15 As5 Cu2 Fe I2 | P -1 | 8.4256; 10.9119; 11.482 71.256; 81.825; 78.273 | 975.42 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515820 | CIF | C11 H17 As5 Cl2 Cu2 Fe I2 | P n m a | 15.6513; 11.7371; 24.53 90; 90; 90 | 4506.18 | Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred The potential of a cyclo-As5 ligand complex in coordination chemistry Chemical Science, 2010, 1, 337 |
| 1515821 | CIF | C15 H24 Cl2 Cu N3 | P c a 21 | 11.892; 15.074; 9.64 90; 90; 90 | 1728 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515822 | CIF | C15 H24 Br2 Cu N3 | P c a 21 | 12.3103; 15.3429; 9.6916 90; 90; 90 | 1830.5 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515823 | CIF | C15 H24 Cu I2 N3 | P 1 21/c 1 | 7.165; 17.7756; 15.0327 90; 99.274; 90 | 1889.6 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515824 | CIF | C14 H24 Cl2 Cu N3 O | P c a 21 | 12.47; 15.254; 9.07 90; 90; 90 | 1725.3 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515825 | CIF | C14 H22 Cu I2 N3 | P -1 | 15.441; 16.225; 16.686 66.117; 83.242; 70.542 | 3603 | Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions Chemical Science, 2010, 1, 326 |
| 1515826 | CIF | C11 H6 Cu N3 O4 | P 1 21/c 1 | 4.716; 27.833; 10.8881 90; 96.103; 90 | 1421.08 | Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science, 2010, 1, 315 |
| 1515827 | CIF | C12 H6 Cu N5 O4 | P 1 21/c 1 | 4.651; 34.683; 10.812 90; 95.8; 90 | 1735.2 | Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science, 2010, 1, 315 |
| 1515828 | CIF | C8 H4 Cu N3 O4 | P 1 21/c 1 | 4.7331; 19.9244; 10.8678 90; 96.009; 90 | 1019.25 | Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer Chemical Science, 2010, 1, 315 |
| 1515829 | CIF | C78.5 H79 Co N4 O3.5 | P -1 | 13.6816; 14.9382; 19.8125 100.854; 103.727; 109.497 | 3546.3 | McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G. Oxygen reduction reactivity of cobalt(ii) hangman porphyrins Chemical Science, 2010, 1, 411 |
| 1515830 | CIF | C22 H20 O3 | P 1 21/c 1 | 10.6855; 7.9692; 21.0861 90; 102.213; 90 | 1754.95 | Sampath, Magesh; Loh, Teck-Peng Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates, Chemical Science, 2010, 1, 739 |
| 1515831 | CIF | Bi Fe2 Mn O6 | P b c m | 5.0359; 7.07342; 12.65425 90; 90; 90 | 450.757 | Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha BiMnFe2O6, a polysynthetically twinned hcp MO structure Chemical Science, 2010, 1, 751 |
| 1515832 | CIF | C43 H60 Fe2 N4 O | P 1 21/c 1 | 16.3194; 10.7454; 22.9601 90; 97.397; 90 | 3992.7 | Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science, 2010, 1, 697 |
| 1515833 | CIF | C26 H39 Fe N3 | P 1 21/n 1 | 15.253; 9.8425; 16.706 90; 95.195; 90 | 2497.7 | Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science, 2010, 1, 697 |
| 1515834 | CIF | C25 H36 Fe N2 O2 | P 1 21/c 1 | 12.1007; 17.09; 11.5086 90; 97.616; 90 | 2359 | Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules, Chemical Science, 2010, 1, 697 |
| 1515835 | CIF | C24 H44 P2 | P -1 | 9.9447; 11.839; 11.991 117.625; 92.392; 99.186 | 1223.9 | Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science, 2010, 1, 723 |
| 1515836 | CIF | C24 H44 Cl2 P2 Pd | P 1 21/c 1 | 9.1553; 19.646; 15.159 90; 101.766; 90 | 2669.3 | Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science, 2010, 1, 723 |
| 1515837 | CIF | C24 H46 B2 F8 P2 | P -1 | 7.722; 15.101; 24.95 90.779; 97.485; 92.145 | 2882.1 | Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J. Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene Chemical Science, 2010, 1, 723 |
| 1515838 | CIF | C26 H41 N O9 | P 1 21 1 | 10.6909; 10.6557; 12.547 90; 110.269; 90 | 1340.8 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515839 | CIF | C26 H41 N O9 | P 1 21 1 | 5.9601; 10.917; 20.891 90; 94.816; 90 | 1354.5 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515840 | CIF | C26 H41 N O9 | P 21 21 21 | 10.5979; 11.4345; 23.237 90; 90; 90 | 2815.9 | Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W. Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids Chemical Science, 2010, 1, 637 |
| 1515847 | CIF | C16 H28 Br2 Fe N8 | P 1 21/n 1 | 9.5341; 16.1645; 13.717 90; 90.539; 90 | 2113.9 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515848 | CIF | C73 H80 B2 Fe N10 | P -1 | 13.1775; 13.2415; 18.3584 93.46; 97.33; 90.471 | 3170.97 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515849 | CIF | C74 H76 B2 Fe N10 | P -1 | 13.04; 13.169; 22.292 76.65; 79.24; 60.99 | 3244.7 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515850 | CIF | C76 H76 B2 Fe N10 | C 1 2/c 1 | 45.6638; 12.6323; 24.6196 90; 98.831; 90 | 14033.2 | Ni, Zhaoping; McDaniel, Ashley M.; Shores, Matthew P. Ambient temperature anion-dependent spin state switching observed in “mostly low spin” heteroleptic iron(ii) diimine complexes Chemical Science, 2010, 1, 615 |
| 1515851 | CIF | C32 H30 | P -1 | 8.42; 10.445; 15.4972 81.045; 74.819; 68.224 | 1218.9 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515852 | CIF | C31 H29 N | P -1 | 8.3091; 10.524; 15.4592 80.8186; 74.9937; 67.8783 | 1206.7 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515853 | CIF | C31 H29 N | P -1 | 10.1034; 14.8715; 17.8686 74.014; 75.146; 78.92 | 2473.28 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515854 | CIF | C30 H28 N2 | P n n a | 18.9732; 14.5707; 8.6223 90; 90; 90 | 2383.66 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515855 | CIF | C66 H72 Cl4 O4 | P -1 | 9.5378; 11.7657; 13.6855 85.769; 88.725; 71.627 | 1453.51 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515856 | CIF | C61 H61 Cl8 N O4 | P -1 | 9.5501; 11.9607; 13.4618 85.7591; 88.837; 71.1797 | 1451.48 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515857 | CIF | C64 H58 O4 | P 1 21/c 1 | 21.7475; 36.719; 12.9048 90; 95.5386; 90 | 10257 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515858 | CIF | C82 H70 O4 | P 1 21/c 1 | 29.4698; 13.9924; 16.0684 90; 102.496; 90 | 6468.88 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515859 | CIF | C66 H50 O4 | C 1 c 1 | 35.6175; 9.396; 14.925 90; 92.4734; 90 | 4990.2 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515860 | CIF | C52 H50 O4 | P 1 c 1 | 12.9195; 26.1804; 13.8321 90; 114.575; 90 | 4254.73 | Karim, Arif R.; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Symmetry and polar-π effects on the dynamics of enshrouded aryl-alkyne molecular rotors Chemical Science, 2010, 1, 102 |
| 1515861 | CIF | C32 H138 Cu4 F4 N12 O33 | F -4 3 c | 37.295; 37.295; 37.295 90; 90; 90 | 51874 | Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62 |
| 1515862 | CIF | C13 H44 Cu N6 O13 S2 | P -3 c 1 | 28.3688; 28.3688; 12.3891 90; 90; 120 | 8634.8 | Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry Chemical Science, 2010, 1, 62 |
| 1515863 | CIF | C66 H76 F24 N12 O4 P4 | P 1 21/c 1 | 13.8458; 22.974; 13.2064 90; 116.74; 90 | 3751.6 | Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science, 2010, 1, 119 |
| 1515864 | CIF | C36 H32 F24 N4 P4 | P 1 21/c 1 | 7.3165; 13.7561; 20.634 90; 97.195; 90 | 2060.4 | Sue, Chi-Hau; Basu, Subhadeep; Fahrenbach, Albert C.; Shveyd, Alexander K.; Dey, Sanjeev K.; Botros, Youssry Y.; Stoddart, J. Fraser Enabling tetracationic cyclophane production by trading templates Chemical Science, 2010, 1, 119 |
| 1515865 | CIF | C64.5 H58 Cl3 N O8 U | P 1 21/n 1 | 14.258; 18.699; 23.046 90; 106.19; 90 | 5901 | Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science, 2010, 1, 43 |
| 1515866 | CIF | C73 H86 N2 O18 U | C 1 c 1 | 18.534; 19.636; 19.425 90; 97.62; 90 | 7007 | Beer, Stephan; Berryman, Orion B.; Ajami, Dariush; Rebek Jr., Julius Encapsulation of the uranyl dication Chemical Science, 2010, 1, 43 |
| 1515867 | CIF | C71 H50 B F24 Ir N O P | P -1 | 13.9209; 15.6412; 17.1341 104.914; 106.384; 102.47 | 3286.93 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515868 | CIF | C68.95 H68.7 B Cl1.1 F24 Ir N O P | P 21 21 21 | 13.5137; 19.4816; 27.1434 90; 90; 90 | 7146 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515869 | CIF | C72 H74 B F24 Ir N O2 P | C 1 2 1 | 44.28; 12.7293; 25.6592 90; 95.409; 90 | 14398.5 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
| 1515870 | CIF | C77 H56 B F24 Ir N O P | P 1 | 12.8218; 14.836; 18.8757 96.898; 99.557; 95.874 | 3487.6 | Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates Chemical Science, 2010, 1, 72 |
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