Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515539 | CIF | C122 H144 F18 N14 O46 Pd2 S6 | P 1 21/c 1 | 12.0255; 20.4941; 28.0429 90; 93.676; 90 | 6897 | Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M. Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes Chemical Science, 2011, 2, 2407 |
| 1515540 | CIF | C31 H21 F12 N5 P2 | P -1 | 13.067; 14.272; 17.273 67.392; 77.696; 87.835 | 2902 | Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M. Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes Chemical Science, 2011, 2, 2407 |
| 1515541 | CIF | Fe15.631 K8.622 Se20 | I 4/m | 8.7653; 8.7653; 13.8811 90; 90; 90 | 1066.49 | Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B. Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies Chemical Science, 2011, 2, 1054 |
| 1515542 | CIF | Fe15.29 K9.223 Se20 | I 4/m | 8.7788; 8.7788; 13.8604 90; 90; 90 | 1068.18 | Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B. Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies Chemical Science, 2011, 2, 1054 |
| 1515543 | CIF | C48 H64 O8 | P -1 | 12.6286; 13.2786; 14.6898 85.812; 77.077; 67.47 | 2217.5 | Hau, Chun-Kit; Chui, Stephen Sin-Yin; Lu, Wei; Che, Chi-Ming; Cheng, Ping-Shing; Mak, Thomas C. W.; Miao, Qian; Wong, Henry N. C. Thermotropic liquid crystals based on 1,8,9,16-tetrasubstituted tetraphenylenes and their structure–property relationship studies Chemical Science, 2011, 2, 1068 |
| 1515544 | CIF | C48 H110 Cu5 Gd4 N8 O38 | P -1 | 11.05; 13.83; 14.03 78.8; 83.81; 69.28 | 1965.4 | Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Hooper, Thomas; Brechin, Euan K.; Evangelisti, Marco; Murray, Keith S. Molecular coolers: The case for [CuII5GdIII4] Chemical Science, 2011, 2, 1166 |
| 1515545 | CIF | C41 H42 N2 O4 | P 1 21 1 | 11.0978; 10.0421; 15.8898 90; 99.529; 90 | 1746.4 | Li, Jie; Chen, Gang; Wang, Zheng; Zhang, Ruzhou; Zhang, Xumu; Ding, Kuiling Spiro-2,2′-bichroman-based bisoxazoline (SPANbox) ligands for ZnII-catalyzed enantioselective hydroxylation of β-keto esters and 1,3-diester Chemical Science, 2011, 2, 1141 |
| 1515546 | CIF | C12 H18 Br N O2 S | P 1 21 1 | 9.9624; 17.8137; 12.6175 90; 98.264; 90 | 2215.94 | Chuang, Kangway V.; Navarro, Raul; Reisman, Sarah E. Benzoquinone-derived sulfinyl imines as versatile intermediates for alkaloid synthesis: Total synthesis of (–)-3-demethoxyerythratidinone Chemical Science, 2011, 2, 1086 |
| 1515547 | CIF | C27 H26 Cl2 Cr Fe Mn N4 O14 | P 1 21/c 1 | 11.5561; 31.6369; 9.5457 90; 109.984; 90 | 3279.77 | Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover Chemical Science, 2011, 2, 1121 |
| 1515548 | CIF | C27 H26 Cl2 Cr Fe Mn N4 O14 | P 1 21/c 1 | 12.096; 32.135; 9.467 90; 111.981; 90 | 3412 | Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover Chemical Science, 2011, 2, 1121 |
| 1515549 | CIF | C27 H26 Cl2 Cr Fe Mn N4 O14 | P 1 21/c 1 | 11.9215; 31.91; 9.4841 90; 111.535; 90 | 3356 | Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover Chemical Science, 2011, 2, 1121 |
| 1515550 | CIF | C27 H26 Cl2 Cr Fe Mn N4 O14 | P 1 21/c 1 | 11.5602; 31.6268; 9.5237 90; 110.199; 90 | 3267.8 | Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover Chemical Science, 2011, 2, 1121 |
| 1515551 | CIF | C16 H27 Cu F6 N P S3 | P 1 21/c 1 | 15.503; 13.996; 10.645 90; 109.377; 90 | 2178.9 | Chaudhry, Aneese F.; Mandal, Subrata; Hardcastle, Kenneth I.; Fahrni, Christoph J. High-contrast Cu(I)-selective fluorescent probes based on synergistic electronic and conformational switching. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1016-1024 |
| 1515552 | CIF | C32 H28 Cu2 O14 | I 4 3 2 | 30.1892; 30.1892; 30.1892 90; 90; 90 | 27514.1 | Jeong, Kyung Seok; Go, Yong Bok; Shin, Sung Min; Lee, Suk Joong; Kim, Jaheon; Yaghi, Omar M.; Jeong, Nakcheol Asymmetric catalytic reactions by NbO-type chiral metal‒organic frameworks Chemical Science, 2011, 2, 877 |
| 1515553 | CIF | C54 H76 N6 P | C 1 2/c 1 | 63.385; 12.6019; 38.409 90; 98.769; 90 | 30321 | Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals Chemical Science, 2011, 2, 858 |
| 1515554 | CIF | C66 H98 N7 P V | P 1 21/n 1 | 11.516; 22.439; 25.37 90; 98.889; 90 | 6477 | Back, Olivier; Donnadieu, Bruno; von Hopffgarten, Moritz; Klein, Susanne; Tonner, Ralf; Frenking, Gernot; Bertrand, Guy N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals Chemical Science, 2011, 2, 858 |
| 1515555 | CIF | C70 H73 N5 O12 | P -1 | 11.5815; 11.8231; 25.3961 80.0523; 87.1768; 66.4893 | 3140.1 | Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D. Cation-induced molecular motion of spring-like [2]catenanes Chemical Science, 2011, 2, 922 |
| 1515556 | CIF | C96 H102 Cl N5 O20 | P 1 | 11.009; 17.213; 25.06 73.3; 82.6; 79.77 | 4461 | Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D. Cation-induced molecular motion of spring-like [2]catenanes Chemical Science, 2011, 2, 922 |
| 1515557 | CIF | C102 H110 Cl N5 O22 | P 1 21/c 1 | 12.2168; 24.953; 31.028 90; 97.622; 90 | 9375.2 | Leontiev, Alexandre V.; Serpell, Christopher J.; White, Nicholas G.; Beer, Paul D. Cation-induced molecular motion of spring-like [2]catenanes Chemical Science, 2011, 2, 922 |
| 1515558 | CIF | C95 H118 Au N3 Nb O5.5 P S | P 1 21/c 1 | 26.964; 14.146; 24.947 90; 116.938; 90 | 8483 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515559 | CIF | C96 H115 Au N4 Nb O5.5 P | P 1 21/c 1 | 27.017; 14.1228; 24.657 90; 116.11; 90 | 8447.9 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515560 | CIF | C96 H115 Ag N4 Nb O5.5 P | P 1 21/c 1 | 27.086; 14.0697; 24.79 90; 116.396; 90 | 8462.3 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515561 | CIF | C92.5 H122 N3 Nb O5 P Rh | P 1 21/n 1 | 23.3525; 15.0941; 25.0969 90; 115.147; 90 | 8007.8 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515562 | CIF | C96 H115 Cu N4 Nb O5.5 P | P 1 21/c 1 | 27.065; 14.0252; 24.972 90; 116.777; 90 | 8462.7 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515563 | CIF | C105 H138 N3 Na Nb O9 P | R -3 :H | 17.736; 17.736; 51.913 90; 90; 120 | 14142 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515564 | CIF | C74.75 H97 N3 Na Nb O3 P | P 1 21/c 1 | 23.715; 16.1639; 19.4189 90; 107.002; 90 | 7118.5 | Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C. A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes Chemical Science, 2011, 2, 2166 |
| 1515565 | CIF | C34 H61 Fe2 | P -1 | 10.2629; 12.4476; 14.5233 112.514; 91.655; 105.741 | 1631.16 | Walter, Marc D.; Grunenberg, Jörg; White, Peter S. Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation Chemical Science, 2011, 2, 2120 |
| 1515566 | CIF | C34 H62 Fe2 | P 41 21 2 | 9.0398; 9.0398; 40.2263 90; 90; 90 | 3287.21 | Walter, Marc D.; Grunenberg, Jörg; White, Peter S. Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation Chemical Science, 2011, 2, 2120 |
| 1515567 | CIF | C34 H58 Fe2 P4 | P 21 21 21 | 13.3878; 13.7768; 19.6471 90; 90; 90 | 3623.73 | Walter, Marc D.; Grunenberg, Jörg; White, Peter S. Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation Chemical Science, 2011, 2, 2120 |
| 1515568 | CIF | C16 H12 N2 | C 1 2/c 1 | 54.319; 4.7958; 18.476 90; 109.058; 90 | 4549.2 | Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine Chemical Science, 2011, 2, 2178 |
| 1515569 | CIF | C22 H16 N2 | P 1 21/c 1 | 14.9876; 5.6399; 18.1283 90; 94.317; 90 | 1528 | Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine Chemical Science, 2011, 2, 2178 |
| 1515570 | CIF | C15 H10 Br2 N2 | P b c a | 18.7505; 7.0987; 20.0419 90; 90; 90 | 2667.7 | Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine Chemical Science, 2011, 2, 2178 |
| 1515571 | CIF | C16 H12 Br2 N2 | C 1 c 1 | 11.3993; 20.292; 6.8679 90; 116.348; 90 | 1423.6 | Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine Chemical Science, 2011, 2, 2178 |
| 1515572 | CIF | C16 H11 Br N2 | P 21 21 21 | 4.7179; 13.9491; 18.8428 90; 90; 90 | 1240.05 | Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine Chemical Science, 2011, 2, 2178 |
| 1515573 | CIF | C19 H16 N2 O3 | P 1 21/c 1 | 10.4908; 17.614; 9.1784 90; 106.541; 90 | 1625.8 | Tang, Bo-Xiao; Song, Ren-Jie; Wu, Cui-Yan; Wang, Zhi-Qiang; Liu, Yu; Huang, Xiao-Cheng; Xie, Ye-Xiang; Li, Jin-Heng Ruthenium-catalyzed intramolecular carbocyclization of alkynes with an sp3 carbon involving an oxidative deprotonation process Chemical Science, 2011, 2, 2131 |
| 1515574 | CIF | C17 H26 O5 | P 1 21/c 1 | 12.942; 5.7874; 22.755 90; 104.764; 90 | 1648.1 | Robbins, Diane; Newton, Annabella F.; Gignoux, Camille; Legeay, Jean-Christophe; Sinclair, Alex; Rejzek, Martin; Laxon, Carly A.; Yalamanchili, Sai K.; Lewis, William; O'Connell, Maria A.; Stockman, Robert A. Synthesis of natural-product-like scaffolds in unprecedented efficiency via a 12-fold branching pathway Chemical Science, 2011, 2, 2232 |
| 1515575 | CIF | C156 H84 N48 O68 Zn7 | I -4 3 d | 27.1704; 27.1704; 27.1704 90; 90; 90 | 20058 | Qi, Xiao-Lin; Lin, Rui-Biao; Chen, Qing; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming A flexible metal azolate framework with drastic luminescence response toward solvent vapors and carbon dioxide Chemical Science, 2011, 2, 2214 |
| 1515576 | CIF | C21 H22 O2 | P n a 21 | 18.0449; 16.5511; 5.3798 90; 90; 90 | 1606.75 | Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P. Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2115-2119 |
| 1515577 | CIF | C13 H18 F3 N O4 | P 1 21 1 | 9.548; 5.573; 13.512 90; 102.084; 90 | 703.1 | Royzen, Maksim; Taylor, Michael T.; Deangelis, Andrew; Fox, Joseph M. Total Synthesis of Hyacinthacine A2: Stereocontrolled 5-aza-cyclooctene Photoisomerization and Transannular Hydroamination with Planar-to-Point Chirality Transfer. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2162-2165 |
| 1515578 | CIF | C62 H46 Cl4 Fe2 N13 O17.5 | I 41/a c d :2 | 24.217; 24.217; 44.518 90; 90; 90 | 26108 | Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone Chemical Science, 2011, 2, 2187 |
| 1515579 | CIF | C77 H53.25 Cl4 Fe2 N17.5 O18 | P 1 21/c 1 | 28.005; 23.913; 25.973 90; 115.78; 90 | 15663 | Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone Chemical Science, 2011, 2, 2187 |
| 1515580 | CIF | C50 H42 Cl4 Fe2 N10 O21 | P 1 21/n 1 | 19.005; 14.428; 20.463 90; 101.45; 90 | 5499 | Liu, Peng; Liu, Yungen; Wong, Ella Lai-Ming; Xiang, Song; Che, Chi-Ming Iron oligopyridine complexes as efficient catalysts for practical oxidation of arenes, alkanes, tertiary amines and N-acyl cyclic amines with Oxone Chemical Science, 2011, 2, 2187 |
| 1515581 | CIF | C9 H8 O4 | P 1 21/c 1 | 12.1016; 6.4721; 11.3344 90; 111.593; 90 | 825.44 | Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R. Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation Chemical Science, 2011, 2, 2236 |
| 1515582 | CIF | C9 H8 O4 | P 1 21/c 1 | 12.3578; 6.5315; 11.4964 90; 112.436; 90 | 857.69 | Varughese, Sunil; Kiran, M. S. R. N.; Solanko, Katarzyna A.; Bond, Andrew D.; Ramamurty, U.; Desiraju, Gautam R. Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation Chemical Science, 2011, 2, 2236 |
| 1515583 | CIF | C91 H130 B2 Cl2 Cu4 F8 N10 P4 | C 1 2/c 1 | 27.568; 15.989; 25.24 90; 106.726; 90 | 10655 | Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement Chemical Science, 2011, 2, 1509 |
| 1515584 | CIF | C92 H84 B2 Cl4 Cu4 F8 N10 P4 | P 1 21/n 1 | 12.238; 18.531; 20.929 90; 103.246; 90 | 4620.1 | Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement Chemical Science, 2011, 2, 1509 |
| 1515585 | CIF | C38 H34 B Cu F4 N5 P | P -1 | 8.485; 13.769; 15.231 91.11; 100.453; 91.01 | 1749.2 | Chen, Yong; Li, Jun-Li; Tong, Glenna So Ming; Lu, Wei; Fu, Wen-Fu; Lai, Siu-Wai; Che, Chi-Ming Nanostructures of tetranuclear copper(i) complexes with short Cu(i)⋯Cu(i) contacts: crystallization-induced emission enhancement Chemical Science, 2011, 2, 1509 |
| 1515586 | CIF | C45 H62 Li N3 O3 Ti | R -3 :H | 30.849; 30.849; 23.5478 90; 90; 120 | 19407.2 | Silvia, Jared S.; Cummins, Christopher C. Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium Chemical Science, 2011, 2, 1474 |
| 1515587 | CIF | C40 H63 N3 O3 Si Ti | P b c a | 19.9166; 19.1716; 21.779 90; 90; 90 | 8315.9 | Silvia, Jared S.; Cummins, Christopher C. Binding, release, and functionalization of CO2 at a nucleophilic oxo anion complex of titanium Chemical Science, 2011, 2, 1474 |
| 1515588 | CIF | C40 H16 S4 | P -1 | 3.822; 13.266; 13.858 118.434; 93.312; 94.22 | 612.74 | Chiu, Chien-Yang; Kim, Bumjung; Gorodetsky, Alon A.; Sattler, Wesley; Wei, Sujun; Sattler, Aaron; Steigerwald, Michael; Nuckolls, Colin Shape-shifting in contorted dibenzotetrathienocoronenes Chemical Science, 2011, 2, 1480 |
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