Crystallography Open Database
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| 1516510 | CIF | C6 H9 Co N6 O4.5 Pr | C m c m | 7.431; 12.815; 14.298 90; 90; 90 | 1362 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516511 | CIF | C6 H9 Fe N6 O4.5 Pr | C m c m | 7.523; 13.117; 14.476 90; 90; 90 | 1428 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516512 | CIF | C6 H8 Co N6 O4 Sm | C m c m | 7.375; 12.742; 13.653 90; 90; 90 | 1283 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516513 | CIF | C6 H8 Co Eu N6 O4 | C m c m | 7.3394; 12.75; 13.617 90; 90; 90 | 1274.2 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516514 | CIF | C6 H6 Fe Lu N6 Na O3 | C m c m | 7.242; 12.578; 13.361 90; 90; 90 | 1217.1 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516515 | CIF | C6 H8 Fe La Li N6 O4 | P 63/m | 7.2338; 7.2338; 14.2923 90; 90; 120 | 647.69 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516516 | CIF | C6 H6 Fe Li Lu N6 O3 | C m c m | 7.2309; 12.5358; 13.2519 90; 90; 90 | 1201.2 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516530 | CIF | C39 H55 F N3 Nb | P -1 | 10.795; 12.323; 13.68 79.363; 87.377; 88.428 | 1786.3 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516531 | CIF | C39 H53 F2 N3 Nb | P -1 | 10.8194; 12.3148; 13.7249 79.695; 87.396; 88.376 | 1797 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516532 | CIF | C39 H54 F2 N3 Nb | P -1 | 10.9151; 12.301; 13.7072 79.714; 87.243; 88.804 | 1808.6 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516533 | CIF | C39 H52 F4 N3 Nb | P 1 21/c 1 | 12.7898; 11.5223; 24.9612 90; 91.217; 90 | 3677.7 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516534 | CIF | C30 H40 Cl2 Fe2 N6 O18 | P -1 | 11.473; 12.9171; 14.4931 113.07; 100.094; 90.982 | 1936.74 | Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282 |
| 1516535 | CIF | C32 H38 F6 Fe2 N6 O15 S2 | P -1 | 11.5827; 13.4954; 14.5372 114.729; 99.954; 90.485 | 2024.6 | Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O–O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282 |
| 1516536 | CIF | C236 H212 N20 O66 S4 Zn16 | P b a n :2 | 20.78; 34.908; 14.4254 90; 90; 90 | 10464 | Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L. Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF Chemical Science, 2014, 5, 2297 |
| 1516537 | CIF | C40 H60 Cr4 P4 | I -4 | 11.9954; 11.9954; 13.9537 90; 90; 90 | 2007.79 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
| 1516538 | CIF | C30 H45 As2 Cr3 | P b c a | 15.3898; 18.4053; 21.8004 90; 90; 90 | 6175.05 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
| 1516539 | CIF | C18 H24 N3 O6 P Ru | P 1 21/n 1 | 14.595; 9.371; 15.859 90; 114.51; 90 | 1973.6 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516540 | CIF | C21 H31 N4 O5 P Ru | P 1 21/c 1 | 11.58624; 15.39855; 13.23391 90; 98.3744; 90 | 2335.9 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516541 | CIF | C50 H68 N8 O14 P2 Ru2 | P -1 | 9.8881; 12.5811; 12.6829 72.028; 67.58; 67.069 | 1319.4 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516542 | CIF | C50 H62 N8 O11 P2 Ru2 | P -1 | 13.7555; 14.6826; 16.8467 70.736; 76.491; 64.286 | 2877.47 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516543 | CIF | C19 H28 Cl Ir N2 | P 1 21/c 1 | 14.111; 17.412; 15.429 90; 90.833; 90 | 3790.5 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516544 | CIF | C18 H25 Cl Ir N S | P 1 21/n 1 | 7.6461; 8.621; 27.688 90; 92.184; 90 | 1823.8 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516545 | CIF | C24 H29 Cl3 Ir N S | P 1 21/c 1 | 10.73; 14.462; 16.791 90; 104.557; 90 | 2521.9 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516546 | CIF | C22 H29 Cl Ir N | P 1 21/n 1 | 12.207; 25.172; 13.887 90; 108.18; 90 | 4054 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516547 | CIF | C20 H27 Cl Ir N | P 1 21/c 1 | 8.1332; 27.444; 17.333 90; 95.18; 90 | 3853.1 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516548 | CIF | C18 H25 Cl N Rh S | P 1 21/n 1 | 7.5951; 8.5873; 28.051 90; 92.441; 90 | 1827.9 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516549 | CIF | C24 H29 Cl3 N Rh S | P 1 21/c 1 | 10.631; 14.413; 16.681 90; 104.834; 90 | 2470.8 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516550 | CIF | C22 H29 Cl N Rh | P 1 21/n 1 | 12.211; 25.326; 13.879 90; 108.751; 90 | 4064.4 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516551 | CIF | C31 H40 B2 F8 Fe N6 O5 | P -1 | 11.904; 12.224; 13.994 107.153; 110.035; 103.564 | 1695.5 | Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David Spin crossover iron(ii) complexes as PARACEST MRI thermometers Chemical Science, 2014, 5, 2461 |
| 1516552 | CIF | C69.8 H92.54 B2 Cl8 F3.27 Ir N P2 | P 1 21/c 1 | 13.2199; 34.9437; 18.4595 90; 105.914; 90 | 8200.57 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516553 | CIF | C112.5 H163 B2 F25 Ir2 P4 | P 21 2 21 | 16.435; 17.3; 20.951 90; 90; 90 | 5957 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516554 | CIF | C70 H118 B4 Cl8 Ir N3 P2 | P -1 | 12.7377; 12.8491; 25.1406 99.5231; 98.255; 95.4001 | 3986.57 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516555 | CIF | C15 H23 B Mn O3 P | P 63/m | 16.5774; 16.5774; 10.5446 90; 90; 120 | 2509.54 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516556 | CIF | C18 H24 B Mn N2 O2 | P 1 21/c 1 | 24.302; 7.8695; 21.291 90; 115.979; 90 | 3660.4 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516557 | CIF | C18 H24 B Mn N2 O2 | P n a 21 | 21.1662; 7.9276; 21.8218 90; 90; 90 | 3661.6 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516558 | CIF | C18 H23 B Mn N O2 | C 1 2/c 1 | 24.5671; 8.1978; 18.4064 90; 111.169; 90 | 3456.8 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516559 | CIF | C16 H22 B Mn N2 O2 | P 1 21/c 1 | 14.4606; 12.5027; 18.2085 90; 93.815; 90 | 3284.7 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516560 | CIF | C76 H100 B4 Mn4 N8 O8 | P 1 21/c 1 | 15.2676; 8.5852; 15.8554 90; 113.848; 90 | 1900.81 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516561 | CIF | C26 H32 B Mn N2 O3 | P n m a | 13.024; 9.225; 19.975 90; 90; 90 | 2400 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516562 | CIF | C15 H29 B N2 | P b c a | 14.3661; 12.0848; 18.962 90; 90; 90 | 3292 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516563 | CIF | C14 H12 F N O2 | P 1 21/c 1 | 17.7553; 4.9562; 13.1145 90; 95.52; 90 | 1148.71 | Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427 |
| 1516564 | CIF | C20 H15 F5 N2 O3 | R -3 :H | 24.8585; 24.8585; 16.8633 90; 90; 120 | 9024.5 | Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427 |
| 1516565 | CIF | C52 H70 N O4 P | P 21 21 21 | 13.3371; 19.9237; 34.7236 90; 90; 90 | 9226.9 | Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277 |
| 1516566 | CIF | C60 H69 B Cl2 F4 N O4 P Pd | P 21 21 21 | 12.2225; 20.8872; 21.6966 90; 90; 90 | 5539.01 | Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277 |
| 1516567 | CIF | C22 H18 N4 O12 Zn2 | P b a n | 16.2647; 14.5206; 9.6475 90; 90; 90 | 2278.48 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516568 | CIF | C22 H18 N4 O12 Zn2 | I 4/m c m | 15.25553; 15.25553; 19.3129 90; 90; 90 | 4494.71 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516569 | CIF | C22 H18 N4 O12 Zn2 | P 4/m m m | 10.94325; 10.94325; 9.67577 90; 90; 90 | 1158.72 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516570 | CIF | C22 H18 N4 O12 Zn2 | P 4/m m m | 10.90313; 10.90313; 9.649 90; 90; 90 | 1147.06 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516571 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.0609; 15.0609; 19.2433 90; 90; 90 | 4365 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516572 | CIF | C30 H24 N2 O8 Zn2 | P 4/m b m | 15.4195; 15.4195; 9.6416 90; 90; 90 | 2292.4 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516573 | CIF | C22 H18 Br2 N2 O8 Zn2 | P b a n | 16.3684; 14.4237; 9.6406 90; 90; 90 | 2276.08 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516588 | CIF | C47 H73 N Si Th | P b c a | 10.4251; 20.765; 44.289 90; 90; 90 | 9587.6 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516589 | CIF | C53 H75 N Si Th | P 1 21/c 1 | 16.578; 16.572; 17.515 90; 97.936; 90 | 4765.8 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516590 | CIF | C54 H87 N3 Th | P -1 | 10.436; 15.509; 20.314 92.787; 92.25; 109.072 | 3098.4 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516591 | CIF | C50 H62 Cl2 N8 O6 Zn2 | P -1 | 13.4923; 13.5958; 15.0327 108.107; 104.82; 90.868 | 2520.35 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516592 | CIF | C118 H116 Co4 N16 O13 | P -1 | 11.7828; 14.8129; 17.4408 94.041; 107.638; 95.432 | 2872.13 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516593 | CIF | C50 H62 Cl2 N8 Ni2 O6 | P -1 | 12.0189; 14.7702; 14.7768 107.972; 96.642; 95.331 | 2455.4 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516594 | CIF | C26 H28 N4 O | C 1 2/c 1 | 30.8673; 14.8514; 10.3727 90; 94.543; 90 | 4740.14 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516597 | CIF | C30 H25 Br N2 O3 S | P -1 | 10.8564; 14.3921; 18.5751 77.707; 84.454; 69.815 | 2660.74 | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057 |
| 1516598 | CIF | C29 H27 Br N2 O3 S | P 1 21/n 1 | 12.621; 9.6352; 21.5566 90; 94.967; 90 | 2611.6 | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057 |
| 1516599 | CIF | C24 H72 Cl2 In2 N4 Si8 | P -1 | 8.9952; 12.0644; 23.969 80.621; 83.006; 66.929 | 2356.3 | Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation Chem. Sci., 2014, 5, 3958 |
| 1516666 | CIF | C5 I O5 Re | C m c m | 7.6549; 11.1028; 10.9893 90; 90; 90 | 933.99 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516667 | CIF | C5 Br Mn O5 | P n m a | 11.7723; 11.5071; 6.1089 90; 90; 90 | 827.54 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516668 | CIF | C28 H19 N5 O6 Re2 | P 1 21/n 1 | 12.6739; 11.2202; 19.9289 90; 104.719; 90 | 2741 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516669 | CIF | C40 H50 S Si2 | P -1 | 8.3989; 12.4017; 17.7936 88.626; 88.89; 81.912 | 1834.2 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516670 | CIF | C42 H50 S2 Si2 | P -1 | 7.4177; 14.5332; 18.922 73.889; 84.135; 78.229 | 1916.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516671 | CIF | C34 H38 S Si2 | P -1 | 7.0866; 16.2124; 26.849 85.812; 84.502; 77.978 | 2998.7 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516672 | CIF | C44 H50 S3 Si2 | P -1 | 7.5217; 14.0563; 20.336 73.188; 81.718; 82.685 | 2028.4 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516673 | CIF | C18 H8 O2 S | P c a 21 | 15.913; 11.398; 6.921 90; 90; 90 | 1255.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516674 | CIF | C20 H8 O2 S2 | P 1 21/c 1 | 12.983; 3.9148; 14.969 90; 111.93; 90 | 705.8 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516675 | CIF | C28 H33 Fe N4 O3 S | P 1 21/c 1 | 27.927; 8.0895; 38.227 90; 98.822; 90 | 8534 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516676 | CIF | C31 H39 Fe N4 O2 S | P 1 21/c 1 | 16.745; 8.1442; 22.278 90; 93.72; 90 | 3031.8 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516677 | CIF | C27 H30 Cl Fe N4 O2 S | P 1 21/n 1 | 12.028; 14.71; 16.167 90; 104.944; 90 | 2763.7 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516678 | CIF | C27 H30 Fe N5 O4 S | P 1 21/c 1 | 15.596; 7.9152; 23.348 90; 107.772; 90 | 2744.7 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516679 | CIF | C70 H98 Mg O13 Zn2 | P 43 21 2 | 12.1808; 12.1808; 44.474 90; 90; 90 | 6598.7 | Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg–Zn hybrid chemistry: Zn–I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science, 2014, 5, 3552 |
| 1516680 | CIF | C34 H48 Cl I Mg N2 O5 Zn | P 1 21/c 1 | 16.1212; 9.5045; 24.1563 90; 98.132; 90 | 3664.1 | Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science, 2014, 5, 3552 |
| 1516681 | CIF | C91.81 H109.81 Cl6.44 Cu F N4 O10 | P -1 | 17.7109; 28.5979; 31.0744 67.271; 79.167; 84.672 | 14254.5 | Brugnara, Andrea; Topić, Filip; Rissanen, Kari; Lande, Aurélien de la; Colasson, Benoit; Reinaud, Olivia Selective recognition of fluoride anion in water by a copper(ii) center embedded in a hydrophobic cavity Chemical Science, 2014, 5, 3897 |
| 1516716 | CIF | C68 H44 Ir2 N8 O9 Y | P -1 | 9.059; 15.197; 23.751 73.595; 88.406; 81.684 | 3103 | Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer Chemical Science, 2014, 5, 3808 |
| 1516717 | CIF | C30 H24 N2 O | P 1 21/n 1 | 11.0962; 21.8; 19.774 90; 105.379; 90 | 4612 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516718 | CIF | C33 H28 N2 O2 | P b c a | 12.859; 15.737; 25.688 90; 90; 90 | 5198 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516719 | CIF | C29 H20.6667 N2 O0.3333 | P 1 21/n 1 | 19.548; 18.292; 21.819 90; 108.996; 90 | 7377 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516720 | CIF | C33 H28 N2 O2 | P b c a | 12.852; 15.692; 25.641 90; 90; 90 | 5171 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516768 | CIF | C40 H32 Cl F12 N5 S4 | P -1 | 8.0301; 16.9861; 17.595 64.243; 80.825; 77.765 | 2106.2 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516769 | CIF | C34 H50 N2 O3 S | P -1 | 11.0175; 12.8086; 12.9025 91.871; 113.774; 96.73 | 1648.39 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516770 | CIF | C18 H18 N2 O S3 | P 1 21/n 1 | 8.0488; 11.6233; 19.2104 90; 90.883; 90 | 1796.99 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516771 | CIF | C36 H56 N2 O2 S4 | P 1 21/c 1 | 18.2073; 11.9379; 19.5492 90; 115.355; 90 | 3839.8 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516783 | CIF | C61 H51 N7 O6 | P -1 | 9.6372; 13.2613; 20.4245 79.8271; 76.8586; 86.464 | 2501.34 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516784 | CIF | C51 H45 N5 O6 | P 1 21/n 1 | 11.64397; 24.31232; 15.4118 90; 104.526; 90 | 4223.49 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516785 | CIF | C31 H19 N3 O2 | P 1 21/c 1 | 30.3556; 5.611; 13.1495 90; 92.9605; 90 | 2236.7 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516786 | CIF | C72 H61 F12 Fe N7 O6 P2 | P -1 | 14.2809; 15.6419; 17.7181 100.41; 107.925; 94.131 | 3669.16 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516787 | CIF | C76 H67 F12 N9 O6 P2 Ru | P -1 | 14.138; 14.332; 19.077 91.222; 108.825; 93.257 | 3650 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516788 | CIF | C78 H66 F12 N12 O5 P2 Zn | P -1 | 14.38087; 14.4368; 19.8 96.8363; 107.786; 91.1601 | 3879.48 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516789 | CIF | C47 H37 N5 O4 | C 1 2/c 1 | 32.6617; 8.8705; 25.8704 90; 93.738; 90 | 7479.4 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516790 | CIF | C142 H107 Ag2 F36 Fe2 N33 O8 P6 | P -1 | 17.3266; 21.9786; 23.2172 99.59; 108.832; 107.228 | 7649.13 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516791 | CIF | C69 H50.5 Cu F18 Fe N15.5 O4 P3 | P -1 | 14.9414; 15.3956; 18.3235 94.4451; 91.636; 113.008 | 3860.05 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516792 | CIF | C34 H26 I2 N2 O8 | P -1 | 6.6274; 9.4654; 12.3549 82.12; 80.651; 79.408 | 747.1 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516793 | CIF | C28 H28 Br2 N4 O8 | P 1 21/c 1 | 6.7598; 22.6656; 9.1153 90; 101.623; 90 | 1367.96 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516794 | CIF | C28 H28 Cl2 N4 O8 | P 1 21/c 1 | 6.6819; 22.978; 8.8554 90; 101.576; 90 | 1331.97 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516795 | CIF | C15 H13 I2 N3 O6 | P -1 | 7.2221; 9.4868; 13.2822 93.245; 102.205; 99.769 | 872.51 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516796 | CIF | C10 H2 Br2 N2 O4 | P 1 21/c 1 | 7.3668; 5.4181; 12.525 90; 92.257; 90 | 499.54 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
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