Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1518905 | CIF | C32 H22 O2 | P -1 | 4.03807; 9.6563; 14.1332 78.7; 86.786; 84.501 | 537.53 | Niu, Caixia; Liu, Qiuling; Shang, Zhehai; Zhao, Liu; Ouyang, Jin Dual-emission fluorescent sensor based on AIE organic nanoparticles and Au nanoclusters for the detection of mercury and melamine. Nanoscale, 2015, 7, 8457-8465 |
| 1518972 | CIF | C252 H312 Ag37 F18 O24 S28 | I 41/a c d | 32.6712; 32.6712; 76.823 90; 90; 90 | 82001 | Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster. Nanoscale, 2015, 7, 8284-8288 |
| 1519452 | CIF | C20 H18 Cl2 Cu N4 O | P 1 21/c 1 | 11.3306; 14.0417; 13.3887 90; 106.842; 90 | 2038.79 | Qin, Qi-Pin; Liu, Yan-Cheng; Wang, Hai-Lu; Qin, Jiao-Lan; Cheng, Feng-Jie; Tang, Shang-Feng; Liang, Hong Synthesis and antitumor mechanisms of a copper(ii) complex of anthracene-9-imidazoline hydrazone (9-AIH). Metallomics : integrated biometal science, 2015, 7, 1124-1136 |
| 1519497 | CIF | C46 H58 N4 O3 | P 1 21/c 1 | 17.313; 24.678; 9.5642 90; 105.015; 90 | 3946.8 | Molla, Habib Ali; Bhowmick, Rahul; Katarkar, Atul; Chaudhuri, Keya; Gangopadhyay, Sumana; Ali, Mahammad A novel rhodamine-3,4-dihydro-2H-1,3-benzoxazine conjugate as a highly sensitive and selective chemosensor for Fe3+ions with cytoplasmic cell imaging possibilities Anal. Methods, 2015, 7, 5149 |
| 1520053 | CIF | C6 H24 I8 N2 O2 Pb3 S2 | C m c 21 | 4.6212; 27.484; 26.923 90; 90; 90 | 3419.5 | Rong, Yaoguang; Tang, Zhongjia; Zhao, Yufeng; Zhong, Xin; Venkatesan, Swaminathan; Graham, Harrison; Patton, Matthew; Jing, Yan; Guloy, Arnold M.; Yao, Yan Solvent engineering towards controlled grain growth in perovskite planar heterojunction solar cells. Nanoscale, 2015, 7, 10595-10599 |
| 1520105 | CIF | C72 H80 N4 O18 | P -1 | 12.6007; 16.0006; 17.3353 106.074; 101.073; 92.406 | 3279.14 | Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb A molecular shuttle that operates inside a metal-organic framework Nature Chemistry, 2015, 7, 514-519 |
| 1520106 | CIF | C224 H273 B3 F12 N12 O66 Zn8 | R 3 2 :H | 33.03; 33.03; 28.099 90; 90; 120 | 26548 | Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb A molecular shuttle that operates inside a metal-organic framework Nature Chemistry, 2015, 7, 514-519 |
| 1520546 | CIF | S3 Ti | P 1 21/m 1 | 4.9476; 3.3787; 8.7479 90; 97.617; 90 | 144.944 | Lipatov, Alexey; Wilson, Peter M.; Shekhirev, Mikhail; Teeter, Jacob D.; Netusil, Ross; Sinitskii, Alexander Few-layered titanium trisulfide (TiS3) field-effect transistors. Nanoscale, 2015, 7, 12291-12296 |
| 1522226 | CIF | Ni6.5 Ta6.5 | R -3 m :H | 4.921; 4.921; 26.905 90; 90; 120 | 564.248 | Kripyakevich, P.I.; Gladyshevskii, E.I.; Pylaeva, E.N. Compounds of the W6 Fe7 type in the Ta-Ni and Nb-Ni systems Kristallografiya, 1962, 7, 212-216 |
| 1522598 | CIF | Ag0.95 Dy0.05 | F m -3 m | 4.091; 4.091; 4.091 90; 90; 90 | 68.468 | Ning, Y.; Zhou, X.; Dai, H. Metastable extension of solid solubitity if heavy RE in Ag Chinese Journal of Metal Science and Technology, 1991, 7, 391-398 |
| 1522725 | CIF | Ga0.071 Sn0.929 | I 41/a m d :1 | 5.784; 5.784; 3.168 90; 90; 90 | 105.984 | Predel, B. Zustandsdiagramm und Eigenschaften von Gallium-Zinn-Legierungen Journal of the Less-Common Metals, 1964, 7, 347-355 |
| 1523026 | CIF | Os Re | P 63/m m c | 2.73; 2.73; 4.35 90; 90; 120 | 28.077 | Tylkina, M.A.; Savitskii, E.M.; Polyakova, V.P. Equilibrium diagram of the Os-Re system Zhurnal Neorganicheskoi Khimii, 1962, 7, 1469-1470 |
| 1523027 | CIF | Pd0.88 Re0.12 | F m -3 m | 3.66; 3.66; 3.66 90; 90; 90 | 49.028 | Tylkina, M.A.; Savitskii, E.M.; Tsyganova, V.P. Equilibrium diagrams of alloys of rhenium with platinum group metals (Rh, Pd, Ir) Zhurnal Neorganicheskoi Khimii, 1962, 7, 1917-1927 |
| 1523028 | CIF | Re0.1 Rh0.9 | F m -3 m | 3.66; 3.66; 3.66 90; 90; 90 | 49.028 | Tylkina, M.A.; Tsyganova, I.A.; Savitskii, E.M. Equilibrium diagrams of alloys of rhenium with platinum- group metals (Rh, Pd, Ir) Zhurnal Neorganicheskoi Khimii, 1962, 7, 1917-1927 |
| 1523029 | CIF | Ir0.73 Re0.27 | F m -3 m | 3.66; 3.66; 3.66 90; 90; 90 | 49.028 | Tylkina, M.A.; Tsyganova, I.A.; Savitskii, E.M. Equilibrium diagrams of alloys of rhenium with platinum group metals (Rh, Pd, Ir) Zhurnal Neorganicheskoi Khimii, 1962, 7, 1917-1927 |
| 1523366 | CIF | Fe2 Yb | F d -3 m :1 | 7.239; 7.239; 7.239 90; 90; 90 | 379.346 | Cannon, J.F.; Robertson, D.L.; Hall, H.T. Synthesis of lanthanide-iron Laves phases at high pressures and temperatures Materials Research Bulletin, 1972, 7, 5-12 |
| 1523375 | CIF | Mo1.08 Ni2.92 | F m -3 m | 3.6373; 3.6373; 3.6373 90; 90; 90 | 48.121 | Casselton, R.E.W.; Hume-Rothery, W. The equilibrium diagram of the system Mo-Ni Journal of the Less-Common Metals, 1964, 7, 212-221 |
| 1523376 | CIF | Mo0.984 Ni0.016 | I m -3 m | 3.1441; 3.1441; 3.1441 90; 90; 90 | 31.081 | Casselton, R.E.W.; Hume-Rothery, W. The equilibrium diagram of the system Mo-Ni Journal of the Less-Common Metals, 1964, 7, 212-221 |
| 1523420 | CIF | Fe0.14 Pt0.86 | F m -3 m | 3.896; 3.896; 3.896 90; 90; 90 | 59.137 | Crangle, J.; Shaw, J.A. The range of stability of the superlattice Pt3 Fe Philosophical Magazine, Serie 8(1956-), 1962, 7, 207-212 |
| 1523530 | CIF | Li1.66 P Sn0.34 | F m -3 m | 5.97; 5.97; 5.97 90; 90; 90 | 212.776 | El Maslout, A.; Motte, J.P.; Gleitzer, C. Phosphures ternaires de lithium Li2n-3 M Pn-1 (M= Be, Cd, Sn) de structure antifluorine ou derivee Journal of Solid State Chemistry, 1973, 7, 250-254 |
| 1523562 | CIF | Lu Pd3 | P m -3 m | 4.029; 4.029; 4.029 90; 90; 90 | 65.402 | Erdman, B.; Keller, C. Actinide(lanthinide)-noble metal alloy phases , preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523563 | CIF | Lu Pt3 | P m -3 m | 4.027; 4.027; 4.027 90; 90; 90 | 65.305 | Erdman, B.; Keller, C. Actinide(lanthinide)-noble metal alloy phases , preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523564 | CIF | Nd Pd3 | P m -3 m | 4.12; 4.12; 4.12 90; 90; 90 | 69.935 | Erdman, B.; Keller, C. Actinide(lanthanide) - noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523565 | CIF | Np Rh3 | P m -3 m | 4.034; 4.034; 4.034 90; 90; 90 | 65.646 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523566 | CIF | Pa Rh3 | P m -3 m | 4.037; 4.037; 4.037 90; 90; 90 | 65.792 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523567 | CIF | Pd3 Pu | P m -3 m | 4.095; 4.095; 4.095 90; 90; 90 | 68.669 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523568 | CIF | Pd3 Sc | P m -3 m | 3.969; 3.969; 3.969 90; 90; 90 | 62.524 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523569 | CIF | Pd3 Y | P m -3 m | 4.061; 4.061; 4.061 90; 90; 90 | 66.973 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523570 | CIF | Pt3 Pu | P m -3 m | 4.105; 4.105; 4.105 90; 90; 90 | 69.173 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523571 | CIF | Pt3 Tm | P m -3 m | 4.04; 4.04; 4.04 90; 90; 90 | 65.939 | Erdman, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523572 | CIF | Pu Rh3 | P m -3 m | 4.042; 4.042; 4.042 90; 90; 90 | 66.037 | Erdman, B.; Keller, C. Noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523573 | CIF | Rh3 Sc | P m -3 m | 3.909; 3.909; 3.909 90; 90; 90 | 59.731 | Erdman, B.; Keller, C. Actinide(lanthanide)- noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523574 | CIF | Ir2 Np | F d -3 m :1 | 7.483; 7.483; 7.483 90; 90; 90 | 419.013 | Erdman, B.; Keller, C. Actinide (lanthanide) - noble metal alloy phases. Preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523575 | CIF | Ir3 Pa | P m -3 m | 4.047; 4.047; 4.047 90; 90; 90 | 66.283 | Erdman, B.; Keller, C. Actinide (lanthanide) - noble metal alloy phases. Preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523576 | CIF | Ir2 Pu | F d -3 m :1 | 7.518; 7.518; 7.518 90; 90; 90 | 424.92 | Erdman, B.; Keller, C. Actinide (lanthanide) - noble metal alloy phases. Preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523577 | CIF | Ir3 U | P m -3 m | 4.037; 4.037; 4.037 90; 90; 90 | 65.792 | Erdman, B.; Keller, C. Actinide (lanthanide) - noble metal alloy phases. Preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523578 | CIF | La Pt2 | F d -3 m :1 | 7.781; 7.781; 7.781 90; 90; 90 | 471.093 | Erdman, B.; Keller, C. Noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1523777 | CIF | La0.307 Y0.693 | P 63/m m c | 3.7021; 3.7021; 5.8437 90; 90; 120 | 69.361 | Harris, I.R.; Raynor, G.V. The constitution of ytrrium-cerium and yttrium-lanthanum alloys, with special reference to lattice spacings Journal of the Less-Common Metals, 1964, 7, 1-10 |
| 1523848 | CIF | Nb0.25 Ru0.75 | P 63/m m c | 2.75; 2.75; 4.418 90; 90; 120 | 28.935 | Hurley, G.F.; Brophy, J.H. A constitution diagram for the niobium-ruthenium system above 1100 degree C Journal of the Less-Common Metals, 1964, 7, 267-277 |
| 1524045 | CIF | Cu2.5 Eu Ni2.5 | P 6/m m m | 5.001; 5.001; 4.034 90; 90; 120 | 87.374 | Bauminger, E.R.; Felner, I.; Ofer, S. Mixed valences of Eu in intermetallic compounds with the Ca Cu5 structure Journal of Magnetism and Magnetic Materials, 1978, 7, 317-325 |
| 1524046 | CIF | Eu Ni2.5 Zn2.5 | P 6/m m m | 5.156; 5.156; 4.092 90; 90; 120 | 94.209 | Bauminger, E.R.; Felner, I.; Ofer, S. Mixed valencies of Eu in intermetallic compounds with the Ca Cu5 structure Journal of Magnetism and Magnetic Materials, 1978, 7, 317-325 |
| 1524047 | CIF | Eu Zn5 | P 6/m m m | 5.437; 5.437; 4.316 90; 90; 120 | 110.492 | Bauminger, E.R.; Ofer, S.; Felner, I. Mixed valencies of Eu in intermetallic compounds with the Ca Cu5 structure Journal of Magnetism and Magnetic Materials, 1978, 7, 317-325 |
| 1524304 | CIF | Cd Li2 Mg P2 | F m -3 m | 6.052; 6.052; 6.052 90; 90; 90 | 221.665 | El Maslout, A.; Motte, J.P.; Gleitzer, C. Phosphures ternaires de lithium Li2n-2 M Pn-1 (M= Be, Cd, Sn) de structure antifluorine ou derive Journal of Solid State Chemistry, 1973, 7, 250-254 |
| 1524324 | CIF | Er Pt3 | P m -3 m | 4.052; 4.052; 4.052 90; 90; 90 | 66.529 | Erdman, B.; Keller, C. Actinide (lanthanide) - noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1524325 | CIF | Cm Ir2 | F d -3 m :1 | 7.561; 7.561; 7.561 90; 90; 90 | 432.253 | Erdman, B.; Keller, C. Actinide (lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1524326 | CIF | Cm Pd3 | P m -3 m | 4.147; 4.147; 4.147 90; 90; 90 | 71.318 | Erdman, B.; Keller, C. Actinide (lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1524327 | CIF | Cm Pt2 | F d -3 m :1 | 7.625; 7.625; 7.625 90; 90; 90 | 443.322 | Erdman, B.; Keller, C. Actinide (lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1524328 | CIF | Eu Pt2 | F d -3 m :1 | 7.641; 7.641; 7.641 90; 90; 90 | 446.119 | Erdmann, B.; Keller, C. Actinide (lanthanide) - noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1524904 | CIF | Er Ni1.76 Si0.24 | F d -3 m :1 | 7.22; 7.22; 7.22 90; 90; 90 | 376.367 | Mayer, I.; Felner, I. Structure of ternary rare earth-transition metal silicides of the Ln Mx Si2-x type Journal of Solid State Chemistry, 1973, 7, 292-296 |
| 1525161 | CIF | Co2 La | F d -3 m :1 | 7.449; 7.449; 7.449 90; 90; 90 | 413.327 | Robertson, D.L.; Cannon, J.F.; Hall, H.T. High-pressure and high-temperature synthesis of La Co2 Materials Research Bulletin, 1972, 7, 977-982 |
| 1525545 | CIF | F4 Fe Rb | P c a m | 7.615; 6.245; 7.62 90; 90; 90 | 362.374 | Abrahams, S.C.; Bernstein, J.L. Ferroelastic effect in Rb Fe F4 and Cs Fe F4 Materials Research Bulletin, 1972, 7, 715-720 |
| 1525685 | CIF | Al2 Mo0.344 O5 Ti0.656 | B b m m | 9.4778; 9.7728; 3.6299 90; 90; 90 | 336.218 | Biswas, S.K.; Datta, T.K.; Chowdury, D.A.; Alamgir, M. Synthesis and X-ray diffraction study of Al2 Ti0.656 Mo0.344 O5 Nuclear Science and Applications, 1998, 7, 33-37 |
| 1525725 | CIF | Be2 F7 Li Na2 | P -4 21 m | 7.593; 7.593; 4.841 90; 90; 90 | 279.101 | Brunton, G. The crystal structure of Na2 Li Be2 F7 Materials Research Bulletin, 1972, 7, 641-646 |
| 1525806 | CIF | Be F4 H4 Li N | P c a 21 | 9.022; 5.288; 8.623 90; 90; 90 | 411.389 | Chung, S.J.; Hahn, T. Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4 Materials Research Bulletin, 1972, 7, 1209-1218 |
| 1525808 | CIF | Be Cs F4 Li | P 1 1 21/n | 9.306; 5.383; 8.738 90; 90; 89.75 | 437.719 | Chung, S.J.; Hahn, T. Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4 Materials Research Bulletin, 1972, 7, 1209-1218 |
| 1525844 | CIF | Bi2 O6.8 Rh2 | F d -3 m :2 | 10.238; 10.238; 10.238 90; 90; 90 | 1073.11 | Longo, J.M.; Raccah, P.M.; Kafalas, J.A.; Pierce, J.W. Preparation and structure of a pyrochlore and perovskite in the Bi Rh O3+x system Materials Research Bulletin, 1972, 7, 137-146 |
| 1526043 | CIF | Bi12 Cl14 | P n n m | 23.067; 14.992; 8.772 90; 90; 90 | 3033.54 | Friedman, R.M.; Corbett, J.D. On the synthesis and crystal structure of dodecabismuth tetradecachloride, Bi12 Cl14 Inorganica Chimica Acta, 1973, 7, 525-527 |
| 1526205 | CIF | C12 H30 Cr2 Mn3 N12 O15 | F m -3 m | 10.761; 10.761; 10.761 90; 90; 90 | 1246.11 | Guedel, H.U.; Ludi, A.; Stucki, H. The crystal structure of manganese(II) hexacyanochromate(III), Mn3 (Cr (C N)6)2 (H2 O)x Inorganica Chimica Acta, 1973, 7, 121-124 |
| 1526683 | CIF | W | P -4 21 m | 12.205; 12.205; 3.774 90; 90; 90 | 562.183 | Steadman, R. On the structure of tetragonal Tin-Tungsten bronzes Materials Research Bulletin, 1972, 7, 1143-1150 |
| 1527082 | CIF | W | P 1 21/a 1 | 7.285; 7.517; 3.835 90; 90; 90 | 210.01 | Andersson, G. On the crystal structure of tungsten trioxide Acta Chemica Scandinavica (1-27,1973-42,1988), 1953, 7, 154-158 |
| 1527100 | CIF | Ca0.5 Na O16 V6 | P 1 21/m 1 | 12.28; 3.6; 8 90; 96.25; 90 | 351.562 | Bachmann, H.G.; Barnes, W.H. The crystal structure of a sodium-calcium variety of Metahewettite Canadian Mineralogist, 1962, 7, 219-235 |
| 1527199 | CIF | Be O4 Y2 | P n a m | 10.4; 9.8989; 3.5315 90; 90; 90 | 363.563 | Buerger, M.J.; Venkatakrishnan, V. Crystals with the Warwickite structure Materials Research Bulletin, 1972, 7, 1201-1208 |
| 1527228 | CIF | Cu9 In4 | P -4 3 m | 9.097; 9.097; 9.097 90; 90; 90 | 752.826 | Che Guangcan; Ellner, M. Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4 (h) and Cu2 In (h) Powder Diffraction, 1992, 7, 107-108 |
| 1527314 | CIF | As F4 H2 K O2 | C 1 2/c 1 | 4.8; 16.15; 6.32 90; 97; 90 | 486.275 | Dunken, H.; Haase, W.; Schöunherr, F. Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; die Kristallstruktur von Kaliumdihydroxotetrafluoroarsenat Zeitschrift für Chemie, 1967, 7, 399-400 |
| 1527315 | CIF | As K | P b c n | 28.3; 11.39; 9.51 90; 90; 90 | 3065.43 | Dunken, H.; Haase, W.; Schöunherr, F. Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; zur Kristallstruktur von Kaliummonohydroxopentafluoroarsenat Zeitschrift für Chemie, 1967, 7, 442-443 |
| 1527567 | CIF | Ba Cu4 S3 | P n m a | 10.7686; 4.0348; 13.2805 90; 90; 90 | 577.026 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. The crystal structures and phase transition of alpha and beta Ba Cu4 S3 Materials Research Bulletin, 1972, 7, 1247-1258 |
| 1527568 | CIF | Ba Cu4 S3 | C m c m | 4.0584; 13.8637; 10.3733 90; 90; 90 | 583.648 | Iglesias, J.E.; Pachali, K.E.; Steinfink, H. The crystal structures and phase transition of alpha and beta Ba Cu4 S3 Materials Research Bulletin, 1972, 7, 1247-1258 |
| 1527863 | CIF | As Cu2 | P 4/n m m :1 | 3.788; 3.788; 5.942 90; 90; 90 | 85.261 | Naud, J.; Priest, P. Contribution a l'etude du systeme cuivre-arsenic Materials Research Bulletin, 1972, 7, 783-792 |
| 1528245 | CIF | B2 Ca H8 O8 | P b a n :2 | 13.64; 7.68; 5.99 90; 90; 90 | 627.484 | Zeigan, D. Zur Struktur einer neuen Modifikation von Calcium (1:1:4)-borathydrat Zeitschrift für Chemie, 1967, 7, 241-242 |
| 1528438 | CIF | C7 H12 Cu2 N4 S3 | P 42 c m | 11.164; 11.164; 10.638 90; 90; 90 | 1325.87 | Dilshad, R.; Klepp, K.O.; Boller, H. [Me4 N] [Cu2 (N C S)3] a compound having a framework structure with large channels Solid State Sciences, 2005, 7, 1230-1235 |
| 1528715 | CIF | C Cs N S | P n m a | 7.978; 6.332; 8.332 90; 90; 90 | 420.905 | Manolatos, S.; Tillinger, M.; Post, B. Polymorphism in cesium thiocyanate Journal of Solid State Chemistry, 1973, 7, 31-35 |
| 1528818 | CIF | Cu6.78 O18.78 V6 | R -3 :H | 12.857; 12.857; 7.161 90; 90; 120 | 1025.14 | Rea, J.R.; Kostiner, E. The crystal structure of alpha-copper vanadate Journal of Solid State Chemistry, 1973, 7, 17-24 |
| 1528834 | CIF | C H6 F6 N3 Ta | R -3 m :H | 8.6475; 8.6475; 8.507 90; 90; 120 | 550.92 | Saada, M.A.; Hemon-Ribaud, A.; Leblanc, M.; Maisonneuve, V. Anion and cation disorder in [C N3 H6].(Ta F6) Solid State Sciences, 2005, 7, 1070-1073 |
| 1528964 | CIF | C4 Rh Sc3 | I m m m | 3.3684; 4.4762; 12.26 90; 90; 90 | 184.852 | Vogt, C.; Hoffmann, R.D.; Poettgen, R. The superstructure of Sc3 Rh C4 and Sc3 Ir C4 Solid State Sciences, 2005, 7, 1003-1009 |
| 1528965 | CIF | C4 Ir Sc3 | I m m m | 3.3966; 4.4525; 12.2424 90; 90; 90 | 185.146 | Vogt, C.; Hoffmann, R.D.; Poettgen, R. The superstructure of Sc3 Rh C4 and Sc3 Ir C4 Solid State Sciences, 2005, 7, 1003-1009 |
| 1529100 | CIF | O1.95 Sc0.1 Zr0.9 | P 42/n m c :1 | 3.64; 3.64; 5.27 90; 90; 90 | 69.825 | Barker, W.W.; Garrett, W.; Bailey, F.P. A High-Temperature Neutron Diffraction Study of Pure and Scandia-Stabilized Zirconia Journal of Solid State Chemistry, 1973, 7, 448-453 |
| 1529101 | CIF | O1.893 Sc0.214 Zr0.786 | F m -3 m | 5.27; 5.27; 5.27 90; 90; 90 | 146.363 | Barker, W.W.; Bailey, F.P.; Garrett, W. A high-temperature neutron diffraction study of pure and scandia-stabilized zirconia Journal of Solid State Chemistry, 1973, 7, 448-453 |
| 1529633 | CIF | La10 O0.45 S14.55 | I 41/a c d :2 | 15.36; 15.36; 20.41 90; 90; 90 | 4815.32 | Besancon, P. Teneur en oxygene et formule exacte d'une famile de composes habituellement appeles - variete beta - ou - phase complexe des sulfures de terres rares Journal of Solid State Chemistry, 1973, 7, 232-240 |
| 1529962 | CIF | Nb2 O17 Zr6 | I m a 2 | 40.92; 4.93; 5.27 90; 90; 90 | 1063.15 | Galy, J.; Roth, R.S. The crystal structure of Nb2 Zr6 O17 Journal of Solid State Chemistry, 1973, 7, 277-285 |
| 1529968 | CIF | Ca Li2 O4 Si | I -4 2 m | 5.047; 5.047; 6.486 90; 90; 90 | 165.213 | Gard, J.A.; West, A.R. Preparation and crystal structure of Li2 Ca Si O4 and isostructural Li2 Ca Ge O4 Journal of Solid State Chemistry, 1973, 7, 422-427 |
| 1529969 | CIF | Ca Ge Li2 O4 | I -4 2 m | 5.141; 5.141; 6.595 90; 90; 90 | 174.305 | Gard, J.A.; West, A.R. Preparation and crystal structure of Li2 Ca Si O4 and isostructural Li2 Ca Ge O4 Journal of Solid State Chemistry, 1973, 7, 422-427 |
| 1530311 | CIF | H12 I2 Ni O6 | P -3 m 1 | 7.638; 7.638; 4.876 90; 90; 120 | 246.351 | Louer, M.; Grandjean, D.; Weigel, D. Structure cristalline et expansion thermique de l'iodure de nickel hexahydrate Journal of Solid State Chemistry, 1973, 7, 222-228 |
| 1530636 | CIF | Cu O3 V | R -3 :H | 4.966; 4.966; 14.0845 90; 90; 120 | 300.805 | Rea, J.R.; Kostiner, E. The crystal structure of Cu V O3 (II), a high-pressure Ilmenite phase Journal of Solid State Chemistry, 1973, 7, 163-168 |
| 1530879 | CIF | O7 P2 Si | P a -3 | 7.473; 7.473; 7.473 90; 90; 90 | 417.335 | Tillmanns, E.; Baur, W.H.; Gebert, W. Computer Simulation of Crystal Structures applied to the Solution of the Superstructure of Cubic Silicon-diphosphate Journal of Solid State Chemistry, 1973, 7, 69-84 |
| 1531039 | CIF | C70.45 H104.45 Cl13.38 N8 O12.05 | P 1 | 14.3767; 24.3477; 24.5528 90.131; 93.427; 91.09 | 8577.5 | Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R. Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties Chem. Sci., 2016, 7, 183 |
| 1531401 | CIF | La0.3 O3 Pb0.56 Ti | P m -3 m | 3.916; 3.916; 3.916 90; 90; 90 | 60.052 | Hennings, D.; Rosenstein, G. X-ray structure investigation of Lanthanum modified Lead titanate with A-site and B-site vacancies Materials Research Bulletin, 1972, 7, 1505-1514 |
| 1532467 | CIF | C11 H7 F2 N3 O3 S | C 1 2 1 | 26.261; 5.162; 9.7804 90; 111.188; 90 | 1236.2 | Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells Chem. Sci., 2016, 7, 256 |
| 1532488 | CIF | C15 H10 Br N3 O2 | P -1 | 5.2396; 10.766; 12.305 97.556; 93.106; 95.573 | 683.3 | Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci., 2016, 7, 315 |
| 1532489 | CIF | C18 H15 N3 S | P 1 21/c 1 | 9.3536; 17.701; 9.8752 90; 111.505; 90 | 1521.2 | Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci., 2016, 7, 315 |
| 1532503 | CIF | C38 H80 Fe2 O6 P2 Si8 | P 1 21/c 1 | 15.6926; 17.5019; 21.2042 90; 110.633; 90 | 5450.2 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1532504 | CIF | C26 H52 Fe N O3 P Si4 | P -1 | 9.4542; 11.3877; 16.3807 75.408; 87.846; 79.154 | 1676.1 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1532505 | CIF | C22 H49 Fe O3 P Si5 | P -1 | 11.1846; 11.2283; 14.972 83.758; 76.946; 60.902 | 1600.5 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1532506 | CIF | C37 H56 Fe O3 P Si4 Sn | P 21 21 21 | 11.387; 14.883; 24.983 90; 90; 90 | 4233.9 | Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci., 2016, 7, 191 |
| 1533036 | CIF | Ca F6 Ti | R -3 m :H | 5.771; 5.771; 14.136 90; 90; 120 | 407.717 | Ravez, J.; Vassiliadis, M.; von der Muehll, R.; Hagenmuller, P. Les systemes M F2 Ti F4 (M = Ca, Sr, Ba) Revue de Chimie Minerale, 1970, 7, 967-973 |
| 1533475 | CIF | Ba0.5 Ce0.475 O2.975 Sr0.5 Yb0.05 Zr0.475 | P n m a | 6.0415; 8.6032; 6.0748 90; 90; 90 | 315.745 | Antoine, O.; Hatchwell, C.; McEvoy, A.J.; Mather, G.C. Structure and conductivity of a Yb-doped (Sr Ce O3) - (Ba Zr O3) solid solution Electrochemical Society Proceedings, 2003, 7, 379-387 |
| 1534095 | CIF | C32 H40 N0 O8 | P 21 21 21 | 8.2474; 12.543; 29.019 90; 90; 90 | 3001.9 | Yang, Shanshan; Sun, Jiachen; Lu, Hong; Ma, Hong; Zhang, Yaozhou Bioactivity-guided isolation of anticancer compounds from Euphorbia lathyris Anal. Methods, 2015, 7, 9568 |
| 1534126 | CIF | C16 H13 N O3 | P b c a | 7.2317; 11.2958; 32.232 90; 90; 90 | 2633 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534127 | CIF | C17 H15 N O3 | P 1 21/c 1 | 5.792; 23.556; 11.041 90; 113.83; 90 | 1378 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534128 | CIF | C18 H19 N O5 | P 1 21 1 | 11.1595; 6.7253; 11.4275 90; 103.413; 90 | 834.25 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534129 | CIF | C23 H19 N O4 | P 21 21 21 | 7.6287; 11.5801; 20.615 90; 90; 90 | 1821.2 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534130 | CIF | C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 | P -1 | 13.668; 15.095; 19.109 79.735; 89.183; 63.926 | 3475 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
| 1534131 | CIF | C64 H54 B2 O4 | P -1 | 7.553; 12.357; 12.549 83.18; 74.39; 84.51 | 1117.6 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534132 | CIF | C96 H118 B2 O4 | P -1 | 11.769; 14.134; 23.62 84.13; 87.54; 84.78 | 3890 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534133 | CIF | C102 H130 B2 K3 N6 O18 | P 1 21/n 1 | 15.4324; 29.3994; 21.2075 90; 97.632; 90 | 9536.7 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534134 | CIF | C88 H82 B2 N4 O4 | P 1 21/c 1 | 17.0469; 17.6986; 23.1757 90; 99.4921; 90 | 6896.5 | Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci., 2016, 7, 219 |
| 1534271 | CIF | Ta Te4 | P 4 c c | 6.514; 6.514; 6.809 90; 90; 90 | 288.921 | Bjerkelund, E.; Kjekshus, A. On the crystal structure of Ta Te4 Journal of the Less-Common Metals, 1964, 7, 231-234 |
| 1534349 | CIF | C30 H54 O3 Si4 | P 1 21/c 1 | 11.113; 35.197; 9.482 90; 102.084; 90 | 3626.6 | Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci., 2016, 7, 394 |
| 1534350 | CIF | C24 H64 O3 Si8 | P 1 21/c 1 | 16.614; 18.221; 14.051 90; 105.69; 90 | 4095 | Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci., 2016, 7, 394 |
| 1534393 | CIF | C86 H74 Cl4 F12 N6 O5 P2 | P 1 21/n 1 | 11.1928; 21.893; 32.961 90; 92.044; 90 | 8072 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
| 1534394 | CIF | C106 H97 Cl21 F12 N6 O6 P2 | P -1 | 11.354; 17.925; 30.835 103.44; 93.42; 103.76 | 5884 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
| 1534395 | CIF | C99 H88 F6 N5 O7 P | I 41/a | 33.379; 33.379; 40.257 90; 90; 90 | 44853 | Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci., 2016, 7, 469 |
| 1534396 | CIF | C193 H178 Cl2 N8 O36 | P -1 | 14.0049; 23.6564; 26.0431 71.035; 82.975; 82.271 | 8057.2 | Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles Chem. Sci., 2016, 7, 525 |
| 1534397 | CIF | C30 H25 Cl3 N2 S2 | P 65 | 13.8888; 13.8888; 25.754 90; 90; 120 | 4302.3 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534398 | CIF | C31 H32 N2 O2 S2 | P 1 21/c 1 | 22.178; 7.454; 18.052 90; 104.184; 90 | 2893.3 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534399 | CIF | C32 H31 F3 N2 O4 S2 | P 1 21/c 1 | 20.1561; 9.0577; 17.1173 90; 93.287; 90 | 3119.9 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534400 | CIF | C64 H62 N6 O2 S4 | P b c a | 18.22; 12.964; 24.265 90; 90; 90 | 5731 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
| 1534401 | CIF | C38 H57 Cl F19 N7 O5 P3 Ru | P -1 | 10.036; 14.855; 18.895 73.62; 76.36; 87.09 | 2626 | Du, Jun; Zhang, Erlong; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Luo, Qun; Wu, Kui; Wang, Fuyi Discovery of a dual-targeting organometallic ruthenium complex with high activity inducing early stage apoptosis of cancer cells. Metallomics : integrated biometal science, 2015, 7, 1573-1583 |
| 1534937 | CIF | Fe2 O16 P4 Pb3 | P 1 21/c 1 | 9.0065; 9.0574; 9.3057 90; 116.88; 90 | 677.098 | Malakho, A.P.; Morozov, V.A.; Lazoryak, B.I.; Pokholok, K.V.; van Tendeloo, G. Layered ordering of vacancies of lead iron phosphate Pb3 Fe2 (P O4)4 Solid State Sciences, 2005, 7, 397-404 |
| 1535031 | CIF | Ce2 Fe1.82 S5 | P m n 21 | 3.959; 16.413; 11.2362 90; 90; 90 | 730.118 | Harms, W.; Mills, A.M.; Wagner, F.E.; Soehnel, T.; Laubschat, C.; Geibel, C.; Hossain, Z.; Ruck, M. The nonstoichiometric ternary cerium iron sulfide Ce2 Fe1.82 S5 Solid State Sciences, 2005, 7, 59-66 |
| 1535040 | CIF | Mo3 O12 Y2 | P b c n | 13.86882; 9.93488; 10.02158 90; 90; 90 | 1380.82 | Marinkovic, B.A.; Jardim, P.M.; Rizzo, F.; de Avillez, R.R. Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12 Solid State Sciences, 2005, 7, 1377-1383 |
| 1535059 | CIF | Mn3 O8 P2 | P 1 21/n 1 | 5.2344; 6.6739; 8.9688 90; 95.276; 90 | 311.987 | Massa, W.; Yakubovich, O.V.; Dimitrova, O.V. A Novel Modification of Manganese Orthophosphate Mn3 (P O4)2 Solid State Sciences, 2005, 7, 950-956 |
| 1535061 | CIF | Bi Cl Cu3 O8 Te2 | P c m n | 6.3719; 9.8524; 14.358 90; 90; 90 | 901.374 | Becker, R.; Mats, J. Crystal structure of Cu3 Bi (Te O3)2 O2 Cl: a Kagome lattice type compound Solid State Sciences, 2005, 7, 375-380 |
| 1535412 | CIF | C Br5 Ir K2 O | P n m a | 14; 10.663; 7.17 90; 90; 90 | 1070.35 | Bonamico, M.; Duranti, D.; Vaciago, A.; Zambonelli, L. Struttura cristallina del pentabromocarboniliridato(III) di potassio Ricerca Scientifica, Parte 2: Rendiconti, Sezione A: Abiologica, 1964, 7, 613-621 |
| 1535447 | CIF | Cu I | F -4 3 m | 6.14; 6.14; 6.14 90; 90; 90 | 231.476 | Miyake, S.; Takenaka, T.; Hoshino, S. On the phase transition in cuprous iodide Journal of the Physical Society of Japan, 1952, 7, 19-24 |
| 1535540 | CIF | Mo S2 | R 3 m :H | 3.16; 3.16; 18.32999 90; 90; 120 | 158.514 | Traill, R.J. A rhombohedral polytype of molybdenite Canadian Mineralogist, 1962, 7, 524-526 |
| 1535570 | CIF | Bi11.2 Cs0.65 Pb3.8 Se21 | C 1 2/m 1 | 32.3219; 4.1715; 17.57039 90; 112.69; 90 | 2185.68 | Mrotzek, A.; Chung, D.-Y.; Ghelani, N.; Kanatzidis, M.G.; Hogan, T. Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A= K, Rb, Cs; M= Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n) Chemistry - A European Journal, 2001, 7, 1915-1926 |
| 1535573 | CIF | Bi12.71 K1.46 Pb1.57 Se21 | C 1 2/m 1 | 31.883; 4.1863; 17.387 90; 112.098; 90 | 2150.2 | Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.; Ghelani, N. Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n) Chemistry - A European Journal, 2001, 7, 1915-1926 |
| 1535576 | CIF | Bi11.46 K0.54 Se21 Sn3.54 | C 1 2/m 1 | 31.91; 4.1462; 17.311 90; 112.064; 90 | 2122.6 | Mrotzek, A.; Chung, D.-Y.; Kanatzidis, M.G.; Hogan, T.; Ghelani, N. Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous Series Km (M6 Se8)m (M5+n Se9+n) Chemistry - A European Journal, 2001, 7, 1915-1926 |
| 1535580 | CIF | Bi12.52 Pb2.48 Rb0.69 Se21 | C 1 2/m 1 | 31.991; 4.1937; 17.481 90; 112.519; 90 | 2166.44 | Mrotzek, A.; Hogan, T.; Ghelani, N.; Chung, D.-Y.; Kanatzidis, M.G. Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n) Chemistry - A European Journal, 2001, 7, 1915-1926 |
| 1535739 | CIF | Nd Se Te2 | C m c m | 4.256; 24.993; 4.258 90; 90; 90 | 452.924 | Tsinde, B.P.F.; Doert, T. The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions Solid State Sciences, 2005, 7, 573-587 |
| 1535746 | CIF | Ce1.0257 Se1.0257 Te2 | C 1 2/c 1 | 4.257; 25.176; 4.259 90; 90.04; 90 | 456.455 | Tsinde, B.P.F.; Doert, T. The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions Solid State Sciences, 2005, 7, 573-587 |
| 1535750 | CIF | Ce Se Te2 | C m c m | 4.261; 25.23; 4.262 90; 90; 90 | 458.186 | Tsinde, B.P.F.; Doert, T. The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions Solid State Sciences, 2005, 7, 573-587 |
| 1535754 | CIF | Pr Se Te2 | C m c m | 4.262; 25.034; 4.272 90; 90; 90 | 455.801 | Tsinde, B.P.F.; Doert, T. The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions Solid State Sciences, 2005, 7, 573-587 |
| 1535833 | CIF | C2 K N3 | P b c m | 8.36518; 6.46898; 7.21266 90; 90; 90 | 390.307 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535837 | CIF | C2 K N3 | P 1 21/n 1 | 7.26924; 15.96335; 3.87037 90; 111.878; 90 | 416.777 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535841 | CIF | C2 K N3 | P n m a | 8.55404; 3.87802; 12.5273 90; 90; 90 | 415.565 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535845 | CIF | C6 K3 N9 | P 1 21/c 1 | 3.73823; 11.9248; 25.0044 90; 101.406; 90 | 1092.62 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535848 | CIF | C2 N3 Rb | P b c m | 8.56092; 6.61711; 7.65067 90; 90; 90 | 433.399 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535851 | CIF | C2 N3 Rb | C 1 2/c 1 | 13.8156; 10.00018; 14.43275 90; 116.896; 90 | 1778.31 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535855 | CIF | C6 N9 Rb3 | P 1 21/c 1 | 3.89927; 12.2606; 25.4745 90; 98.741; 90 | 1203.72 | Irran, E.; Juergens, B.; Schnick, W. Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry Chemistry - A European Journal, 2001, 7, 5372-5381 |
| 1535946 | CIF | C6 H1.72 Cl9 Cs3 Mn N6 Nb6 O3.86 | F m -3 m | 15.708; 15.708; 15.708 90; 90; 90 | 3875.81 | Naumov, N.G.; Cordier, S.; Perrin, C. An extended open framework based on disordered [Nb6 Cl9 O3 (C N)6]5- cluster units: synthesis and crystal structure of Cs3 Mn [Nb6 Cl9 O3 (C N)6]. 0.6H2 O Solid State Sciences, 2005, 7, 1517-1521 |
| 1536074 | CIF | Ga38.9 V8 Zn2.1 | R -3 :H | 13.9244; 13.9244; 14.866 90; 90; 120 | 2496.19 | Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I. The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework Chemistry - A European Journal, 2001, 7, 5143-5152 |
| 1536078 | CIF | Ga41 V8 | R -3 :H | 13.9351; 13.9351; 14.8828 90; 90; 120 | 2502.85 | Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P. The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework Chemistry - A European Journal, 2001, 7, 5143-5152 |
| 1536081 | CIF | Cr8 Ga29.8 Zn11.2 | R -3 :H | 13.7153; 13.7153; 14.6872 90; 90; 120 | 2392.66 | Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U. The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework Chemistry - A European Journal, 2001, 7, 5143-5152 |
| 1536110 | CIF | C4 Rh Sc3 | C 1 2/m 1 | 5.6016; 12.258; 5.6016 90; 106.08; 90 | 369.582 | Vogt, C.; Hoffmann, R.D.; Poettgen, R. The Superstructure of Sc3 Rh C4 and Sc3 Ir C4 Solid State Sciences, 2005, 7, 1003-1009 |
| 1536114 | CIF | C4 Ir Sc3 | C 1 2/m 1 | 5.5996; 12.241; 5.5994 90; 105.35; 90 | 370.118 | Vogt, C.; Hoffmann, R.D.; Poettgen, R. The Superstructure of Sc3 Rh C4 and Sc3 Ir C4 Solid State Sciences, 2005, 7, 1003-1009 |
| 1536129 | CIF | Cu4 H6 N2 O12 | P 1 21/m 1 | 5.587; 6.062; 6.91 90; 94.5; 90 | 233.309 | Nowacki, W.; Scheidegger, R. Die Kristallstruktur des monoklinen basischen Kupfernitrats Experientia, 1951, 7, 454-454 |
| 1536139 | CIF | Ba H3 N3 Na O6 P3 | C 1 2/m 1 | 10.845; 10.25; 7.9624 90; 115.18; 90 | 801.003 | Correll, S.; Sedlmaier, S.; Schnick, W. Synthesis, crystal structures and properties of the trimetaphosphimates Na Ba (P O2 N H)3, K Sr (P O2 N H)3 4(H2 O) and N H4 Sr (P O2 N H)3 4(H2 O) Solid State Sciences, 2005, 7, 1261-1271 |
| 1536387 | CIF | In4 La Ni | C m c m | 4.482; 16.895; 7.221 90; 90; 90 | 546.799 | Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R. New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4 Chemistry - A European Journal, 2001, 7, 5343-5349 |
| 1536390 | CIF | In5.64 La Ni7.36 | I b a m | 8.066; 9.248; 12.465 90; 90; 90 | 929.819 | Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R. New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4 Chemistry - A European Journal, 2001, 7, 5343-5349 |
| 1536394 | CIF | H7 Mn2 Mo2 N O10 | C 1 2/m 1 | 9.7575; 6.75649; 7.96884 90; 115.384; 90 | 474.637 | Palacio, L.A.; Echavarria, A.; Hoyos, D.A.; Saldarriaga, C. Synthesis, characterization and structural data of an ammonium manganomolybdate type Sigma(X) Solid State Sciences, 2005, 7, 1043-1048 |
| 1536501 | CIF | Ba4 Br2 Si3 | P 1 21/c 1 | 15.0402; 8.8446; 8.8017 90; 101.926; 90 | 1145.57 | Wengert, S.; Willems, J.B.; Nesper, R. Ba4 Si3 Br2: a double salt of barium bromide and barium silicide containing a novel cyclotrisilicide unit Chemistry - A European Journal, 2001, 7, 3209-3213 |
| 1536677 | CIF | Ba1.96 K4.04 Nb4 S22 | P 1 21/c 1 | 14.5408; 12.6577; 17.57 90; 94.791; 90 | 3222.51 | Wu, Y.; Naether, C.; Lehnert, N.; Bensch, W. Synthesis, crystal structure and properties of K4 Ba2 (Nb2 S11)2 Solid State Sciences, 2005, 7, 1062-1069 |
| 1536868 | CIF | C44 H36 Cl3 Dy N4 O10 Zn2 | C 1 2/c 1 | 16.203; 22.757; 14.315 90; 104.77; 90 | 5104 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536869 | CIF | C45 H40 Br3 Cl0 Dy N4 O12 Zn2 | P -1 | 10.6898; 15.3759; 16.5328 92.178; 108.24; 99.096 | 2537.31 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536870 | CIF | C88 H76 Br8 Dy2 N8 O18 Zn5 | P 1 21/n 1 | 12.6367; 16.8613; 23.4058 90; 104.117; 90 | 4836.5 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question – high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536871 | CIF | C44 H48 Cl3 Dy N4 O8 Zn2 | C 1 2/c 1 | 16.2823; 23.8976; 14.0704 90; 104.843; 90 | 5292.2 | Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci., 2016, 7, 684 |
| 1536875 | CIF | C66 H90 N2 O8 Zn2 | P b c a | 10.881; 19.554; 29.442 90; 90; 90 | 6264.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal–organic materials Chem. Sci., 2016, 7, 707 |
| 1536876 | CIF | C38 H50 N2 O4 Zn | P 1 21/c 1 | 10.671; 19.665; 17.723 90; 97.137; 90 | 3690 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal–organic materials Chem. Sci., 2016, 7, 707 |
| 1536877 | CIF | C32 H46 N2 O4 Zn | P b c a | 12.2437; 18.3841; 30.3846 90; 90; 90 | 6839.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal–organic materials Chem. Sci., 2016, 7, 707 |
| 1536878 | CIF | C36 H52 N4 O4 Zn | P 1 21/c 1 | 10.6541; 19.7432; 17.8899 90; 99.193; 90 | 3714.7 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal–organic materials Chem. Sci., 2016, 7, 707 |
| 1536879 | CIF | C47 H56 N2 O4 Zn | P 1 21/c 1 | 10.404; 32.256; 13.672 90; 111.664; 90 | 4264.1 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536880 | CIF | C76 H96 N2 O8 Zn2 | P 1 21/n 1 | 12.617; 18.443; 15.543 90; 102.81; 90 | 3526.8 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal–organic materials Chem. Sci., 2016, 7, 707 |
| 1536881 | CIF | C31 H36 N O2 Zn0.5 | P 1 21/n 1 | 7.6947; 13.1945; 27.271 90; 95.507; 90 | 2756 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536882 | CIF | C127.8 H160.2 N3 O12 Zn3 | P -1 | 15.4724; 15.4781; 28.908 78.73; 88.358; 60.122 | 5867.8 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
| 1536927 | CIF | Br8 P22 Sn16.8 Zn7.2 | P m -3 n | 10.7254; 10.7254; 10.7254 90; 90; 90 | 1233.79 | Kovnir, K.A.; Shatruk, M.M.; Baenitz, M.; Presnyakov, I.A.; Dikarev, E.V.; Reshetova, L.N.; Baitinger, M.; Shevelkov, A.V.; Schnelle, W.; Grin', Yu.; Haarmann, F. Novel compounds Sn20 Zn4 P22-nI8 (n = 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures Solid State Sciences, 2005, 7, 957-968 |
| 1536931 | CIF | I8 P22 Sn17.2 Zn6.8 | P m -3 n | 10.8425; 10.8425; 10.8425 90; 90; 90 | 1274.64 | Kovnir, K.A.; Shatruk, M.M.; Baitinger, M.; Presnyakov, I.A.; Reshetova, L.N.; Dikarev, E.V.; Grin', Yu.; Haarmann, F.; Baenitz, M.; Schnelle, W.; Shevelkov, A.V. Novel compounds Sn20 Zn4 P22-nI8 (n= 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures Solid State Sciences, 2005, 7, 957-968 |
| 1536934 | CIF | I8 P20.83 Sn20.03 Zn3.96 | P m -3 n | 10.881; 10.881; 10.881 90; 90; 90 | 1288.27 | Kovnir, K.A.; Shatruk, M.M.; Haarmann, F.; Presnyakov, I.A.; Reshetova, L.N.; Grin', Yu.; Baenitz, M.; Baitinger, M.; Dikarev, E.V.; Schnelle, W.; Shevelkov, A.V. Novel compounds Sn20 Zn4 P22-nI8 (n = 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures Solid State Sciences, 2005, 7, 957-968 |
| 1536963 | CIF | Ce2 Ge2 In | P 4/m b m | 7.563; 7.563; 4.381 90; 90; 90 | 250.589 | Zaremba, V.I.; Nychyporuk, G. P.; Johrendt, D.; Rodewald, U.C.; Poettgen, R. Structure and Chemical Bonding of Ce2 Ge2 In and Ce2 Pt2 In Solid State Sciences, 2005, 7, 998-1002 |
| 1537084 | CIF | H20 K2 Mg3 O24 P4 | P 1 21/c 1 | 7.553; 6.681; 20.271 90; 93.02; 90 | 1021.49 | Frank, A.; Norrestam, R.; Sjödin, A. A new urolith in four cats and a dog: composition and crystal structure JBIC Journal of Biological Inorganic Chemistry, 2002, 7, 437-444 |
| 1537360 | CIF | S2 Ta | P -3 m 1 | 3.35; 3.35; 5.86 90; 90; 120 | 56.953 | Haegg, G.; Schoenberg, N. X-ray studies of sulfides of titanium, zirconium, niobium, and tantalum Arkiv foer Kemi, 1954, 7, 371-380 |
| 1537570 | CIF | Fe3 Se4 | I 1 2/m 1 | 6.2; 3.53; 11.26 90; 91.73; 90 | 246.324 | Lambert-Andron, B.; Berodias, G. Etude par diffraction neutronique de Fe3 Se4 Solid State Communications, 1969, 7, 623-629 |
| 1537923 | CIF | Np Pd3 | P m -3 m | 4.069; 4.069; 4.069 90; 90; 90 | 67.369 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537925 | CIF | Pd3 Pr | P m -3 m | 4.135; 4.135; 4.135 90; 90; 90 | 70.701 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537927 | CIF | Pd3 Sm | P m -3 m | 4.101; 4.101; 4.101 90; 90; 90 | 68.971 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537929 | CIF | Pd3 Tb | P m -3 m | 4.074; 4.074; 4.074 90; 90; 90 | 67.618 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537931 | CIF | Pd3 Tm | P m -3 m | 4.044; 4.044; 4.044 90; 90; 90 | 66.135 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537933 | CIF | Pd3 Yb | P m -3 m | 4.04; 4.04; 4.04 90; 90; 90 | 65.939 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537935 | CIF | Pt2 Sm | F d -3 m :1 | 7.66; 7.66; 7.66 90; 90; 90 | 449.455 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537937 | CIF | Pt3 Y | P m -3 m | 4.069; 4.069; 4.069 90; 90; 90 | 67.369 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537939 | CIF | Rh3 Th | P m -3 m | 4.139; 4.139; 4.139 90; 90; 90 | 70.907 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1537941 | CIF | Ho Pd3 | P m -3 m | 4.058; 4.058; 4.058 90; 90; 90 | 66.825 | Erdmann, B.; Keller, C. Actinide(lanthanide)-noble metal alloy phases, preparation and properties Journal of Solid State Chemistry, 1973, 7, 40-48 |
| 1538041 | CIF | S2 Ta | R -3 m :R | 6.39; 6.39; 6.39 30.18; 30.18; 30.18 | 58.424 | Haegg, G. Tantalum sulfide Arkiv foer Kemi, 1954, 7, 40-40 |
| 1538044 | CIF | Nb S2 | R -3 m :H | 3.33; 3.33; 17.8 90; 90; 120 | 170.938 | Haegg, G.; Schoenberg, N. X-ray studies of sulfides of titanium, zirconium, niobium, and tantalum Arkiv foer Kemi, 1954, 7, 371-380 |
| 1538144 | CIF | O3 Sc2 | I a -3 | 9.72; 9.72; 9.72 90; 90; 90 | 918.33 | Goldschmidt, V.M. Geochemische Verteilungsgesetze der Elemente. Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse, 1925, 7, 1-1 |
| 1538146 | CIF | O3 Tl2 | I a -3 | 10.59; 10.59; 10.59 90; 90; 90 | 1187.65 | Goldschmidt, V.M. Geochemische Verteilungsgesetze der Elemente. Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse, 1925, 7, 1-1 |
| 1538147 | CIF | In2 O3 | I a -3 | 10.14; 10.14; 10.14 90; 90; 90 | 1042.59 | Goldschmidt, V.M. Geochemische Verteilungsgesetze der Elemente. Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse, 1925, 7, 1-59 |
| 1538305 | CIF | Nb1.3 Ru0.7 | I m -3 m | 3.188; 3.188; 3.188 90; 90; 90 | 32.401 | Hurley, G.F.; Brophy, J.H. A constitution diagram for the niobium-ruthenium system above 1100 degree Journal of the Less-Common Metals, 1964, 7, 267-277 |
| 1538306 | CIF | Nb0.6 Ru1.4 | P 63/m m c | 2.762; 2.762; 4.432 90; 90; 120 | 29.28 | Hurley, G.F.; Brophy, J.H. A constitution diagram for the niobium-ruthenium system above 1100 degree Journal of the Less-Common Metals, 1964, 7, 267-277 |
| 1538307 | CIF | Nb Ru | I 4/m m m | 3.003; 3.003; 3.368 90; 90; 90 | 30.373 | Hurley, G.F.; Brophy, J.H. A constitution diagram for the niobium-ruthenium system above 1100 degree Journal of the Less-Common Metals, 1964, 7, 267-277 |
| 1538319 | CIF | Mo O8 V2 | C m m 2 | 19.4; 3.62; 4.13 90; 90; 90 | 290.042 | Mahe-Pailleret, P. Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et U-Mo-O Revue de Chimie Minerale, 1970, 7, 807-846 |
| 1538320 | CIF | O8 U V2 | P n m a | 5.7; 11.78; 10.42 90; 90; 90 | 699.661 | Mahe-Pailleret, P. Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et Q-Mo-O Revue de Chimie Minerale, 1970, 7, 807-846 |
| 1538321 | CIF | Mo2 O8 U | P b a n :1 | 20.08; 7.32; 4.11 90; 90; 90 | 604.111 | Mahe-Pailleret, P. Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et U-Mo-O Revue de Chimie Minerale, 1970, 7, 807-846 |
| 1538393 | CIF | O3 Pb Ti0.42 Zr0.58 | R 3 m :R | 4.07; 4.07; 4.07 89.65; 89.65; 89.65 | 67.415 | Michel, C.; Moreau, J.M.; Achenbach, G.D.; Gerson, R.; James, W.J. Atomic structures of two rhombohedral ferroelectric phases in the Pb (Zr Ti) O3 solid solution series Solid State Communications, 1969, 7, 865-868 |
| 1538431 | CIF | C17 H8 N2 O3 S | P 1 21/c 1 | 15.8828; 6.8328; 13.9502 90; 107.844; 90 | 1441.1 | Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior Chem. Sci., 2016, 7, 655 |
| 1538526 | CIF | Ba2 Ge S4 | P n m a | 8.959; 6.885; 12.218 90; 90; 90 | 753.639 | Ribes, M.; Maurin, M. Etude radiochristallographique des thiogermanates de baryum Revue de Chimie Minerale, 1970, 7, 75-86 |
| 1538585 | CIF | Pr2.667 S4 | I -4 3 d | 8.62; 8.62; 8.62 90; 90; 90 | 640.504 | Lashkarev, G.V.; Radzikovskaya, S.V.; Radchenko, M.V. Magnetic susceptibilities of certain rare earth sesquisulfides Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1971, 7, 767-768 |
| 1538587 | CIF | S4 Sm2.667 | I -4 3 d | 8.43; 8.43; 8.43 90; 90; 90 | 599.077 | Lashkarev, G.V.; Radzikovskaya, S.V.; Radchenko, M.V. Magnetic susceptibilities of certain rare earth sesquisulfides Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1971, 7, 767-768 |
| 1538820 | CIF | Nd Ni0.5 Si1.5 | P 6/m m m | 4.02; 4.02; 4.207 90; 90; 120 | 58.878 | Mayer, I.; Felner, I. Structure types of ternary rare earth - Transition metal silicides of the Ln Mx Si2-x type Journal of Solid State Chemistry, 1973, 7, 292-296 |
| 1538822 | CIF | Ni2 Pr | F d -3 m :1 | 7.284; 7.284; 7.284 90; 90; 90 | 386.465 | Mayer, I.; Felner, I. Structure types of ternary rare earth - Transition metal silicides of the Ln Mx Si2-x type Journal of Solid State Chemistry, 1973, 7, 292-296 |
| 1538824 | CIF | Ni0.5 Pr Si1.5 | P 6/m m m | 4.021; 4.021; 4.025 90; 90; 120 | 56.359 | Mayer, I.; Felner, I. Structure types of ternary rare earth - Transition metal silicides of the Ln Mx Si2-x type Journal of Solid State Chemistry, 1973, 7, 292-296 |
| 1538955 | CIF | S U | F m -3 m | 5.481; 5.481; 5.481 90; 90; 90 | 164.657 | Palewski, T.; Bukowski, Z. Magnetic properties of U S1-x - U Sex solid solution Materials Science, 1981, 7, 463-466 |
| 1538956 | CIF | Se U | F m -3 m | 5.727; 5.727; 5.727 90; 90; 90 | 187.837 | Palewski, T.; Bukowski, Z. Magnetic properties of U S1-x - U Sex solid solution Materials Science, 1981, 7, 463-466 |
| 1539134 | CIF | Mn O3 Sn | R -3 c :R | 5.611; 5.611; 5.611 57.23; 57.23; 57.23 | 116.944 | Syono, Y.; Sawamoto, H.; Akimoto, S. Disordered ilmenite Mn Sn O3 and its magnetic property Solid State Communications, 1969, 7, 713-716 |
| 1539150 | CIF | Hf Nb | I m -3 m | 3.418; 3.418; 3.418 90; 90; 90 | 39.932 | Taylor, A.; Doyle, N.J. The constitution diagram of the niobium-hafnium system Journal of the Less-Common Metals, 1964, 7, 37-53 |
| 1539152 | CIF | Hf0.8 Nb0.6 Zr0.6 | I m -3 m | 3.478; 3.478; 3.478 90; 90; 90 | 42.072 | Taylor, A.; Doyle, N.J. The constitution diagram of the niobium-hafnium system Journal of the Less-Common Metals, 1964, 7, 37-53 |
| 1539456 | CIF | Cs2 F6 Rb Y | F m -3 m | 9.625; 9.625; 9.625 90; 90; 90 | 891.666 | Vedrine, A.; Besse, J.P.; Baud, G.; Capestan, M. Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre ces elements Revue de Chimie Minerale, 1970, 7, 593-610 |
| 1539460 | CIF | Cs2 F6 K Y | F m -3 m | 9.445; 9.445; 9.445 90; 90; 90 | 842.57 | Vedrine, A.; Besse, J.P.; Capestan, M.; Baud, G. Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre ces elements Revue de Chimie Minerale, 1970, 7, 593-610 |
| 1539464 | CIF | Cs2 F6 Na Y | F m -3 m | 9.075; 9.075; 9.075 90; 90; 90 | 747.377 | Vedrine, A.; Besse, J.P.; Capestan, M.; Baud, G. Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre ces elements. Revue de Chimie Minerale, 1970, 7, 593-610 |
| 1539466 | CIF | F6 Na Rb2 Y | F m -3 m | 8.895; 8.895; 8.895 90; 90; 90 | 703.782 | Vedrine, A.; Capestan, M.; Baud, G.; Besse, J.P. Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre des elements. Revue de Chimie Minerale, 1970, 7, 593-610 |
| 1539490 | CIF | Sb Sc | F m -3 m | 5.838; 5.838; 5.838 90; 90; 90 | 198.972 | Zhuravlev, N.N.; Smirnova, E.M. Alloys of bismuth and antimony with scandium Soviet Physics, Crystallography (= Kristallografiya), 1962, 7, 243-244 |
| 1539658 | CIF | Al88.11 Gd27 H390 Na7 O579 Si103.9 | F d -3 m :2 | 25.067; 25.067; 25.067 90; 90; 90 | 15751 | Calestani, G.; Bacca, G.; Andreetti, G.D. Structural study of zeolite X exchanged with 'f' transition elements.Part II. Crystal structure of hydrated Gd27 Na7 (88) zeolite X Zeolites, 1987, 7, 59-62 |
| 1539660 | CIF | Al88.032 Na83.056 O522.56 Si103.968 | F d -3 :2 | 25.031; 25.031; 25.031 90; 90; 90 | 15683.2 | Calestani, G.; Bacca, G.; Andreetti, G.D. Structural study of zeolite X exchanged with 'f' transition elements.Part I. Crystal structure of reference hydrated Na-X Zeolites, 1987, 7, 54-58 |
| 1539669 | CIF | K3 Lu O8 P2 | P -3 | 9.601; 9.601; 7.725 90; 90; 120 | 616.683 | Efremov, V.A.; Mel'nikov, P.P.; Komissarova, L.N. Distortion of the glaserite structure of K3 Lu (P O4)2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1981, 7, 467-471 |
| 1539743 | CIF | Cu2 In | P 63/m m c | 4.2943; 4.2943; 5.2328 90; 90; 120 | 83.57 | Che, G.C.; Ellner, M. Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4(h) and Cu2 In(h) Powder Diffraction, 1992, 7, 107-108 |
| 1540023 | CIF | C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 | P -1 | 30.518; 31.449; 54.722 81.113; 76.27; 68.114 | 47215 | Metherell, Alexander J.; Ward, Michael D. Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component Chem. Sci., 2016, 7, 910 |
| 1540182 | CIF | C28 H20 B2 Cu2 Mn4 O8 | P 1 21/c 1 | 12.657; 17.3227; 13.6878 90; 91.065; 90 | 3000.6 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540183 | CIF | C28 H20 Au2 B2 Mn4 O8 | C 1 2/c 1 | 17.4662; 12.1607; 15.4013 90; 119.822; 90 | 2838.1 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540184 | CIF | C50 H76 B Cu Mn2 O4 P2 Pt | P -1 | 11.174; 11.176; 19.8602 83.931; 83.831; 75.995 | 2384.3 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540185 | CIF | C70 H83 B Cu Mn2 N2 O4 P Pt | P -1 | 12.516; 13.405; 19.099 100.262; 97.963; 95.107 | 3101.4 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540186 | CIF | C138 H112 Cu2 N4 S | C 1 c 1 | 20.1366; 18.5935; 28.856 90; 95.5214; 90 | 10753.8 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540187 | CIF | C70 H59 Cl2 Cu N2 S | P 1 21/c 1 | 12.65; 18.177; 23.842 90; 91.587; 90 | 5480 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540188 | CIF | C27 H37 Cu N2 S | P c c n | 12.6538; 10.6947; 19.3375 90; 90; 90 | 2616.9 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper–sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540189 | CIF | C15 H31 B2 N O4 | P -1 | 6.3072; 12.4643; 12.5184 101.141; 100.174; 103.802 | 911.73 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540190 | CIF | C37 H49 Mg N3 O | P 1 21/n 1 | 12.741; 12.948; 20.76 90; 92.575; 90 | 3421.33 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540191 | CIF | C74 H98 Mg2 N6 O2 | P 1 21/n 1 | 22.747; 13.264; 24.917 90; 115.512; 90 | 6784.83 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540192 | CIF | C40 H64 B Mg N3 O | P 1 21/c 1 | 13.7058; 13.1659; 22.9509 90; 96.1775; 90 | 4117.42 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540193 | CIF | C102 H132 B Mg2 N6 O2 | C 1 c 1 | 12.3279; 30.1877; 26.5175 90; 102.622; 90 | 9630 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540380 | CIF | C84 H153 Ag3 Au15 O2 S14 | C 1 2/c 1 | 24.9951; 18.5586; 51.826 90; 90.478; 90 | 24040 | Xiang, Ji; Li, Peng; Song, Yongbo; Liu, Xia; Chong, Hanbao; Jin, Shan; Pei, Yong; Yuan, Xiaoyou; Zhu, Manzhou X-Ray crystal structure, and optical and electrochemical properties of the Au15Ag3(SC6H11)14 nanocluster with a core-shell structure. Nanoscale, 2015, 7, 18278-18283 |
| 1540390 | CIF | C66 H56 | R -3 :H | 37.115; 37.115; 8.929 90; 90; 120 | 10652 | Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci., 2016, 7, 650 |
| 1540391 | CIF | C84 H72 O2 | P 1 21/n 1 | 14.623; 14.269; 15.12 90; 109.197; 90 | 2979 | Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci., 2016, 7, 650 |
| 1540420 | CIF | C21 H16 O3 S | P -1 | 9.8165; 12.2268; 14.5725 100.954; 94.518; 103.585 | 1655.1 | Zhang, Yun; Lam, Jacky W. Y.; Tang, Ben Zhong Palladium-catalyzed alkyne polyannulation of diphenols and unactivated internal diynes: a new synthetic route to functional heterocyclic polymers Polym. Chem., 2016, 7, 330 |
| 1540421 | CIF | C44 H56 Cl2 N2 O2 S2 | P 1 21/n 1 | 9.6299; 4.8972; 42.482 90; 95.129; 90 | 1995.4 | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem., 2016, 7, 235 |
| 1540422 | CIF | C22 H27 Br Cl N O2 S | P -1 | 15.2293; 17.6141; 19.9261 110.314; 90.518; 114.615 | 4482.6 | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem., 2016, 7, 235 |
| 1540423 | CIF | C22 H25 Br2 N O2 S2 Si | P -1 | 9.117; 9.259; 16.283 86.352; 86.17; 69.853 | 1286.3 | Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem., 2016, 7, 319 |
| 1540424 | CIF | C20 H26 N2 S2 Si3 | P 1 21/c 1 | 12.979; 12.411; 15.532 90; 92.684; 90 | 2499 | Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem., 2016, 7, 319 |
| 1540427 | CIF | C78 H96 Cl16 Fe2 N8 O18 | P 1 2/c 1 | 31.467; 9.589; 30.77 90; 91.556; 90 | 9281 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540428 | CIF | C76 H92 Cl14 Fe4 N8 | P 1 21/n 1 | 15.165; 18.236; 15.623 90; 103.044; 90 | 4209 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540429 | CIF | K2 S7 Sn3 | C m c m | 3.6831; 25.8877; 16.8155 90; 90; 90 | 1603.31 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540430 | CIF | K1.92 S7.04 Sn3.04 | P 1 21/c 1 | 13.092; 16.882; 7.3748 90; 98.1; 90 | 1613.7 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540431 | CIF | C72 H74 As N4 | P -1 | 10.8398; 16.34; 17.69 85.439; 75.15; 82.111 | 2996.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540432 | CIF | C60 H62 As N3 P | P -1 | 10.6316; 12.8458; 20.4651 85.732; 82.704; 66.749 | 2546.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540433 | CIF | C60 H62 As N3 P | P -1 | 10.6707; 12.7933; 20.5386 85.861; 82.563; 67.099 | 2560.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540434 | CIF | C65.25 H71.25 As N3 P2 | P 1 21/c 1 | 24.123; 12.4043; 39.14 90; 106.871; 90 | 11207.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540435 | CIF | C29 H37 Ir O P2 S2 | P 1 21/c 1 | 13.5212; 15.0131; 16.025 90; 116.716; 90 | 2905.73 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540436 | CIF | C32.5 H40 Ir O2 P2 S2 | P -1 | 12.8155; 14.1374; 19.4358 105.409; 103.594; 93.729 | 3269 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540437 | CIF | C36 H44 Br Ir O P2 S2 | P 1 21/n 1 | 14.5417; 11.2071; 22.7055 90; 106.959; 90 | 3539.41 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540438 | CIF | C36 H44 Cl3 Ir P2 S2 | P 1 21/c 1 | 12.4862; 13.6671; 23.602 90; 118.383; 90 | 3543.52 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540439 | CIF | C31 H36 Cl F6 Ir O6 P2 S4 | C 1 2/c 1 | 29.3975; 17.9182; 23.5916 90; 122.649; 90 | 10463.3 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540440 | CIF | C31 H38 Cl F6 Ir O7 P2 S4 | C 1 2/c 1 | 27.4764; 20.4688; 18.4422 90; 112.874; 90 | 9556.4 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540441 | CIF | C15.19 H10.98 Ca O6 S | P 1 21/n 1 | 11.8013; 5.5827; 22.723 90; 100.092; 90 | 1473.9 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540442 | CIF | C14.6 H9.36 Ca O6 S | P 1 21/n 1 | 11.7292; 5.5685; 22.792 90; 100.493; 90 | 1463.7 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540443 | CIF | C14.63 H9.47 Ca O6 S | P 1 21/n 1 | 11.715; 5.5679; 22.8208 90; 100.532; 90 | 1463.48 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540444 | CIF | C15.58 H11.8 Ca O6 S | P 1 21/n 1 | 11.8767; 5.5769; 22.486 90; 99.893; 90 | 1467.2 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540445 | CIF | C14.5 H9.34 Ca O6 S | P 1 21/n 1 | 11.7073; 5.5647; 22.83 90; 100.586; 90 | 1462 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540446 | CIF | C15.31 H11.5 Ca O6 S | P 1 21/n 1 | 11.6426; 5.5574; 22.8446 90; 100.681; 90 | 1452.5 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540447 | CIF | C14.72 H9.79 Ca O6 S | P 1 21/n 1 | 11.6884; 5.5643; 22.8159 90; 100.691; 90 | 1458.14 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540455 | CIF | C94 H100 Au2 Cl6 Fe4 N8 | C 1 2/c 1 | 27.57803; 11.91923; 27.111 90; 95.085; 90 | 8876.6 | Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K. Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1245-1256 |
| 1540456 | CIF | C50 H48 Au Fe4 I N4 | P -1 | 12.3866; 12.62423; 15.23356 90.566; 98.3173; 114.321 | 2141.5 | Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K. Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1245-1256 |
| 1540457 | CIF | C31 H56 Cl2 N10 | P 1 21/m 1 | 5.8762; 23.96; 12.4969 90; 91.956; 90 | 1758.5 | Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L. s-Heptazine oligomers: promising structural models for graphitic carbon nitride Chem. Sci., 2016, 7, 945 |
| 1540458 | CIF | C60 H91 N21 O4 | P 1 21/c 1 | 21.414; 11.9388; 25.308 90; 96.333; 90 | 6430.7 | Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L. s-Heptazine oligomers: promising structural models for graphitic carbon nitride Chem. Sci., 2016, 7, 945 |
| 1540459 | CIF | C23 H41 Cl Ni O3 P2 | P 1 21/c 1 | 14.485; 7.985; 23.646 90; 106.418; 90 | 2623.4 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540460 | CIF | C23 H41 Cl Ni O2 P2 | P 1 21/n 1 | 9.8433; 19.618; 13.982 90; 105.052; 90 | 2607.4 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540461 | CIF | C23 H42 Ni O3 P2 | P 1 21/n 1 | 9.756; 19.408; 14.026 90; 104.528; 90 | 2570.8 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540462 | CIF | C23 H42 Ni O2 P2 | P 1 21/n 1 | 9.528; 20.201; 13.434 90; 100.908; 90 | 2539 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540463 | CIF | C30 H56 Ni O2 P2 | P 1 21/n 1 | 15.131; 12.589; 17.529 90; 106.717; 90 | 3197.9 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540464 | CIF | C25 H44 B F4 N Ni O2 P2 | P 1 21/m 1 | 7.6473; 12.5571; 15.1719 90; 92.552; 90 | 1455.5 | Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci., 2016, 7, 117 |
| 1540467 | CIF | C17 H11 N3 O6 | P 1 21/c 1 | 9.9877; 15.1541; 10.2131 90; 103.161; 90 | 1505.2 | Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon Synergistic catalysis: cis-cyclopropanation of benzoxazoles Chem. Sci., 2016, 7, 984 |
| 1540485 | CIF | C29 H39 Cl O3 P2 Pd | P 21 21 21 | 10.278; 15.524; 18.474 90; 90; 90 | 2947.6 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540486 | CIF | C25 H45 F6 O3 P3 Pd | P -1 | 8.338; 13.576; 14.319 81.992; 83.829; 75.466 | 1549.2 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540487 | CIF | C31 H51 Cl2 F6 N O3 P3 Pd | C 1 c 1 | 8.2128; 22.725; 20.504 90; 100.299; 90 | 3765.1 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540488 | CIF | C35 H47 Cl5 F6 O5 P3 Pd | P 1 21/c 1 | 11.521; 16.475; 22.564 90; 99.836; 90 | 4219.9 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide–palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540489 | CIF | C38 H44 F12 N O3 P3 Pd | P b c a | 14.361; 22.678; 25.532 90; 90; 90 | 8315 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
| 1540492 | CIF | C10 H26 Fe2 N2 O18 | P 1 21/n 1 | 8.2586; 15.8638; 9.4209 90; 113.19; 90 | 1134.5 | Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework Chem. Sci., 2016, 7, 1349 |
| 1540493 | CIF | C10 H26 Mg2 N2 O18 | P 1 21/n 1 | 8.292; 15.688; 9.38 90; 114.8; 90 | 1107.7 | Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework Chem. Sci., 2016, 7, 1349 |
| 1540494 | CIF | C35 H30 | P 1 21/n 1 | 7.3879; 15.852; 41.261 90; 90.675; 90 | 4831.9 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540495 | CIF | C44 H39 N | R -3 :H | 18.861; 18.861; 7.446 90; 90; 120 | 2294 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540496 | CIF | C49 H42 | C 1 2/c 1 | 29.026; 7.501; 33.242 90; 104.96; 90 | 6992 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540497 | CIF | C62.9 H62.9 Cl2.71 | P b c a | 14.3269; 17.0916; 42.481 90; 90; 90 | 10402.3 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540498 | CIF | C63 H54 | P 1 21/n 1 | 22.263; 7.4477; 28.978 90; 109.502; 90 | 4529.1 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540499 | CIF | C39 H30 | P b c a | 16.2912; 15.2859; 43.96 90; 90; 90 | 10947.2 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
| 1540500 | CIF | C15 H14 N2 O3 S | P 21 21 21 | 6.182; 8.842; 26.31 90; 90; 90 | 1438 | Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro Chiral Brønsted acid-catalyzed enantioselective Friedel–Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ Chem. Sci., 2016, 7, 1057 |
| 1540515 | CIF | C47 H55 N | P -1 | 14.501; 20.18; 22.027 62.892; 84.149; 77.27 | 5597 | Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei Thermodynamic synthesis of solution processable ladder polymers Chem. Sci., 2016, 7, 881 |
| 1540516 | CIF | C24 H18 B Cl3 F6 N2 O5 | P -1 | 10.3672; 15.451; 17.504 84.827; 78.441; 86.992 | 2734.1 | Ishihara, Kazuaki; Lu, Yanhui Boronic acid–DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines Chem. Sci., 2016, 7, 1276 |
| 1540517 | CIF | C45 H26 Cl2 F N5 | P 1 21/c 1 | 11.74; 21.882; 28.231 90; 92.244; 90 | 7247 | Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films Chem. Sci., 2016, 7, 1233 |
| 1540518 | CIF | C38 H35 N O Si | P 21 21 21 | 9.568; 14.645; 21.564 90; 90; 90 | 3021.6 | Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones Chem. Sci., 2016, 7, 1205 |
| 1540519 | CIF | C28 H36 S2 | P -1 | 6.7057; 9.395; 10.2135 75.517; 77.083; 71.249 | 582.7 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540520 | CIF | C28 H36 S2 | P -1 | 6.1837; 9.106; 11.6714 67.24; 76.721; 79.135 | 586.18 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540521 | CIF | C28 H32 O2 S2 | P -1 | 5.4552; 9.113; 24.9685 80.515; 88.025; 77.197 | 1193.85 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540522 | CIF | C28 H32 O2 S2 | P 1 21/n 1 | 11.2121; 10.8647; 19.8947 90; 92.346; 90 | 2421.46 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540523 | CIF | C26 H26 S2 | C 1 2/c 1 | 21.1876; 4.6865; 20.8975 90; 91.004; 90 | 2074.71 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540531 | CIF | C25 H29 Cl N O P Pd | P 1 21/n 1 | 16.151; 9.5824; 16.403 90; 111.38; 90 | 2363.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540532 | CIF | C47 H65 N O5 | C 1 2 1 | 35.188; 7.4837; 16.526 90; 98.87; 90 | 4299.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)–H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540538 | CIF | C150.25 H144 Cl4.5 Mn12 N24 O56 | P 1 21/c 1 | 34.19; 32.89; 44.013 90; 110.32; 90 | 46413 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540539 | CIF | C65 H86 Mn6 N10 O26 | C 1 2/c 1 | 16.0232; 41.093; 13.0506 90; 110.908; 90 | 8027.2 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540540 | CIF | C80 H98 Cl10 Mn6 N10 O32 | P -1 | 16.7797; 16.9615; 20.538 93.849; 105.068; 116.263 | 4948.4 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540541 | CIF | C206 H252 Cl44 Mn12 N24 O48 | C 1 2/c 1 | 42.112; 26.498; 30.5334 90; 127.707; 90 | 26956 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540542 | CIF | C58 H94 Au B F4 N2 O3 | P -1 | 12.4983; 12.6057; 18.1384 98.507; 92.517; 95.084 | 2810.4 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540543 | CIF | C60 H98 Au N2 O3.5 | C 1 2/c 1 | 20.0066; 16.2975; 20.6068 90; 119.023; 90 | 5875.3 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540544 | CIF | C50 H74 Au B Cl4 F4 N2 | P 1 21/c 1 | 15.393; 14.569; 24.605 90; 106.993; 90 | 5277 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540545 | CIF | C27 H43 B Cl Mg N6 | P 1 21 1 | 9.726; 17.928; 17.689 90; 90.136; 90 | 3084 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540546 | CIF | C24 H40 B F Mg N6 | P 1 21/n 1 | 9.422; 30.397; 9.544 90; 98.992; 90 | 2699.8 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540547 | CIF | C24 H40 B I Mg N6 | P 1 21/n 1 | 10.469; 16.987; 16.162 90; 91.359; 90 | 2873.4 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540548 | CIF | C27 H43 B Br Mg N6 | P 1 21 1 | 9.724; 18.118; 17.751 90; 90.132; 90 | 3127 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540553 | CIF | C18 H20 N2 O5 S | P 1 21 1 | 6.7708; 15.0499; 18.2635 90; 98.942; 90 | 1838.43 | Oda, Susumu; Franke, Jana; Krische, Michael J. Diene hydroaminomethylation via ruthenium-catalyzed C–C bond forming transfer hydrogenation: beyond carbonylation Chem. Sci., 2016, 7, 136 |
| 1540554 | CIF | C40 H56 B P | P -1 | 10.311; 18.895; 20.77 69.618; 85.946; 76.898 | 3694.3 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540555 | CIF | C40 H56 B P | P -1 | 10.5582; 19.131; 20.915 68.892; 85.501; 77.175 | 3842.8 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540556 | CIF | C40 H56 B P | P 1 21/n 1 | 12.1401; 36.975; 17.688 90; 102.611; 90 | 7748.2 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540557 | CIF | C40 H56 B P | P -1 | 10.1868; 18.7141; 20.7566 70.748; 86.972; 76.006 | 3623.3 | Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci., 2016, 7, 1527 |
| 1540558 | CIF | C40.75 H30.5 Au Cl1.5 Cr N O9 P S | P -1 | 13.4225; 14.2249; 24.728 74.619; 89.572; 62.126 | 3986.3 | Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V. First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111). Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1422-1429 |
| 1540560 | CIF | C64.5 H54 Cl8 I3 O2 Os P3 | P 1 21/c 1 | 12.9311; 22.2426; 23.2785 90; 102.771; 90 | 6529.8 | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci., 2016, 7, 1815 |
| 1540561 | CIF | C64 H53 Br8 Cl2 O2 Os P3 | P 1 21/c 1 | 13.0217; 22.2992; 23.1406 90; 102.857; 90 | 6551 | Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci., 2016, 7, 1815 |
| 1540562 | CIF | C42 H53 Dy N2 O P2 Si2 | P 1 21/m 1 | 10.47242; 19.20658; 10.61743 90; 94.0778; 90 | 2130.18 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540563 | CIF | C62 H77 N4 P4 Si4 Y | C 1 2/c 1 | 31.667; 25.7439; 20.938 90; 132.786; 90 | 12527 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540564 | CIF | C62 H77 Dy N4 P4 Si4 | C 1 2/c 1 | 31.7145; 25.723; 20.9468 90; 132.69; 90 | 12560.4 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540565 | CIF | C90 H132 K N4 O10 P4 Si4 Y | P -1 | 15.1169; 15.282; 21.1716 98.667; 94.975; 93.716 | 4801.8 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540566 | CIF | C90 H132 Dy K N4 O10 P4 Si4 | P -1 | 15.1483; 15.3041; 21.1587 98.844; 95.182; 93.576 | 4812.6 | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci., 2016, 7, 155 |
| 1540567 | CIF | C148 H170 Au25 O2 S36 | P -1 | 16.174; 17.746; 17.83 65; 64; 81 | 4166 | Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci., 2016, 7, 1882 |
| 1540568 | CIF | C144 H180 Au25 F6 P S18 | P -1 | 16.8533; 17.775; 18.2364 93.765; 114.867; 112.147 | 4424.4 | Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci., 2016, 7, 1882 |
| 1540579 | CIF | C26 H29 F3 N2 O5 | P 21 21 21 | 7.9683; 12.0495; 25.4584 90; 90; 90 | 2444.36 | Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu Chemo- and regioselective oxygenation of C(sp3)–H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen Chem. Sci., 2016, 7, 1904 |
| 1540581 | CIF | C23 H34 N2 O | P -1 | 6.1983; 9.7636; 17.0724 75.866; 84.107; 87.755 | 996.5 | Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F. Dichotomous mechanistic behavior in Narasaka–Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals Chem. Sci., 2016, 7, 1508 |
| 1540582 | CIF | C26.75 H24 F3 N O2 | P -1 | 9.6325; 13.413; 18.8693 96.651; 91.573; 109.521 | 2276.6 | Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479 |
| 1540583 | CIF | C54 H31 B F20 N O Rh | P -1 | 11.854; 13.0781; 16.154 79.702; 80.128; 73.163 | 2339.2 | Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479 |
| 1540585 | CIF | C109.5 H36 N3 S5 Sc3 | P -1 | 10.9903; 17.558; 19.758 99.562; 105.779; 107.217 | 3376.1 | Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct Chem. Sci., 2016, 7, 2331 |
| 1540586 | CIF | C11 H7 F3 I N | P 1 21/c 1 | 7.7762; 19.2554; 7.6287 90; 98.728; 90 | 1129.05 | Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex Chem. Sci., 2016, 7, 2030 |
| 1540650 | CIF | C16 H26 Br2 Fe N4 | P 1 21/c 1 | 7.7264; 17.285; 14.927 90; 94.081; 90 | 1988.5 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
| 1540651 | CIF | C11 H24 Br2 Fe N4 | P n a 21 | 16.3535; 12.5257; 7.6117 90; 90; 90 | 1559.2 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
| 1540652 | CIF | C27 H63 Br6 Fe3 N9 | P b c a | 22.0243; 16.0659; 23.6931 90; 90; 90 | 8383.6 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
| 1540653 | CIF | C30 H47 Cl N2 Pd | P 1 21/n 1 | 15.919; 11.3592; 17.894 90; 114.701; 90 | 2939.7 | Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end Polym. Chem., 2016, 7, 529 |
| 1540654 | CIF | C64 H62 B F24 N3 O0.5 Pd | P -1 | 12.1356; 13.0597; 22.3007 103.235; 98.496; 101.575 | 3300.29 | Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end Polym. Chem., 2016, 7, 529 |
| 1540655 | CIF | C22 H14 Co In O8 | I -4 3 d | 20.447; 20.447; 20.447 90; 90; 90 | 8548.48 | Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J. Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Chem. Sci., 2016, 7, 2037 |
| 1540656 | CIF | C12 H4 Co0.28 In O8 | I -4 3 d | 20.4031; 20.4031; 20.4031 90; 90; 90 | 8493.53 | Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J. Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Chem. Sci., 2016, 7, 2037 |
| 1540657 | CIF | C17 H23 F2 N O5 S | C 1 2/c 1 | 38.0429; 5.96446; 19.5829 90; 120.924; 90 | 3811.83 | Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization Chem. Sci., 2016, 7, 2106 |
| 1540658 | CIF | C14 H14 F4 O5 S | P 1 21/n 1 | 8.1328; 19.0087; 10.727 90; 104.653; 90 | 1604.39 | Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio Successive C–C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization Chem. Sci., 2016, 7, 2106 |
| 1540659 | CIF | C104.2 H58 F20 N8 O1.45 S4 | C 1 2/c 1 | 56.36; 9.525; 42.145 90; 119.716; 90 | 19649 | Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit Chem. Sci., 2016, 7, 2239 |
| 1540660 | CIF | C32 H44 N2 Ni O2 | P 1 21/c 1 | 10.2568; 19.4457; 15.3511 90; 107.575; 90 | 2918.9 | Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci., 2016, 7, 1807 |
| 1540661 | CIF | C56 H73 N3 Ni O | P 21 21 21 | 15.7714; 17.0164; 18.6084 90; 90; 90 | 4994 | Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci., 2016, 7, 1807 |
| 1540662 | CIF | C54 H65 N3 Ni O2 | P 1 21/c 1 | 10.3735; 18.252; 24.6774 90; 97.1921; 90 | 4635.6 | Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci., 2016, 7, 1807 |
| 1540680 | CIF | C84 H52 Cl14 Co N6 S2 | P -1 | 13.593; 17.194; 18.45 99.319; 100.076; 107.842 | 3933 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540681 | CIF | C84 H52 Cl14 Co N6 S2 | P -1 | 13.593; 17.194; 18.45 99.319; 100.076; 107.842 | 3933 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540682 | CIF | C94 H72 Co N6 O4 S10 | C 1 2/m 1 | 13.8432; 20.8218; 14.0803 90; 96.987; 90 | 4028.4 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540683 | CIF | C94 H72 Co N6 O4 S10 | C 1 2/m 1 | 13.8432; 20.8218; 14.0803 90; 96.987; 90 | 4028.4 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540684 | CIF | C84 H72 Co N6 S2 | C 1 2/c 1 | 31.601; 21.039; 27.275 90; 121.629; 90 | 15440 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540685 | CIF | C84 H72 Co N6 S2 | C 1 2/c 1 | 31.601; 21.039; 27.275 90; 121.629; 90 | 15440 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540686 | CIF | C74 H64 Co N14 S2 | P -1 | 11.653; 13.567; 13.662 94.5; 94.78; 111.12 | 1994.1 | Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci., 2016, 7, 2286 |
| 1540695 | CIF | C21 H16 F N O6 S2 | P 1 21/n 1 | 11.045; 12.916; 14.84 90; 111.48; 90 | 1970 | Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang Aminofluorination: transition-metal-free N–F bond insertion into diazocarbonyl compounds Chem. Sci., 2016, 7, 1786 |
| 1540697 | CIF | C27 H34 As Dy | P 1 21/n 1 | 8.1717; 24.8088; 11.6477 90; 94.354; 90 | 2354.52 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540698 | CIF | C70 H83 As3 Dy3 | C 1 c 1 | 14.9242; 18.6105; 23.7155 90; 103.461; 90 | 6406 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540699 | CIF | C99 H147 As3 Dy3 Li3 O9 | P 1 21/c 1 | 22.451; 15.8357; 28.0477 90; 95.47; 90 | 9926.3 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540700 | CIF | C70 H83 Dy3 Se3 | C 1 c 1 | 14.8845; 18.4953; 23.4214 90; 103.098; 90 | 6280 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540701 | CIF | C70 H83 Se3 Y3 | C 1 c 1 | 14.9029; 18.4253; 23.423 90; 103.035; 90 | 6266 | Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci., 2016, 7, 2128 |
| 1540707 | CIF | C21 H16 F2 N4 O4 | P b c a | 24.4634; 6.1982; 25.443 90; 90; 90 | 3857.9 | Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko Catalytic activation of a single C–F bond in trifluoromethyl arenes Chem. Sci., 2016, 7, 505 |
| 1540708 | CIF | C32 H38 Cs3 O6 | C 1 2/c 1 | 23.597; 14.073; 19.874 90; 93.283; 90 | 6588.9 | Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Supramolecular trap for a transient corannulene trianion Chem. Sci., 2016, 7, 1954 |
| 1540715 | CIF | C44 H44 N4 O23 Sr2 | I 41/a | 28.4784; 28.4784; 13.6334 90; 90; 90 | 11057 | Garai, Bikash; Mallick, Arijit; Banerjee, Rahul Photochromic metal‒organic frameworks for inkless and erasable printing Chem. Sci., 2016, 7, 2195 |
| 1540716 | CIF | C17 H19 F6 N2 O P S2 | P -1 | 7.645; 11.246; 12.326 95.39; 105.282; 93.459 | 1013.7 | Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues Chem. Sci., 2016, 7, 2257 |
| 1540719 | CIF | C61 H44 Cl3 N7 O11 | P 21 21 21 | 9.617; 16.2; 37.85 90; 90; 90 | 5897 | Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors Chem. Sci., 2016, 7, 2016 |
| 1540747 | CIF | C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 | P 1 21/c 1 | 15.0884; 31.4527; 18.2241 90; 104.352; 90 | 8378.7 | Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin Cationic nickel porphyrinoids with unexpected reactivity Chem. Sci., 2016, 7, 583 |
| 1540748 | CIF | C42 H72 Fe K2 O15 S10 | P 1 n 1 | 9.666; 17.7362; 17.9259 90; 104.302; 90 | 2977.9 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1540749 | CIF | C56 H43 Fe N P2 S10 | P -1 | 9.5532; 16.9392; 19.2199 64.7735; 78.6184; 78.0782 | 2731.85 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1540750 | CIF | C38 H72 Fe N2 S10 | P 1 21/c 1 | 8.573; 32.0602; 17.6411 90; 98.509; 90 | 4795.3 | Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci., 2016, 7, 416 |
| 1540845 | CIF | O3 U | P m -3 m | 4.165; 4.165; 4.165 90; 90; 90 | 72.251 | Weller, M.T.; Penny, D.J.; Dickens, P.G. The structure of delta - U O3 Polyhedron, 1988, 7, 243-244 |
| 1540855 | CIF | Ce0.5 Cu2 Mn Nd1.5 O9 Sr2 | I 4/m m m | 3.823; 3.823; 28.20999 90; 90; 90 | 412.298 | Wu, X.; Qian, Y.; Chen, Z. Synthesis and structure character of (Nd Ce)2 Sr2 Cu2 Mn O10-d Huaxue Yanjiu Yu Yingyong (Chem. Research and Application), 1995, 7, 308-312 |
| 1540863 | CIF | Al55.5 O384 Si136.5 Sr26.56 | F d -3 m :2 | 24.8482; 24.8482; 24.8482 90; 90; 90 | 15342.1 | van Dun, J.J.; Mortier, W.J. Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites Zeolites, 1987, 7, 528-534 |
| 1540864 | CIF | Al55.5 H80 O424 Si136.5 Sr11.2 | F d -3 m :2 | 24.8482; 24.8482; 24.8482 90; 90; 90 | 15342.1 | van Dun, J.J.; Mortier, W.J. Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites Zeolites, 1987, 7, 528-534 |
| 1540865 | CIF | Al55.5 H69.76 O418.88 Si136.5 Sr26.24 | F d -3 m :2 | 24.8482; 24.8482; 24.8482 90; 90; 90 | 15342.1 | van Dun, J.J.; Mortier, W.J. Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites Zeolites, 1987, 7, 528-534 |
| 1540866 | CIF | Al55.5 H33.28 O400.64 Si136.5 Sr26.08 | F d -3 m :2 | 24.8482; 24.8482; 24.8482 90; 90; 90 | 15342.1 | van Dun, J.J.; Mortier, W.J. Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites Zeolites, 1987, 7, 528-534 |
| 1541045 | CIF | O7 P2 Si | P a -3 | 22.418; 22.418; 22.418 90; 90; 90 | 11266.5 | Tillmanns, E.; Baur, W.H.; Gebert, W. Computer simulation of crystal structures applied to the solution of the superstructure of cubic silicondiphosphate Journal of Solid State Chemistry, 1973, 7, 69-84 |
| 1541308 | CIF | Ga5.33 H15.3 Na6.03 O32 Si6.67 | P -4 3 n | 8.8475; 8.8475; 8.8475 90; 90; 90 | 692.567 | Newsam, J.M.; Jorgensen, J.D. Gallosilicate sodalite - further syntheses and structural details Zeolites, 1987, 7, 569-573 |
| 1541444 | CIF | Co0.935 Li0.065 O | F m -3 m | 4.236; 4.236; 4.236 90; 90; 90 | 76.009 | Johnston, W.D.; Heikes, R.R.; Sestrich, D.E. The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System Journal of Physics and Chemistry of Solids, 1958, 7, 1-13 |
| 1541446 | CIF | Co0.885 Li0.115 O | F m -3 m | 4.216; 4.216; 4.216 90; 90; 90 | 74.938 | Johnston, W.D.; Heikes, R.R.; Sestrich, D.E. The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System Journal of Physics and Chemistry of Solids, 1958, 7, 1-13 |
| 1541448 | CIF | Co0.875 Li0.125 O | F m -3 m | 4.212; 4.212; 4.212 90; 90; 90 | 74.725 | Johnston, W.D.; Heikes, R.R.; Sestrich, D.E. The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System Journal of Physics and Chemistry of Solids, 1958, 7, 1-13 |
| 1541449 | CIF | Co0.86 Li0.14 O | F m -3 m | 4.206; 4.206; 4.206 90; 90; 90 | 74.406 | Johnston, W.D.; Heikes, R.R.; Sestrich, D.E. The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System Journal of Physics and Chemistry of Solids, 1958, 7, 1-13 |
| 1541450 | CIF | Co0.815 Li0.185 O | F m -3 m | 4.185; 4.185; 4.185 90; 90; 90 | 73.297 | Johnston, W.D.; Sestrich, D.E.; Heikes, R.R. The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System Journal of Physics and Chemistry of Solids, 1958, 7, 1-13 |
| 1541451 | CIF | Co0.79 Li0.21 O | F m -3 m | 4.174; 4.174; 4.174 90; 90; 90 | 72.721 | Johnston, W.D.; Heikes, R.R.; Sestrich, D.E. The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System Journal of Physics and Chemistry of Solids, 1958, 7, 1-13 |
| 1541597 | CIF | Cu Mn2 O4 | F d -3 m :1 | 8.3; 8.3; 8.3 90; 90; 90 | 571.787 | Zaslavskii, A.I.; Karachentseva, Z.V.; Zharinova, A.I. The cation disposition in the spinel Cu Mn2 O4 Kristallografiya, 1962, 7, 835-843 |
| 1541621 | CIF | Ni O6 Sr2 W | F m -3 m | 7.908; 7.908; 7.908 90; 90; 90 | 494.538 | Kupriyanov, M.F.; Fesenko, E.G. X-ray structural studies of phase transitions in perovskite-type compounds Kristallografiya, 1962, 7, 451-453 |
| 1541622 | CIF | Co O6 Sr2 W | F m -3 m | 7.904; 7.904; 7.904 90; 90; 90 | 493.788 | Kupriyanov, M.F.; Fesenko, E.G. X-ray structural studies of phase transitions in perovskite-type compounds Kristallografiya, 1962, 7, 451-453 |
| 1541623 | CIF | O6 Sr2 W Zn | F m -3 m | 7.956; 7.956; 7.956 90; 90; 90 | 503.598 | Kupriyanov, M.F.; Fesenko, E.G. X-ray structural studies of phase transitions in perovskite-type compounds Kristallografiya, 1962, 7, 451-453 |
| 1541624 | CIF | Mo Ni O6 Sr2 | F m -3 m | 7.878; 7.878; 7.878 90; 90; 90 | 488.931 | Kupriyanov, M.F.; Fesenko, E.G. X-ray structural studies of phase transitions in perovskite-type compounds Kristallografiya, 1962, 7, 451-453 |
| 1541625 | CIF | Co Mo O6 Sr2 | F m -3 m | 7.918; 7.918; 7.918 90; 90; 90 | 496.417 | Kupriyanov, M.F.; Fesenko, E.G. X-ray structural studies of phase transitions in perovskite-type compounds Kristallografiya, 1962, 7, 451-453 |
| 1541626 | CIF | Mo O6 Sr2 Zn | F m -3 m | 7.954; 7.954; 7.954 90; 90; 90 | 503.219 | Kupriyanov, M.F.; Fesenko, E.G. X-ray structural studies of phase transitions in perovskite-type compounds Kristallografiya, 1962, 7, 451-453 |
| 1541658 | CIF | H4 K4 O18 S4 Th | C -1 | 10.096; 16.752; 9.762 95.15; 95.22; 91 | 1637 | Arutyunyan, E.G.; Porai-Koshits, M.A.; Molodkin, A.K. Structure of crystals of K4 (Th (S O4)4 (H2 O)2) Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1966, 7, 733-737 |
| 1541695 | CIF | Cd2 H6 O9 S2 | P 1 21/c 1 | 12.219; 10.574; 13.986 90; 103.61; 90 | 1756.3 | Kiers, C.T.; Vos, A. Cadmium sulfite hydrate 2 Cd S O3 * 3 H2 O Crystal Structure Communications, 1978, 7, 399-403 |
| 1541796 | CIF | I K O3 | I -4 3 m | 8.938; 8.938; 8.938 90; 90; 90 | 714.038 | Ozerov, R.P.; Rannev, N.V.; Pakhomov, V.I.; Rez, I.S.; Zhdanov, G.S. The structure of K I O3 at room temperature Kristallografiya, 1962, 7, 620-622 |
| 1541851 | CIF | N6 W7.08 | R -3 m :H | 2.89; 2.89; 23.35 90; 90; 120 | 168.894 | Khitrova, V.I. The chemical christallography of rhombohedral tungsten nitride II in relation to other nitrides Kristallografiya, 1962, 7, 374-378 |
| 1541883 | CIF | C14 H22 O4 | P 21 21 21 | 7.2942; 12.3961; 13.909 90; 90; 90 | 1257.6 | Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci., 2016, 7, 2717 |
| 1541884 | CIF | C24 H28 I N O9 | P 43 21 2 | 10.52245; 10.52245; 48.9522 90; 90; 90 | 5420.1 | Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci., 2016, 7, 2717 |
| 1541885 | CIF | C23 H35 Au N O P | P 1 21/n 1 | 9.3038; 14.9607; 16.6489 90; 91.195; 90 | 2316.9 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541886 | CIF | C28 H43 Au N O P | P 21 21 21 | 10.7215; 13.536; 19.0499 90; 90; 90 | 2764.6 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541887 | CIF | C23 H35 Cu N O P | P 1 21/n 1 | 9.1985; 15.0111; 16.6696 90; 90.736; 90 | 2301.5 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541888 | CIF | C81 H129 Au3 N3 P | R 3 2 :H | 23.2392; 23.2392; 27.9791 90; 90; 120 | 13086 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541889 | CIF | C49 H79 Cu N5 O P | P 1 21/n 1 | 12.6627; 16.2794; 23.264 90; 98.409; 90 | 4744.1 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541890 | CIF | C46 H70 Cu N2 O2 P | P 1 21/n 1 | 9.4619; 13.4134; 16.9001 90; 101.411; 90 | 2102.5 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir–η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541891 | CIF | C46 H43 Au B F15 N O P | P 43 21 2 | 14.7478; 14.7478; 40.2121 90; 90; 90 | 8746 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541892 | CIF | C96 H86 B2 Cu2 F30 N2 O2 P2 | C 1 2/c 1 | 26.7657; 16.5433; 21.479 90; 107.104; 90 | 9090.1 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541893 | CIF | C42 H59 Co N3 O3 P | P -1 | 10.1044; 14.1614; 15.802 111.476; 93.948; 104.766 | 2001.36 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541894 | CIF | C30 H35 Ir N3 O2 P | P 1 21/n 1 | 13.7808; 12.3485; 16.5685 90; 96.53; 90 | 2801.2 | Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci., 2016, 7, 2335 |
| 1541896 | CIF | C40.05 H38.1 Cl2 Fe N10 O11.35 | P 1 21/n 1 | 14.1613; 21.6112; 15.3855 90; 114.339; 90 | 4290.1 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541897 | CIF | C36 H30 Cl2 Fe N10 O10 | P 1 21/c 1 | 15.717; 20.127; 24.672 90; 90.353; 90 | 7804 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541898 | CIF | C39.75 H37.5 Cl2 Fe N10 O11.25 | P 1 21/n 1 | 14.165; 21.596; 15.414 90; 114.29; 90 | 4298 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541899 | CIF | C36 H30 Cl2 Fe N10 O10 | P 1 21/c 1 | 15.679; 20.102; 24.601 90; 90.221; 90 | 7754 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541900 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 13.073; 13.356; 14.075 71.88; 69.89; 70.65 | 2122.8 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541901 | CIF | C36 H30 Cl2 Fe N10 O10 | P 1 21/c 1 | 15.7; 20.035; 24.638 90; 90.45; 90 | 7750 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541902 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 13.0297; 13.2995; 14.0177 71.801; 69.822; 70.752 | 2097.8 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541903 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 12.906; 13.199; 14.759 71.402; 68.242; 67.214 | 2107 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541904 | CIF | C39 H36 Cl2 Fe N10 O11 | P -1 | 13.085; 13.381; 14.139 72.092; 69.882; 70.219 | 2135.6 | Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci., 2016, 7, 2907 |
| 1541905 | CIF | C59 H60 Al F6 N3 O2 | P -1 | 10.2264; 15.4589; 17.0819 73.0848; 88.2081; 86.3652 | 2578.2 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
| 1541906 | CIF | C51 H55 Al F3 N3 O | P -1 | 11.2001; 12.4244; 18.0337 101.41; 98.4568; 114.494 | 2163.42 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
| 1541915 | CIF | C80 H56 Co N2 O4 | P 1 21/c 1 | 11.4437; 8.9623; 29.228 90; 94.705; 90 | 2987.6 | Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands Chem. Sci., 2016, 7, 2793 |
| 1541916 | CIF | C81 H55 Cl3 Co N2 O4 | P 1 21/n 1 | 17.249; 16.9; 22.44 90; 108.612; 90 | 6199.3 | Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands Chem. Sci., 2016, 7, 2793 |
| 1541917 | CIF | C92 H89 N O20 Zn2 | I 1 2 1 | 18.9677; 19.9186; 31.739 90; 95.287; 90 | 11940.3 | Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid Chem. Sci., 2016, 7, 3085 |
| 1541930 | CIF | C18 H92 N18 Ni3 O52 Sb6 V15 | C 1 2 1 | 18.2404; 22.7636; 14.3542 90; 126.449; 90 | 4794.2 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541931 | CIF | C18 H90 Co3 N18 O51 Sb6 V15 | C 1 2 1 | 18.2302; 22.6142; 14.4067 90; 126.36; 90 | 4783 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541932 | CIF | C18 H90 Fe3 N18 O51 Sb6 V15 | C 1 2 1 | 18.1991; 22.626; 14.3614 90; 126.193; 90 | 4772.5 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541933 | CIF | C18 H72 N18 Ni3 O42 Sb6 V15 | P 3 2 1 | 23.7437; 23.7437; 14.9586 90; 90; 120 | 7303.3 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541938 | CIF | C5 Cs3 N5 O2 S5 U | P n m a | 13.629; 13.249; 11.556 90; 90; 90 | 2086.67 | Arutyunyan, E.G.; Porai-Koshits, M.A. Crystal Structure of Cs3 U O2 (N C S)5 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1966, 7, 393-398 |
| 1541976 | CIF | Bi0.3 Fe0.3 O3 Pb0.7 Ti0.7 | P m -3 m | 4; 4; 4 90; 90; 90 | 64 | Fedulov, S.A.; Venevtsev, Yu.N.; Zhdanov, G.S.; Smazhevskaya, E.G.; Rez, I.S. X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system Kristallografiya, 1962, 7, 77-83 |
| 1541978 | CIF | Bi0.8 Fe0.8 O3 Pb0.2 Ti0.2 | P m -3 m | 4.01; 4.01; 4.01 90; 90; 90 | 64.481 | Fedulov, S.A.; Venevtsev, Yu.N.; Zhdanov, G.S.; Smazhevskaya, E.G.; Rez, I.S. X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system Kristallografiya, 1962, 7, 77-83 |
| 1541980 | CIF | Al0.5 La0.5 O3 Pb0.5 Ti0.5 | P m -3 m | 3.87; 3.87; 3.87 90; 90; 90 | 57.961 | Fedulov, S.A.; Venevtsev, Yu.N.; Dzhmukhadze, D.F. X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system Kristallografiya, 1962, 7, 408-411 |
| 1541999 | CIF | Fe0.5 O3 Sr Ta0.5 | P m -3 m | 3.973; 3.973; 3.973 90; 90; 90 | 62.713 | Kupriyanov, M.F.; Fesenko, E.G. An X-ray study of the phase transition in Sr2 Fe Ta O6 Kristallografiya, 1962, 7, 315-316 |
| 1542061 | CIF | Cs3 F7 O2 V2 | P 63/m m c | 6.3346; 6.3346; 14.871 90; 90; 120 | 516.784 | Waltersson, K. The crystal structure of Cs3 V2 O2 F7 Crystal Structure Communications, 1978, 7, 507-511 |
| 1542107 | CIF | Mg0.2 O3 Pb Ti0.6 W0.2 | P m -3 m | 3.971; 3.971; 3.971 90; 90; 90 | 62.618 | Zaslavskii, A.I.; Bryzhina, M.F. An X-ray structural investigation of the antiferroelectric Pb2 Mg W O6 and the system of solid solutions Pb2 Mg W O6 - Pb Ti O3 Kristallografiya, 1962, 7, 709-717 |
| 1542121 | CIF | Cl6 H28 O14 Pr2 | P -1 | 8.232; 9.164; 7.984 107.45; 98.32; 71.44 | 543.887 | Habenschuss, A.; Spedding, F.H. Di-mue-chloro-bis(heptaaquapraseodymium(III)) tetrachloride Crystal Structure Communications, 1978, 7, 535-541 |
| 1542125 | CIF | Na O3 Ta | P m -3 m | 3.931; 3.931; 3.931 90; 90; 90 | 60.745 | Ismailzade, I.G. An X-ray diffraction study of phase transitions in sodium tantalate Kristallografiya, 1962, 7, 718-723 |
| 1542193 | CIF | Bi0.5 Fe0.5 O3 Pb0.5 Ti0.5 | P 4/m m m | 3.88; 3.88; 4.37 90; 90; 90 | 65.788 | Fedulov, S.A.; Zhdanov, G.S.; Venevtsev, Yu.N.; Smazhevskaya, E.G.; Rez, I.S. X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system Kristallografiya, 1962, 7, 77-83 |
| 1542250 | CIF | F4 K2 O V | P n 21 a | 7.403; 5.65; 11.443 90; 90; 90 | 478.626 | Waltersson, K.; Karlsson, B. K2 V O F4 Crystal Structure Communications, 1978, 7, 459-462 |
| 1542253 | CIF | C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 | I 21 3 | 31.4049; 31.4049; 31.4049 90; 90; 90 | 30973.6 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542254 | CIF | C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 | I 21 3 | 31.495; 31.495; 31.495 90; 90; 90 | 31241 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542255 | CIF | C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 | I 21 3 | 31.3834; 31.3834; 31.3834 90; 90; 90 | 30910.1 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542256 | CIF | C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 | I 21 3 | 31.4527; 31.4527; 31.4527 90; 90; 90 | 31115 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542257 | CIF | C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 | I 21 3 | 31.493; 31.493; 31.493 90; 90; 90 | 31235 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542258 | CIF | C47.41 H49.41 Cl22.23 N6 O Pd3 | I -4 3 d | 31.3274; 31.3274; 31.3274 90; 90; 90 | 30744.9 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542259 | CIF | C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 | I 21 3 | 31.3922; 31.3922; 31.3922 90; 90; 90 | 30936.1 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542260 | CIF | C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 | I 21 3 | 31.3469; 31.3469; 31.3469 90; 90; 90 | 30802.3 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542261 | CIF | C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 | I 21 3 | 31.4043; 31.4043; 31.4043 90; 90; 90 | 30971.9 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542262 | CIF | C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 | I 21 3 | 31.4477; 31.4477; 31.4477 90; 90; 90 | 31100.4 | Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci., 2016, 7, 2217 |
| 1542263 | CIF | C24.5 H17 Cl N O S0.5 | P b c n | 15.9195; 13.7674; 17.3771 90; 90; 90 | 3808.54 | Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci., 2016, 7, 2201 |
| 1542264 | CIF | C36 H24 N2 O2 S3 | P 1 21/n 1 | 8.1912; 20.1704; 18.0457 90; 97.807; 90 | 2953.87 | Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci., 2016, 7, 2201 |
| 1542265 | CIF | C42 H28 N2 O2 S2 | P 1 21/c 1 | 19.365; 12.947; 13.257 90; 106.41; 90 | 3188.4 | Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci., 2016, 7, 2201 |
| 1542271 | CIF | C18 H34 Cr N4 | P b c a | 11.3075; 17.5868; 20.908 90; 90; 90 | 4157.8 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
| 1542272 | CIF | C77 H150 Cr2 K2 N12 O12 | P -1 | 13.565; 13.6133; 14.3228 117.74; 103.515; 90.421 | 2255.3 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
| 1542273 | CIF | C20 H36 Cr N4 O | P b c a | 16.6334; 14.8352; 18.1191 90; 90; 90 | 4471.1 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
| 1542274 | CIF | C23 H42 Cr N4 O | P 1 21/c 1 | 10.3071; 27.649; 18.4003 90; 99.891; 90 | 5165.8 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
| 1542275 | CIF | C21 H22 N4 O | P c c n | 20.862; 10.4975; 16.69 90; 90; 90 | 3655.1 | Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3– rich polyheterocycles from simple pyrroles Chem. Sci., 2016, 7, 2302 |
| 1542276 | CIF | C25 H28 N4 O5 S | P 1 c 1 | 7.4546; 18.7124; 34.4314 90; 91.776; 90 | 4800.6 | Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3– rich polyheterocycles from simple pyrroles Chem. Sci., 2016, 7, 2302 |
| 1542277 | CIF | C25 H29 N3 O3 S | P 1 21/n 1 | 13.2995; 10.5425; 16.004 90; 93.024; 90 | 2240.8 | Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3– rich polyheterocycles from simple pyrroles Chem. Sci., 2016, 7, 2302 |
| 1542280 | CIF | C10 H16 N6 Na O6 V | P -1 | 7.9375; 8.7365; 12.1972 102.684; 107.187; 103.796 | 745.41 | Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L. Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution Chem. Sci., 2016, 7, 2775 |
| 1542281 | CIF | C5 H7 N3 Na O4 V | P 1 21/c 1 | 15.0543; 5.507; 10.1794 90; 101.569; 90 | 826.77 | Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L. Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution Chem. Sci., 2016, 7, 2775 |
| 1542282 | CIF | C12 H26 Ga2 O6 | P 1 21/c 1 | 8.15438; 8.28026; 12.8297 90; 92.0637; 90 | 865.7 | Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem., 2016, 7, 2022 |
| 1542283 | CIF | C12 H26 In2 O6 | P 1 | 6.9927; 8.3025; 8.4128 76.086; 83.924; 87.628 | 471.36 | Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem., 2016, 7, 2022 |
| 1542284 | CIF | C12 H26 In2 O6 | P 1 21/c 1 | 8.27; 8.4677; 13.1476 90; 91.014; 90 | 920.55 | Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem., 2016, 7, 2022 |
| 1542285 | CIF | C18 H28 Ga2 N2 O2 | P 1 2/n 1 | 8.0739; 8.5229; 14.463 90; 97.288; 90 | 987.2 | Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M. Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides Polym. Chem., 2016, 7, 2022 |
| 1542294 | CIF | C48 H66 S3 Si2 | P -1 | 9.8336; 14.2701; 16.3902 83.637; 85.505; 83.306 | 2265.2 | Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci., 2016, 7, 3036 |
| 1542295 | CIF | C50 H66 S4 Si2 | P -1 | 7.4217; 19.0953; 19.1877 63.238; 89.851; 79.162 | 2374.2 | Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci., 2016, 7, 3036 |
| 1542296 | CIF | C52 H66 S5 Si2 | P -1 | 14.9964; 18.3543; 19.3746 96.6629; 99.0302; 98.7364 | 5151.9 | Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci., 2016, 7, 3036 |
| 1542297 | CIF | C54 H68 S4 Si2 | P 1 21/n 1 | 6.9436; 21.6735; 33.9795 90; 94.396; 90 | 5098.6 | Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci., 2016, 7, 3036 |
| 1542298 | CIF | C50 H34 N2 Se | P 1 21/c 1 | 10.2218; 9.8805; 20.3205 90; 117.561; 90 | 1819.4 | Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion Chem. Sci., 2016, 7, 2888 |
| 1542299 | CIF | C57 H59 F6 Ir N7 P | P 1 21/n 1 | 14.9598; 22.5882; 16.6294 90; 112.453; 90 | 5193.3 | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci., 2016, 7, 3123 |
| 1542300 | CIF | C42 H40 F3 Ir N6 O3 S3 | P b c a | 13.346; 19.6302; 30.1437 90; 90; 90 | 7897.2 | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci., 2016, 7, 3123 |
| 1542301 | CIF | C42 H40 F3 Ir N6 O3 S3 | P -1 | 15.8141; 16.3895; 18.8888 67.048; 67.5521; 82.559 | 4165.4 | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci., 2016, 7, 3123 |
| 1542302 | CIF | C44 H44 F3 Ir N6 O3 S3 | P -1 | 11.6716; 12.4594; 14.7489 74.683; 86.255; 83.689 | 2054.6 | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci., 2016, 7, 3123 |
| 1542307 | CIF | C22 H18 N2 O3 | C 1 2/c 1 | 23.4378; 11.3628; 14.9029 90; 117.124; 90 | 3532.43 | Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J. The total synthesis of K-252c (staurosporinone) via a sequential C–H functionalisation strategy Chem. Sci., 2016, 7, 2706 |
| 1542308 | CIF | C14 H10 Br N O4 S | P -1 | 7.608; 9.473; 9.93 99.76; 96.941; 90.08 | 700 | Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata Directing group assisted meta-hydroxylation by C–H activation Chem. Sci., 2016, 7, 3147 |
| 1542309 | CIF | C16 H12 F N O5 S | P -1 | 8.087; 8.59; 11.637 87.857; 79.184; 79.188 | 779.9 | Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata Directing group assisted meta-hydroxylation by C–H activation Chem. Sci., 2016, 7, 3147 |
| 1542310 | CIF | C16 H12 Cl2 N O5 S | P 21 21 21 | 5.327; 15.367; 19.69 90; 90; 90 | 1611.8 | Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata Directing group assisted meta-hydroxylation by C‒H activation Chem. Sci., 2016, 7, 3147 |
| 1542311 | CIF | C45.5 H52.5 N6 O1.5 Zn | P 1 21 1 | 8.3889; 21.3112; 11.195 90; 93.127; 90 | 1998.43 | Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R. Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages Chem. Sci., 2016, 7, 2614 |
| 1542312 | CIF | C230 H132 F24 N37 O28 P3 S2 Zn4 | P 1 21/c 1 | 29.307; 45.11; 26.896 90; 91.52; 90 | 35545 | Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R. Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages Chem. Sci., 2016, 7, 2614 |
| 1542313 | CIF | C350 H327 F24 N51 O27 S8 Zn10 | P -3 c 1 | 35.224; 35.224; 43.354 90; 90; 120 | 46584 | Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R. Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages Chem. Sci., 2016, 7, 2614 |
| 1542316 | CIF | C12 H32 Ge13.75 N2 O31 Si1.25 | P n m a | 16.8108; 19.7138; 23.9394 90; 90; 90 | 7933.6 | Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity Chem. Sci., 2016, 7, 3025 |
| 1542318 | CIF | C20 H32 O2 | P 21 21 21 | 11.1378; 11.3745; 13.5667 90; 90; 90 | 1718.72 | Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J. Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway? Chem. Sci., 2016, 7, 3102 |
| 1542319 | CIF | C24 H20 La N O9 | C 1 c 1 | 18.4394; 13.7828; 8.116 90; 92.319; 90 | 2060.96 | Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework Chem. Sci., 2016, 7, 1070 |
| 1542320 | CIF | C85 H121.5 Fe2 N3.5 O6 | P 1 21/c 1 | 15.518; 20.0893; 26.9179 90; 104.175; 90 | 8136 | Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand Chem. Sci., 2016, 7, 1594 |
| 1542321 | CIF | C84 H120 Fe N3 O6 Zn | P 1 21/c 1 | 15.5857; 20.1236; 26.8587 90; 104.233; 90 | 8165.4 | Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand Chem. Sci., 2016, 7, 1594 |
| 1542322 | CIF | C41.5 H54 N4 O2 Zn | P 1 21 1 | 14.208; 20.222; 14.512 90; 108.954; 90 | 3943.4 | Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand Chem. Sci., 2016, 7, 1594 |
| 1542323 | CIF | C68 H37 Co N19 | P n a 21 | 18.9411; 8.6917; 33.5158 90; 90; 90 | 5517.7 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
| 1542324 | CIF | C68 H37 Co N19 | P n a 21 | 19.087; 8.742; 33.634 90; 90; 90 | 5612 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
| 1542325 | CIF | C68 H37 Co N19 | P n a 21 | 18.969; 8.681; 33.397 90; 90; 90 | 5499 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
| 1542326 | CIF | C68 H37 Co N19 | P n a 21 | 19.2853; 8.727; 33.589 90; 90; 90 | 5653.1 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
| 1542327 | CIF | C68 H37 Co N19 | P n a 21 | 18.967; 8.6864; 33.532 90; 90; 90 | 5524.6 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
| 1542328 | CIF | C68 H37 Co N19 | P n a 21 | 19.074; 8.705; 33.611 90; 90; 90 | 5581 | Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci., 2016, 7, 1569 |
| 1542329 | CIF | C38 H52 Br2 S4 | P 1 21/c 1 | 22.597; 8.0328; 20.9789 90; 98.073; 90 | 3770.3 | Keerthi, Ashok; An, Cunbin; Li, Mengmeng; Marszalek, Tomasz; Ricciardulli, Antonio Gaetano; Radha, Boya; Alsewailem, Fares D.; Müllen, Klaus; Baumgarten, Martin Dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b‘]dithiophene: a novel building-block for a planar copolymer Polym. Chem., 2016, 7, 1545 |
| 1542334 | CIF | C47.5 H34.25 F12 N10.75 P2 Ru | P 1 21/c 1 | 20.7004; 32.7257; 14.3246 90; 107.689; 90 | 9245.2 | Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M. Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA Chem. Sci., 2016, 7, 3075 |
| 1542335 | CIF | C33 H34.5 Cl2.5 Cu F6 N3 O4 P | P 1 21/c 1 | 14.59; 17.504; 28.499 90; 101.456; 90 | 7133 | Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes Chem. Sci., 2016, 7, 3154 |
| 1542336 | CIF | C60 H60 N4 O8 | P -1 | 9.688; 11.374; 13.628 100.535; 110.126; 109.435 | 1252.4 | Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes Chem. Sci., 2016, 7, 3154 |
| 1542337 | CIF | C61 H75 Cl2 N5 O5 | P 1 21/c 1 | 10.1938; 25.558; 21.504 90; 91.243; 90 | 5601.2 | Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes Chem. Sci., 2016, 7, 3154 |
| 1542346 | CIF | C151 H146 Cl6 N8 O12 | P -1 | 14.438; 15.006; 16.156 104.214; 92.043; 94.227 | 3379 | Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation Chem. Sci., 2016, 7, 3240 |
| 1542354 | CIF | C23 H28 Cl Co F6 N5 O3 P | P 1 21/c 1 | 6.9686; 22.9724; 17.7667 90; 96.495; 90 | 2825.9 | Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci., 2016, 7, 3264 |
| 1542355 | CIF | C21 H34 Cl3 Co F6 N5 O2 P | I -4 | 28.715; 28.715; 7.0017 90; 90; 90 | 5773.3 | Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci., 2016, 7, 3264 |
| 1542356 | CIF | C20 H30 Co N5 O2 | C 1 2/c 1 | 14.9757; 10.6987; 24.941 90; 98.286; 90 | 3954.3 | Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci., 2016, 7, 3264 |
| 1542357 | CIF | C30 H49 Co F12 N6 O3 P2 | P 1 21/n 1 | 12.5242; 16.7919; 18.462 90; 91.466; 90 | 3881.4 | Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci., 2016, 7, 3264 |
| 1542358 | CIF | C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 | P -1 | 14.6868; 15.5818; 17.997 69.889; 66.513; 67.869 | 3406.9 | Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts Chem. Sci., 2016, 7, 3304 |
| 1542359 | CIF | C61 H50 F12 Mn N14 O5 P2 Ru2 | P -1 | 14.471; 15.501; 16.913 114.334; 112.431; 91.203 | 3122.9 | Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts Chem. Sci., 2016, 7, 3304 |
| 1542406 | CIF | C62 H80 N2 O2 P2 Si2 Th | P n m a | 19.1242; 16.7581; 18.8909 90; 90; 90 | 6054.3 | Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T. Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds Chem. Sci., 2016, 7, 3286 |
| 1542407 | CIF | C59 H82 N2 O3 P2 Si2 U | P n m a | 18.4956; 16.94471; 18.98054 90; 90; 90 | 5948.55 | Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T. Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds Chem. Sci., 2016, 7, 3286 |
| 1542408 | CIF | C17 H16 O4 | P 21 21 21 | 7.47301; 12.0802; 15.6344 90; 90; 90 | 1411.4 | Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B. Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C–H functionalization with ethyl diazoacetate Chem. Sci., 2016, 7, 3142 |
| 1542422 | CIF | C18 H25 N3 Ni O3 | P 1 21 1 | 11.854; 6.07; 12.641 90; 104.097; 90 | 882.2 | Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation Chem. Sci., 2016, 7, 3533 |
| 1542423 | CIF | C18 H25 N3 Ni O4 | P 21 21 21 | 6.25709; 16.6261; 17.4692 90; 90; 90 | 1817.34 | Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation Chem. Sci., 2016, 7, 3533 |
| 1542424 | CIF | C28 H42 N4 Ni O5 | P 21 21 21 | 11.065; 13.046; 20.098 90; 90; 90 | 2901 | Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation Chem. Sci., 2016, 7, 3533 |
| 1542425 | CIF | C25 H25 N3 Ni O4 | P 21 21 21 | 6.41635; 10.31527; 32.9233 90; 90; 90 | 2179.07 | Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation Chem. Sci., 2016, 7, 3533 |
| 1542426 | CIF | C25 H23 N3 Ni O4 | P 21 21 21 | 10.1489; 12.0802; 17.62895 90; 90; 90 | 2161.32 | Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation Chem. Sci., 2016, 7, 3533 |
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