Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1500045 | CIF | C14 H10 Br2 N2 O7 Ru | P 1 21/c 1 | 6.5744; 19.604; 13.4362 90; 92.7382; 90 | 1729.74 | Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2] Physical Chemistry Chemical Physics, 2001, 3, 1992 |
| 1551263 | CIF | C29 H21 Br2 F6 N2 P | P 1 21/c 1 | 29.7525; 5.9838; 15.591 90; 98.639; 90 | 2744.2 | Ma, Xiao; Li, Jipeng; Lin, Chensheng; Chai, Guoliang; Xie, Yangbin; Huang, Wei; Wu, Dayu; Wong, Wai-Yeung Reversible two-channel mechanochromic luminescence for a pyridinium-based white-light emitter with room-temperature fluorescence–phosphorescence dual emission Physical Chemistry Chemical Physics, 2019, 21, 14728-14733 |
| 3000174 | CIF | Al4.8 Na0.7 O24 Si7.2 | F d -3 m :2 | 24.4901; 24.4901; 24.4901 90; 90; 90 | 14688.3 | Jenny G. Vitillo; Torstein Fjermestad; Maddalena D Amore; Marco Milanesio; Luca Palin; Gabriele Ricchiardi; Silvia Bordiga On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite Physical Chemistry Chemical Physics, 2018, 27, 18503 |
| 3000175 | CIF | Al4.8 Mg0.45 O25.1 Si7.2 | F d -3 m :2 | 24.4379; 24.4379; 24.4379 90; 90; 90 | 14594.6 | Jenny G. Vitillo; Torstein Fjermestad; Maddalena D Amore; Marco Milanesio; Luca Palin; Gabriele Ricchiardi; Silvia Bordiga On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite Physical Chemistry Chemical Physics, 2018, 27, 18503 |
| 7200205 | CIF | C13 H13 N | P 1 21/c 1 | 9.5107; 11.0673; 10.0425 90; 108.888; 90 | 1000.13 | Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Parker, Stewart F.; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene Physical Chemistry Chemical Physics, 2009, 11, 288-297 |
| 7200206 | CIF | C13 H14 Cl N | P 1 21/n 1 | 5.5504; 22.093; 9.7906 90; 106.436; 90 | 1151.51 | Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Parker, Stewart F.; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene Physical Chemistry Chemical Physics, 2009, 11, 288-297 |
| 7200451 | CIF | C18 H16 O | P 1 21 1 | 16.312; 7.247; 16.383 90; 90.243; 90 | 1936.7 | Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A. Probing weak non-covalent interactions in solution and solid states with designed molecules Physical Chemistry Chemical Physics, 2009, 11, 97-100 |
| 7200452 | CIF | C18 H16 N2 | P 1 21/c 1 | 13.8169; 11.8799; 8.5789 90; 100.271; 90 | 1385.6 | Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A. Probing weak non-covalent interactions in solution and solid states with designed molecules Physical Chemistry Chemical Physics, 2009, 11, 97-100 |
| 7200569 | CIF | C14 H10 Cl2 N4 O4 | P 1 21/c 1 | 3.73872; 20.1285; 9.6317 90; 98.9799; 90 | 715.95 | Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction Physical Chemistry Chemical Physics, 2009, 11, 2281-2286 |
| 7200570 | CIF | C14 H10 Cl2 N4 O4 | P 1 21/c 1 | 3.75092; 20.1711; 9.6437 90; 99.1239; 90 | 720.41 | Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction Physical Chemistry Chemical Physics, 2009, 11, 2281-2286 |
| 7200571 | CIF | C14 H10 Cl2 N4 O4 | P 1 21/c 1 | 3.7572; 20.1855; 9.6392 90; 99.189; 90 | 721.66 | Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction Physical Chemistry Chemical Physics, 2009, 11, 2281-2286 |
| 7200572 | CIF | C14 H10 Cl2 N4 O4 | P 1 21/c 1 | 3.76378; 20.2105; 9.6548 90; 99.2919; 90 | 724.78 | Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction Physical Chemistry Chemical Physics, 2009, 11, 2281-2286 |
| 7200573 | CIF | C14 H10 Cl2 N4 O4 | P 1 21/c 1 | 3.7657; 20.2197; 9.6515 90; 99.334; 90 | 725.15 | Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction Physical Chemistry Chemical Physics, 2009, 11, 2281-2286 |
| 7200574 | CIF | C14 H10 Cl2 N4 O4 | P 1 21/c 1 | 3.7825; 20.2466; 9.6556 90; 99.515; 90 | 729.28 | Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction Physical Chemistry Chemical Physics, 2009, 11, 2281-2286 |
| 7200622 | CIF | C5 H12 Cl N O2 | P b c a | 8.553; 8.713; 22.141 90; 90; 90 | 1650 | Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation Physical Chemistry Chemical Physics, 2009, 11, 2601-2609 |
| 7200623 | CIF | C5 H12 Cl N O2 | P b c a | 8.5862; 8.7421; 22.2501 90; 90; 90 | 1670.12 | Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation Physical Chemistry Chemical Physics, 2009, 11, 2601-2609 |
| 7200624 | CIF | C5 H12 Cl N O2 | P b c a | 8.5889; 8.7603; 22.2425 90; 90; 90 | 1673.56 | Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation Physical Chemistry Chemical Physics, 2009, 11, 2601-2609 |
| 7200625 | CIF | C5 H12 Cl N O2 | P b c a | 8.5921; 8.7611; 22.2484 90; 90; 90 | 1674.78 | Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation Physical Chemistry Chemical Physics, 2009, 11, 2601-2609 |
| 7200626 | CIF | C5 H12 Cl N O2 | P b c a | 8.6018; 8.7828; 22.2584 90; 90; 90 | 1681.58 | Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation Physical Chemistry Chemical Physics, 2009, 11, 2601-2609 |
| 7200713 | CIF | C27 H33 O13 Zr2 | P -1 | 11.1545; 11.845; 12.0487 76.062; 85.173; 85.04 | 1536 | Walther, Philip; Puchberger, Michael; Kogler, F. Rene; Schwarz, Karlheinz; Schubert, Ulrich Ligand dynamics on the surface of zirconium oxo clusters Physical Chemistry Chemical Physics, 2009, 11, 3640-3647 |
| 7200803 | CIF | C5.275 H5.475 Ga0.5 N0.425 O2.925 | I 1 2/a 1 | 6.712; 11.2486; 17.965 90; 91.975; 90 | 1355.6 | Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings Physical Chemistry Chemical Physics, 2009, 11, 5241-5245 |
| 7200804 | CIF | C7 H4.75 Ga0.5 O4 | P n m a | 17.437; 6.7475; 12.1541 90; 90; 90 | 1430 | Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings Physical Chemistry Chemical Physics, 2009, 11, 5241-5245 |
| 7200806 | CIF | C22 H18 F3 O3 S17 | P -1 | 8.7924; 11.6205; 17.1222 77.617; 87.597; 77.705 | 1669.51 | Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H. IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding Physical Chemistry Chemical Physics, 2009, 11, 3910-3920 |
| 7200807 | CIF | C22 H18 F3 O3 S17 | P -1 | 8.889; 11.7375; 17.219 77.299; 86.942; 77.239 | 1709.27 | Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H. IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding Physical Chemistry Chemical Physics, 2009, 11, 3910-3920 |
| 7200970 | CIF | C11 H23 B F4 S | P b c a | 13.559; 11.37; 19.264 90; 90; 90 | 2970 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200971 | CIF | C11 H23 B F4 S | P b c a | 13.626; 11.655; 18.899 90; 90; 90 | 3001.4 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200972 | CIF | C11 H23 B F4 S | P b c a | 13.563; 11.474; 19.182 90; 90; 90 | 2985.1 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200973 | CIF | C11 H23 B F4 S | P b c a | 13.55; 11.403; 19.242 90; 90; 90 | 2973 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200974 | CIF | C11 H23 B F4 S | P b c a | 13.704; 11.701; 18.657 90; 90; 90 | 2992 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200975 | CIF | C11 H23 B F4 S | P b c a | 13.561; 11.5; 19.157 90; 90; 90 | 2988 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200976 | CIF | C11 H23 B F4 S | P b c a | 13.547; 11.406; 19.256 90; 90; 90 | 2975.4 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7200977 | CIF | C11 H23 B F4 S | P b c a | 13.552; 11.396; 19.273 90; 90; 90 | 2976 | Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion Physical Chemistry Chemical Physics, 2009, 11, 7181-7188 |
| 7201054 | CIF | C16 H18 Cu F12 N2 O4 | F d d 2 | 17.7404; 26.0745; 9.83 90; 90; 90 | 4547.1 | Bandoli, Giuliano; Barreca, Davide; Gasparotto, Alberto; Seraglia, Roberta; Tondello, Eugenio; Devi, Anjana; Fischer, Roland A.; Winter, Manuela; Fois, Ettore; Gamba, Aldo; Tabacchi, Gloria An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity Physical Chemistry Chemical Physics, 2009, 11, 5998-6007 |
| 7201111 | CIF | C6 H15 N3 O7 | P 1 21 1 | 7.7153; 5.4523; 12.7639 90; 94.607; 90 | 535.19 | Hudson, Matthew R.; Allis, Damian G.; Ouellette, Wayne; Hudson, Bruce S. Inelastic neutron scattering and Raman spectroscopic investigation of l-alanine alaninium nitrate, a homologue of a ferroelectric material Physical Chemistry Chemical Physics, 2009, 11, 9474-9483 |
| 7201172 | CIF | C28 H40 Cl2 Cu2 N10 O10 S4 | P -1 | 8.2044; 10.5939; 12.6014 111.339; 97.147; 99.073 | 987.54 | Balasubramanian, Vimalkumar; Ezhevskaya, Maria; Moons, Hans; Neuburger, Markus; Cristescu, Carol; Van Doorslaer, Sabine; Palivan, Cornelia Structural characterization of a highly active superoxide-dismutase mimic Physical Chemistry Chemical Physics, 2009, 11, 6778-6787 |
| 7201194 | CIF | C28 H30 Cu F12 N4 O6 | P -1 | 10.0757; 13.044; 13.736 99.469; 103.364; 105.094 | 1646.6 | Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G. Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz Physical Chemistry Chemical Physics, 2009, 11, 6654-6663 |
| 7201195 | CIF | C28 H30 Cu F12 N4 O6 | P -1 | 10.086; 12.989; 13.689 99.323; 103.599; 104.982 | 1635.7 | Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G. Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz Physical Chemistry Chemical Physics, 2009, 11, 6654-6663 |
| 7201196 | CIF | C28 H30 Cu F12 N4 O6 | P -1 | 10.141; 12.98; 13.738 99.39; 103.585; 104.953 | 1649.3 | Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G. Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz Physical Chemistry Chemical Physics, 2009, 11, 6654-6663 |
| 7201197 | CIF | C28 H30 Cu F12 N4 O6 | P -1 | 10.2433; 13.051; 13.874 99.494; 103.534; 104.78 | 1693.1 | Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G. Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz Physical Chemistry Chemical Physics, 2009, 11, 6654-6663 |
| 7201198 | CIF | C28 H30 Cu F12 N4 O6 | P -1 | 10.276; 12.984; 13.88 99.1; 104.02; 104.2 | 1694.6 | Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G. Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz Physical Chemistry Chemical Physics, 2009, 11, 6654-6663 |
| 7201199 | CIF | C28 H30 Cu F12 N4 O6 | P -1 | 10.387; 13.198; 14.134 100.262; 103.434; 103.705 | 1774.3 | Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G. Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz Physical Chemistry Chemical Physics, 2009, 11, 6654-6663 |
| 7201300 | CIF | C8 H16 Au2 N8 Zn | C 1 2/m 1 | 10.516; 13.2522; 6.4403 90; 119.508; 90 | 781.1 | Aguiar, Pedro M.; Katz, Michael J.; Leznoff, Daniel B.; Kroeker, Scott Natural abundance 13C and 15N solid-state NMR analysis of paramagnetic transition-metal cyanide coordination polymers Physical Chemistry Chemical Physics, 2009, 11, 6925-6934 |
| 7201928 | CIF | C28 H23 F | C 1 2/c 1 | 10.1807; 12.6858; 17.0404 90; 106.996; 90 | 2104.7 | Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S. Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations Physical Chemistry Chemical Physics, 2008, 10, 2686-2694 |
| 7201929 | CIF | C28 H24 | P 1 21/n 1 | 8.27; 18.901; 13.723 90; 103.554; 90 | 2085.3 | Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S. Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations Physical Chemistry Chemical Physics, 2008, 10, 2686-2694 |
| 7201930 | CIF | C28 H23 Cl | P b c a | 8.084; 15.976; 32.417 90; 90; 90 | 4187 | Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S. Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations Physical Chemistry Chemical Physics, 2008, 10, 2686-2694 |
| 7201931 | CIF | C29 H23 N | P 1 21/c 1 | 8.3064; 32.077; 8.3998 90; 108.092; 90 | 2127.4 | Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S. Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations Physical Chemistry Chemical Physics, 2008, 10, 2686-2694 |
| 7201997 | CIF | C46 H56 O8 | P 4/n :2 | 12.7212; 12.7212; 12.5853 90; 90; 90 | 2036.67 | Udachin, Konstantin A.; Moudrakovski, Igor L.; Enright, Gary D.; Ratcliffe, Christopher I.; Ripmeester, John A. Loading-dependent structures of CO2 in the flexible molecular van der Waals host p-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest‒host stoichiometries Physical Chemistry Chemical Physics, 2008, 10, 4636-4643 |
| 7201998 | CIF | C45 H56 O6 | P 1 21/n 1 | 12.5069; 25.538; 12.5939 90; 90.013; 90 | 4022.5 | Udachin, Konstantin A.; Moudrakovski, Igor L.; Enright, Gary D.; Ratcliffe, Christopher I.; Ripmeester, John A. Loading-dependent structures of CO2 in the flexible molecular van der Waals host p-tert-butylcalix[4]arene with 1 : 1 and 2 : 1 guest‒host stoichiometries Physical Chemistry Chemical Physics, 2008, 10, 4636-4643 |
| 7202061 | CIF | C115.76 H152.28 N O18.88 | P 4/n n c :2 | 15.5514; 15.5514; 22.5951 90; 90; 90 | 5464.5 | Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Schnegg, Alexander; Möbius, Klaus; Coleman, Anthony W.; Ananchenko, Gennady S.; Udachin, Konstantin A.; Ripmeester, John A. Inclusion of 4-methoxy-2,2,6,6-tetramethylpiperidine-N-oxyl in a calixarene nanocapsule in the solid state Physical Chemistry Chemical Physics, 2008, 10, 5299-5307 |
| 7202076 | CIF | C31 H41 F6 P4 Rh | P 1 21/n 1 | 13.0859; 17.6276; 14.3952 90; 93.396; 90 | 3314.8 | Bernard, Guy M.; Feindel, Kirk W.; Wasylishen, Roderick E.; Cameron, T. Stanley Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium‒triphosphine complex Physical Chemistry Chemical Physics, 2008, 10, 5552-5563 |
| 7202108 | CIF | C H9 N9 O4 | P b c a | 12.5217; 8.1036; 16.9859 90; 90; 90 | 1723.57 | Klapötke, Thomas M.; Stierstorfer, Jörg Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound Physical Chemistry Chemical Physics, 2008, 10, 4340-4346 |
| 7202463 | CIF | C6 H14 N4 S2 | P -1 | 6.6966; 9.2281; 9.6691 68.627; 81.3; 75.717 | 537.98 | Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules? Physical Chemistry Chemical Physics, 2008, 10, 3569-3577 |
| 7202464 | CIF | C4 H10 N4 S2 | P 1 21/c 1 | 7.1297; 7.7609; 16.002 90; 101.346; 90 | 868.13 | Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules? Physical Chemistry Chemical Physics, 2008, 10, 3569-3577 |
| 7202465 | CIF | C10 H22 N4 S2 | P 1 21/n 1 | 9.0787; 7.8491; 10.5697 90; 98.575; 90 | 744.77 | Wolstenholme, David J.; Weigand, Jan J.; M. Cameron, Elinor; Cameron, T. Stanley The progression of strong and weak hydrogen bonds in a series of ethylenediammonium dithiocyanate derivatives—a new bonding protocol for macromolecules? Physical Chemistry Chemical Physics, 2008, 10, 3569-3577 |
| 7203848 | CIF | C28 H60 Cl3 Gd N8 O20 | P 4 21 2 | 15.501; 15.497; 10.428 89.99; 90.02; 90 | 2505 | Umebayashi, Yasuhiro; Matsumoto, Kai; Mekata, Isamu; Ishiguro, Shin-ichi Solvation structure of lanthanide(iii) ions in solvent mixtures of N,N-dimethylformamide and N,N-dimethylacetamide studied by titration Raman spectroscopy Physical Chemistry Chemical Physics, 2002, 4, 5599-5605 |
| 7203849 | CIF | C19 H21 I N2 O S | P -1 | 7.5429; 10.9459; 12.1974 76.36; 78.1; 74.491 | 931.94 | Tang, Xin-Jing; Wu, Li-Zhu; Zhang, Li-Ping; Tung, Chen-Ho Two-photon-pumped frequency-upconverted lasing and optical power limiting properties of vinylbenzothiazole-containing compounds in solution Physical Chemistry Chemical Physics, 2002, 4, 5744-5747 |
| 7203851 | CIF | C20 H30 Au2 S6 W2 | P 1 21/a 1 | 17.123; 9.373; 18.019 90; 107.43; 90 | 2759.2 | Lang, Jian-Ping; Yu, Hong; Ji, Shun-Jun; Sun, Zhen-Rong Synthesis, crystal structure and third-order nonlinear optical (NLO) properties of a novel tetranuclear organometallic cluster [(?5?C5Me5)WS3Au]2 Physical Chemistry Chemical Physics, 2003, 5, 5127 |
| 7203914 | CIF | C11.56 H26.43 Al7.35 Co1.65 N1.65 O37.05 P9 | R -3 c :H | 13.192; 13.192; 46.149 90; 90; 120 | 6955 | Barrett, P. A.; Jones, R. H. Evidence for ordering of cobalt ions in the microporous solid acid catalyst CoDAF-4 by single crystal X-ray diffraction and resonant X-ray powder diffraction Physical Chemistry Chemical Physics, 2000, 2, 407 |
| 7203981 | CIF | C10 H25 N3 O7 S | P 1 21/c 1 | 13.503; 8.435; 14.839 90; 112.24; 90 | 1564.4 | Ilczyszyn, Maria M.; Wierzejewska, Maria; Ciunik, Zbigniew Crystal structure and vibrational spectra of bis(betaine) sulfamate Physical Chemistry Chemical Physics, 2000, 2, 3503 |
| 7203982 | CIF | C10 H25 N3 O7 S | P 1 21/c 1 | 13.467; 8.353; 14.701 90; 112; 90 | 1533.3 | Ilczyszyn, Maria M.; Wierzejewska, Maria; Ciunik, Zbigniew Crystal structure and vibrational spectra of bis(betaine) sulfamate Physical Chemistry Chemical Physics, 2000, 2, 3503 |
| 7204003 | CIF | C20 H28 Cl2 N6 Ni O9 | P b c a | 15.043; 15.37; 21.872 90; 90; 90 | 5057 | Bazzicalupi, Carla; Bencini, Andrea; Bianchi, Antonio; Ciattini, Samuele; Giorgi, Claudia; Paoletti, Piero; Valtancoli, Barbara; Secco, Fernando; Rosaria Tinè, Maria; Venturini, Marcella Ni(II) and Co(II) complexes with a phenanthroline-containing macrocycle. Thermodynamic, structural and kinetic considerations Physical Chemistry Chemical Physics, 2000, 2, 4864 |
| 7204010 | CIF | C19 H12 N2 S | P -1 | 10.437; 12.707; 12.841 91.22; 108.34; 111.03 | 1491.4 | Borowicz, Paweł; Herbich, Jerzy; Kapturkiewicz, Andrzej; Anulewicz-Ostrowska, Romana; Nowacki, Jacek; Grampp, Günter Nature of the lowest triplet states of 4'-substituted N-phenylphenothiazine derivatives Physical Chemistry Chemical Physics, 2000, 2, 4275 |
| 7204892 | CIF | C60 H42 Cu N6 Ni2 S20 | P -1 | 12.7989; 13.3927; 11.2746 94.064; 96.445; 61.588 | 1688.74 | Sakai, Ken-ichi; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi The d-L(?)-? type of charge-transfer salt [Cu(Me-tri)2][Ni(dmit)2]2: Interaction between copper(ii) d- and Ni(dmit)2 ?-electrons via�?-conjugated macrocyclic ligandsElectronic supplementary information (ESI) available: crystallographic data in cif format. See http://www.rsc.org/suppdata/cp/b2/b212555b/ Physical Chemistry Chemical Physics, 2003, 5, 2469 |
| 7204893 | CIF | C92 H157 N5 O13 | P -1 | 9.773; 17.05; 27.745 78.31; 89.92; 77.1 | 4408.3 | Kuzmicz, Rafal; Dobrzycki, Lukasz; Wozniak, Krzysztof; Benevelli, Francesca; Klinowski, Jacek; Kolodziejski, Waclaw X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamide Physical Chemistry Chemical Physics, 2002, 4, 2387-2391 |
| 7204901 | CIF | C5 H6 Bi Cl4 N | C 1 c 1 | 12.717; 12.894; 7.274 90; 118.49; 90 | 1048.3 | Jóźków, Jolanta; Medycki, Wojciech; Zaleski, Jacek; Jakubas, Ryszard; Bator, Grażyna; Ciunik, Zbigniew Structure, phase transition and molecular motions in (C5H5NH)BiCl4 Physical Chemistry Chemical Physics, 2001, 3, 3222 |
| 7204902 | CIF | C80 H91 Cl N Na O14 | P 1 21/n 1 | 19.8693; 13.459; 30.405 90; 108.422; 90 | 7714.3 | Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex Physical Chemistry Chemical Physics, 2001, 3, 4010 |
| 7204903 | CIF | C76 H80 O8 | C 1 2/c 1 | 29.487; 24.884; 20.322 90; 115.49; 90 | 13460 | Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex Physical Chemistry Chemical Physics, 2001, 3, 4010 |
| 7204905 | CIF | C14 H10 I2 N2 O7 Ru | P 1 21/c 1 | 6.8645; 19.7584; 13.7107 90; 95.978; 90 | 1849.49 | Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2] Physical Chemistry Chemical Physics, 2001, 3, 1992 |
| 7204907 | CIF | C6 H10 F6 Li N O6 S2 | P 1 21/n 1 | 9.55; 17.179; 9.784 90; 112.75; 90 | 1480.3 | Brouillette, Dany; Irish, Donald E.; Taylor, Nicholas J.; Perron, Gérald; Odziemkowski, Marek; Desnoyers, Jacques E. Stable solvates in solution of lithium bis(trifluoromethylsulfone)imide in glymes and other aprotic solvents: Phase diagrams, crystallography and Raman spectroscopy Physical Chemistry Chemical Physics, 2002, 4, 6063-6071 |
| 7205024 | CIF | Ag5 I2 S3 Sb | P n n m | 10.9411; 13.449; 7.714 90; 90; 90 | 1135.09 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7205025 | CIF | Ag5 I2 S3 Sb | P n n m | 10.9674; 13.52; 7.7392 90; 90; 90 | 1147.56 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7205026 | CIF | Ag5 I2 S3 Sb | P n n m | 11.0033; 13.569; 7.746 90; 90; 90 | 1156.51 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7205027 | CIF | Ag5 I2 S3 Sb | P n n m | 11.0243; 13.598; 7.7442 90; 90; 90 | 1160.92 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7205028 | CIF | Ag5 I2 S3 Sb | P n n m | 11.0359; 13.612; 7.7424 90; 90; 90 | 1163.07 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7205029 | CIF | Ag5 I2 S3 Sb | P n n m | 11.0602; 13.656; 7.7527 90; 90; 90 | 1170.95 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7205030 | CIF | Ag5 I2 S3 Sb | P n n m | 11.071; 13.699; 7.7633 90; 90; 90 | 1177.39 | Nilges, Tom; Reiser, Sara; Hong, Jung Hoon; Gaudin, Etienne; Pfitzner, Arno Preparation, structural, Raman and impedance spectroscopic characterisation of the silver ion conductor (AgI)2Ag3SbS3 Physical Chemistry Chemical Physics, 2002, 4, 5888-5894 |
| 7207891 | CIF | C119 H104 N22 O12 Yb2 | P -1 | 12.755; 13.8809; 16.4661 104.344; 104.593; 99.8816 | 2646.82 | Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca NIR emitting ytterbium chelates for colourless luminescent solar concentrators Physical Chemistry Chemical Physics, 2012, 14, 6452-6455 |
| 7207892 | CIF | C42 H32 N11 O6 Yb | P -1 | 10.102; 12.5751; 16.8441 71.39; 75.122; 79.674 | 1948.81 | Sanguineti, Alessandro; Monguzzi, Angelo; Vaccaro, Gianfranco; Meinardi, Franco; Ronchi, Elisabetta; Moret, Massimo; Cosentino, Ugo; Moro, Giorgio; Simonutti, Roberto; Mauri, Michele; Tubino, Riccardo; Beverina, Luca NIR emitting ytterbium chelates for colourless luminescent solar concentrators Physical Chemistry Chemical Physics, 2012, 14, 6452-6455 |
| 7208023 | CIF | C19 H18 O | P 1 21/n 1 | 7.5369; 10.941; 16.6813 90; 102.521; 90 | 1342.8 | Brogaard, Rasmus Y.; Schalk, Oliver; Boguslavskiy, Andrey E.; Enright, Gary D.; Hopf, Henning; Raev, Vitaly; Tarcoveanu, Eliza; Sølling, Theis I.; Stolow, Albert The Paternò‒Büchi reaction: importance of triplet states in the excited-state reaction pathway Physical Chemistry Chemical Physics, 2012, 14, 8572 |
| 7213049 | CIF | C26 H25 Cu3 Mo N6 O S4 | P 1 21/c 1 | 18.856; 13.736; 12.722 90; 90.156; 90 | 3295.1 | Hou, Hongwei; Ghee Ang, How; Gek Ang, Siau; Fan, Yaoting; Low, Michael K. M.; Ji, Wei; Wang Lee, Yiew Synthesis, crystal structure and large third-order nonlinear optical properties of two novel nest-shaped clusters [MOS3Cu3(SCN)(Py)5] (M=Mo, W) Physical Chemistry Chemical Physics, 1999, 1, 3145 |
| 7213065 | CIF | C19 H17 N3 O5 | P -1 | 12.812; 9.449; 8.199 111.55; 74.84; 111.21 | 851.1 | Hobley, Jonathan; Malatesta, Vincenzo; Millini, Roberto; Montanari, Luciano; O Neil Parker, Jr, Wallace Proton exchange and isomerisation reactions of photochromic and reverse photochromic spiro-pyrans and their merocyanine forms Physical Chemistry Chemical Physics, 1999, 1, 3259 |
| 7217109 | CIF | C3 H5 N3 | P c c n | 10.468; 13.484; 5.7549 90; 90; 90 | 812.3 | Antonio Jime´nez, Jose´; María Claramunt, Rosa; Mó, Otilia; Yáñez, Manuel; Wehrmann, Frank; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Goddard, Richard; Elguero, Jose´ The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study Physical Chemistry Chemical Physics, 1999, 1, 5113 |
| 7217110 | CIF | C70 H79 Cl N5 Na O8 | P 4 c c | 21.791; 21.791; 26.958 90; 90; 90 | 12801 | Danil de Namor, Angela F.; Castellano, Eduardo E.; Pulcha Salazar, Lupe E.; Piro, Oscar E.; Jafou, Olga Thermodynamics of cation (alkali-metal) complexation by 5,11,17,23-tetra-tert-butyl[25,26,27,28-tetrakis(2-pyridylmethyl)oxy]- calix(4)arene and the crystal structure‒superstructure of its 1:1 complex with sodium and acetonitrile Physical Chemistry Chemical Physics, 1999, 1, 285 |
| 7217111 | CIF | C8 H16 N2 O4 | P 1 21/c 1 | 8.0254; 7.4851; 17.7967 90; 90.98; 90 | 1068.9 | Lunelli, Bruno; Soave, Raffaella; Destro, Riccardo Structure and stability of bis(dimethylamino)squaraine and its hydrates: A study using XRD, IR spectroscopy, and thermodynamic measurements Physical Chemistry Chemical Physics, 1999, 1, 1469 |
| 7217112 | CIF | C4 H10 N O3 | P b c n | 21.6397; 8.3029; 7.1004 90; 90; 90 | 1275.7 | Lunelli, Bruno; Soave, Raffaella; Destro, Riccardo Structure and stability of bis(dimethylamino)squaraine and its hydrates: A study using XRD, IR spectroscopy, and thermodynamic measurements Physical Chemistry Chemical Physics, 1999, 1, 1469 |
| 7217113 | CIF | C50 H61 F O4 | P 4/n :2 | 12.8581; 12.8581; 13.2833 90; 90; 90 | 2196.14 | Brouwer, Eric B.; Gougeon, Regis D. M.; Hirschinger, Je´rôme; Udachin, Kostantin A.; Harris, Robin K.; Ripmeester, John A. Intermolecular distance measurements in supramolecular solids: 13C‒19F REDOR NMR spectroscopy of p-tert-butylcalix[4]arene‒fluorobenzene Physical Chemistry Chemical Physics, 1999, 1, 4043 |
| 7221277 | CIF | Ca10 H2 O26 V6 | P 63/m | 9.7405; 9.7405; 7.004 90; 90; 120 | 575.492 | Bauer Boechat, C.; Eon, J.G.; da Silva San Gil, R.A.; Malta Rossi, A.; de Castro Perez, C.A. Structure of vanadate in calcium phosphate and vanadate apatite solid solutions Physical Chemistry Chemical Physics, 2000, 2, 4225-4230 |
| 7221305 | CIF | C Cl N O2 S2 | P c a 21 | 13.89; 7.286; 5.172 90; 90; 90 | 523.42 | Romano, R.M.; Della Vedova, C.O.; Boese, R.; Hildebrandt, P. Structural and spectroscopic characterization of Cl C (O) S N S O. A theoretical and experimental study Physical Chemistry Chemical Physics, 1999, 1, 2551-2557 |
| 7221623 | CIF HKL | Al6 Ca4 F2 O12 | R -3 :H | 17.323748; 17.323748; 7.000171 90; 90; 120 | 1819.38 | Zhiguo, Xia; Molokeev, Maxim; Oreshonkov, Alexander; Atuchin, Victor; Ru-Shi, Liu; Cheng, Dong Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy Physical Chemistry Chemical Physics, 2014, 16, 5952 |
| 7222335 | CIF | C12.864 Al54.0096 Cl36.864 F12.864 Na47.808 O384 Si137.99 | F d -3 m :2 | 24.76; 24.76; 24.76 90; 90; 90 | 15179.3 | Mellot-Draznieks, C.; Rodriguez-Carvajal, J.; Cox, D.E.; Cheetham, A.K. Adsorption of chlorofluorocarbons in nanoporous solids: a combined powder neutron diffraction and computational study of C F Cl3 in NaY zeolite Physical Chemistry Chemical Physics, 2003, 5, 1882-1887 |
| 7222416 | CIF | Mo0.12 O5 V1.88 | P m m n :2 | 11.5439; 3.5714; 4.3362 90; 90; 90 | 178.772 | Haas, F.; Fuess, H.; Adams, A.H.; Schimanke, G.; Martin, M.; Buhrmester, T. X-ray absorption and X-ray diffraction studies on molybdenum doped vanadium pentoxide Physical Chemistry Chemical Physics, 2003, 5, 4317-4324 |
| 7222419 | CIF | Na3 O4 P | F m -3 m | 7.5438; 7.5438; 7.5438 90; 90; 90 | 429.309 | Harrison, R.J.; Putnis, A.; Kockelmann, W. Phase transition behaviour and equilibrium phase relations in the fast-ion conductor system (Na3 P O4) - (Na2 S O4) Physical Chemistry Chemical Physics, 2002, 4, 3252-3259 |
| 7223849 | CIF | C10 H20 Cl N | P 21 21 21 | 8.1634; 8.9539; 14.4292 90; 90; 90 | 1054.69 | Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P. Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts Phys. Chem. Chem. Phys., 2016 |
| 7223850 | CIF | C8 H18 Cl N O | P b c a | 12.5408; 11.0072; 14.1345 90; 90; 90 | 1951.11 | Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P. Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts Phys. Chem. Chem. Phys., 2016 |
| 7225871 | CIF | C5 H9 Cl4 Fe N2 | P 21 21 21 | 9.1242; 13.8132; 9.0359 90; 90; 90 | 1138.83 | de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid Phys. Chem. Chem. Phys., 2016 |
| 7225872 | CIF | C5 H9 Cl4 Fe N2 | P 1 21/c 1 | 14.1391; 13.7039; 13.2935 90; 115.539; 90 | 2324.09 | de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid Phys. Chem. Chem. Phys., 2016 |
| 7225873 | CIF | C5 H9 Cl4 Fe N2 | P 1 21 1 | 6.5434; 14.0286; 6.5314 90; 89.921; 90 | 599.55 | de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid Phys. Chem. Chem. Phys., 2016 |
| 7226004 | CIF | C84 H122 N4 O17 S Si2 Zn | P -1 | 11.4105; 17.6824; 22.7971 79.762; 89.224; 74.592 | 4361 | Alam, Md. M.; Bolze, F.; Daniel, C.; Flamigni, L.; Gourlaouen, C.; Heitz, V.; Jenni, S.; Schmitt, J.; Sour, A.; Ventura, B. π-Extended diketopyrrolopyrrole‒porphyrin arrays: one- and two-photon photophysical investigations and theoretical studies Phys. Chem. Chem. Phys., 2016 |
| 7226121 | CIF HKL | Bi2 Ca | C m c m | 4.697; 17.069; 4.6127 90; 90; 90 | 369.81 | Winiarski, M.J.; Wiendlocha, B.; Golab, S.; Kushwaha, S.K.; Wisniewski, P.; Kaczorowski, D.; Thompson, J.D.; Cava, R.J.; Klimczuk, T. Superconductivity in CaBi2 Physical Chemistry Chemical Physics, 2016, 18, 21737-21745 |
| 7228030 | CIF | C25 H22 N2 | P -1 | 8.1532; 10.2921; 12.9838 66.763; 88.564; 73.285 | 953.98 | Fu, Hongyu; Xu, Ning; Pan, Yi-Ming; Lu, Xiao-Lin; Xia, Min Emission behaviours of novel V- and X-shaped fluorophores in response to pH and force stimuli Phys. Chem. Chem. Phys., 2017 |
| 7228034 | CIF | C26 H29 I N2 O2 | C 1 2/c 1 | 19.3336; 23.1519; 14.0857 90; 130.241; 90 | 4812.7 | Thapaliya, Ek Raj; Garcia-Amorós, Jaume; Nonell, Santi; Captain, Burjor; Raymo, Francisco M. Structural Implications on the Excitation Dynamics of Fluorescent 3H-Indolium Cations Phys. Chem. Chem. Phys., 2017 |
| 7228035 | CIF | C27 H31 Cl2 F6 N2 O2 P | P 1 21/c 1 | 8.4113; 15.752; 21.6939 90; 95.3864; 90 | 2861.6 | Thapaliya, Ek Raj; Garcia-Amorós, Jaume; Nonell, Santi; Captain, Burjor; Raymo, Francisco M. Structural Implications on the Excitation Dynamics of Fluorescent 3H-Indolium Cations Phys. Chem. Chem. Phys., 2017 |
| 7228097 | CIF | C10 H22 Cr K N2 O12 | R -3 :H | 8.5676; 8.5676; 23.7293 90; 90; 120 | 1508.46 | Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine Phys. Chem. Chem. Phys., 2017 |
| 7228098 | CIF | C5 H11 Cr0.5 K0.5 N O6 | P -1 | 8.559; 8.602; 9.156 63.07; 63.19; 61.08 | 502.3 | Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine Phys. Chem. Chem. Phys., 2017 |
| 7228099 | CIF | C10 H22 Cr K N2 O12 | P 1 21/n 1 | 8.0147; 9.8547; 12.3886 90; 90.052; 90 | 978.48 | Ptak, Maciej; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław Jacek; Ciupa, Aneta; Trzebiatowska, Monika; Maczka, Miroslaw Effect of K+ cations on phase transitions, structural, dielectric and luminescent properties of [cat][K0.5Cr0.5(HCOO)3], where cat is protonated dimethylamine or ethylamine Phys. Chem. Chem. Phys., 2017 |
| 7228159 | CIF | C14 H8 N2 S3 | P c a b | 9.969; 12.775; 20.278 90; 90; 90 | 2582.5 | Iagatti, Alessandro; Patrizi, Barbara; Basagni, Andrea; Marcelli, Agnese; Alessi, Andrea; Zanardi, Stefano; Fusco, Roberto; Salvalaggio, Mario; Bussotti, Laura; FOGGI, Paolo Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole Phys. Chem. Chem. Phys., 2017 |
| 7228165 | CIF | C23 H28 B10 | P -1 | 10.2378; 10.7582; 11.6502 90.007; 102.099; 110.257 | 1173.35 | Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G. Efficient crystallization-induced emission in fluorenyl-tethered carboranes Phys. Chem. Chem. Phys., 2017 |
| 7228166 | CIF | C27 H28 B10 | I 41/a :2 | 29.1255; 29.1255; 14.6448 90; 90; 90 | 12423.1 | Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G. Efficient crystallization-induced emission in fluorenyl-tethered carboranes Phys. Chem. Chem. Phys., 2017 |
| 7228167 | CIF | C32 H36 B10 | P -1 | 10.7377; 15.4048; 18.3711 90.481; 97.83; 91.483 | 3009.2 | Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G. Efficient crystallization-induced emission in fluorenyl-tethered carboranes Phys. Chem. Chem. Phys., 2017 |
| 7228295 | CIF | C18 H26 Cl4 Fe Ga | P -1 | 9.0583; 15.893; 16.379 70.496; 89.297; 86.103 | 2217.4 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228296 | CIF | C22 H26 Fe N3 | P b c a | 12.203; 11.584; 28.223 90; 90; 90 | 3989.6 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228297 | CIF | C21 H26 F6 Fe N O4 S2 | P 1 21/n 1 | 8.9842; 14.8711; 19.182 90; 102.447; 90 | 2502.57 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228298 | CIF | C21 H26 F6 Fe N O4 S2 | P 1 21/n 1 | 8.917; 14.441; 19.074 90; 102.995; 90 | 2393.3 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228299 | CIF | C18 H26 Cl4 Fe2 | P -1 | 9.064; 15.866; 16.381 70.651; 89.289; 86.092 | 2217 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228300 | CIF | C22 H26 B Fe N4 | I 41/a c d | 19.357; 19.357; 23.627 90; 90; 90 | 8852.9 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228301 | CIF | C20 H26 Fe N3 | P 1 21/c 1 | 16.36; 7.436; 16.53 90; 114.611; 90 | 1828 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228302 | CIF | C18 H26 F2 Fe N O4 S2 | P c a 21 | 19.713; 12.146; 17.155 90; 90; 90 | 4107.5 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228303 | CIF | C20 H26 Fe N3 | P 1 n 1 | 7.3025; 13.588; 9.39 90; 100.099; 90 | 917.3 | Mochida, Tomoyuki; Ishida, Mai; Tominaga, Takumi; Takahashi, Kazuyuki; Sakurai, Takahiro; Ohta, Hitoshi Paramagnetic ionic plastic crystals containing the octamethylferrocenium cation: counteranion dependence of phase transitions and crystal structures Phys. Chem. Chem. Phys., 2017 |
| 7228342 | CIF | C19 H17 Br2 N4 O Si | P -1 | 7.0548; 10.8999; 13.8588 73.194; 85.062; 86.312 | 1015.52 | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State Phys. Chem. Chem. Phys., 2017 |
| 7228343 | CIF | C19 H17 Br2 N4 O Si | P -1 | 7.1372; 10.9703; 13.9865 72.911; 86.154; 86.504 | 1043.42 | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State Phys. Chem. Chem. Phys., 2017 |
| 7228344 | CIF | C19 H17 Br2 N4 O Si | P -1 | 7.1059; 10.9332; 13.9604 72.976; 85.718; 86.366 | 1033.19 | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State Phys. Chem. Chem. Phys., 2017 |
| 7228345 | CIF | C19 H17 Br2 N4 O Si | P -1 | 7.0581; 10.8956; 13.8636 73.168; 85.182; 86.352 | 1016 | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; de Oliveira, Jr, Marcos; Daniliuc, Constantin Gabriel; Eckert, Helmut; Neugebauer, Johannes; Poettgen, Rainer; Studer, Armido Strong Intermolecular Antiferromagnetic Verdazyl-Verdazyl Coupling in the Solid State Phys. Chem. Chem. Phys., 2017 |
| 7228381 | CIF | C32 H34 N4 O2 | P -1 | 5.9834; 6.4373; 18.61 89.153; 87.364; 78.992 | 702.85 | Jaumann, Eva; Steinwand, Sabrina; Klenik, Szabina; Plackmeyer, Joern; Bats, Jan; Wachtveitl, Josef; Prisner, Thomas F. F A Combined Optical and EPR Spectroscopy Study: Azobenzene-Based Biradicals as Reversible Molecular Photoswitches Phys. Chem. Chem. Phys., 2017 |
| 7228399 | CIF | C26 H32 N6 S2 | R -3 | 37.196; 37.196; 5.4457 90; 90; 120 | 6524.9 | Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules Phys. Chem. Chem. Phys., 2017 |
| 7228400 | CIF | C26 H32 N6 S2 | P 1 21/n 1 | 20.6046; 5.8783; 20.9113 90; 97.134; 90 | 2513.17 | Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules Phys. Chem. Chem. Phys., 2017 |
| 7228401 | CIF | C26 H32 N6 S2 | P -1 | 9.6442; 13.9072; 19.3218 80.5235; 89.0924; 79.1833 | 2510.43 | Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor‒acceptor‒donor type molecules Phys. Chem. Chem. Phys., 2017 |
| 7228402 | CIF | C8 H18 Mg2 N2 O13 | R 3 :H | 13.9212; 13.9212; 22.6133 90; 90; 120 | 3795.32 | Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys., 2017 |
| 7228403 | CIF | C8 H18 N2 Ni2 O13 | P 63 2 2 | 8.0241; 8.0241; 7.3421 90; 90; 120 | 409.4 | Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys., 2017 |
| 7228404 | CIF | C8 H18 N2 O13 Zn2 | R 3 :H | 13.958; 13.958; 22.4646 90; 90; 120 | 3790.32 | Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys., 2017 |
| 7228405 | CIF | C8 H18 Co2 N2 O13 | R 3 :R | 10.9975; 10.9975; 10.9975 78.85; 78.85; 78.85 | 1263.43 | Trzebiatowska, Monika; Zarychta, Bartosz; Pikul, Adam; maczka, miroslaw; Peksa, Paula; Poprawski, Ryszard Polar metal-formate frameworks templated with 1,2-diaminoethane-water assemblies showing ferromagnetic and ferroelectric properties Phys. Chem. Chem. Phys., 2017 |
| 7228419 | CIF | C18 H34 O4 Pb | P -1 | 4.8937; 7.3246; 28.2872 91.643; 94.767; 90.71 | 1009.9 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228420 | CIF | C32 H62 O4 Pb | P 1 2/c 1 | 90.6159; 4.96125; 7.30027 90; 90.463; 90 | 3281.86 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228421 | CIF | C20 H38 O4 Pb | P -1 | 4.91; 7.327; 30.806 88.565; 85.855; 89.391 | 1105 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228422 | CIF | C20 H38 O4 Pb | P -1 | 4.8865; 7.2966; 30.7267 88.63; 85.856; 89.552 | 1092.36 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228423 | CIF | C26 H50 O4 Pb | P 1 2/c 1 | 75.2787; 4.96255; 7.2836 90; 90.581; 90 | 2720.83 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228424 | CIF | C18 H34 O4 Pb | P -1 | 4.89365; 7.32459; 28.2414 91.6403; 94.7593; 90.7105 | 1008.27 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228425 | CIF | C34 H66 O4 Pb | P 1 2/c 1 | 95.649; 4.9544; 7.2989 90; 90.492; 90 | 3458.7 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228426 | CIF | C18 H34 O4 Pb | P 1 2/c 1 | 54.9422; 4.98011; 7.25685 90; 90.5625; 90 | 1985.51 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228427 | CIF | C16 H30 O4 Pb | P -1 | 4.788; 7.194; 25.648 87.63; 85.55; 89.31 | 880 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228428 | CIF | C16 H30 O4 Pb | P -1 | 4.86902; 7.30619; 25.6951 88.1812; 85.2246; 89.1022 | 910.367 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228429 | CIF | C24 H46 O4 Pb | P 1 2/c 1 | 70.263; 4.96672; 7.2705 90; 90.564; 90 | 2537.11 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228430 | CIF | C30 H58 O4 Pb | P 1 2/c 1 | 85.4764; 4.96236; 7.2959 90; 90.59; 90 | 3094.5 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228431 | CIF | C28 H54 O4 Pb | P 1 2/c 1 | 80.5448; 4.96393; 7.2966 90; 90.514; 90 | 2917.2 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228432 | CIF | C20 H38 O4 Pb | P 1 2/c 1 | 60.021; 4.9611; 7.2496 90; 90.272; 90 | 2158.69 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228433 | CIF | C22 H42 O4 Pb | P 1 2/c 1 | 65.15169; 4.97107; 7.27081 90; 90.4984; 90 | 2354.73 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228434 | CIF | C36 H70 O4 Pb | P 1 2/c 1 | 100.8473; 4.95888; 7.303 90; 90.488; 90 | 3652 | Martinez-Casado, Francisco Javier Javier; Ramos Riesco, Miguel; Cheda, Jose A.; Redondo Yélamos, María Isabel; Garrido, Leoncio; Fernandez-Martinez, Alejandro; García-Barriocanal, Javier; da Silva, Ivan; Duran-Olivencia, Miguel A.; Poulain, Agnieszka Lead(II) Soaps: Crystal Structures, Polymorphism, Solid and Liquid Mesophases Phys. Chem. Chem. Phys., 2017 |
| 7228452 | CIF | C225.11 H259.71 Cl8.74 N24 O42.2 | P 1 | 17.77; 18.09; 19.19 112.63; 96.4; 99.29 | 5516.2 | Szymański, M. P.; Jędrzejewska, H.; Wierzbicki, M.; Szumna, A. On the mechanism of mechanochemical molecular encapsulation in peptidic capsules Phys. Chem. Chem. Phys., 2017 |
| 7228499 | CIF | C48 H98 N2 O23 V6 | P 1 21/c 1 | 10.866; 14.776; 19.636 90; 97.766; 90 | 3124 | XU, Xiao; Spasojevic - de Biré, Anne; Ghermani, Nour Eddine; Wei, Yongge; Novakovic, Sladjana B.; Bosnjakovic-Pavlovic, Nada; Wu, Pingfan Experimental Evidence of Charge Transfer in a Functionalized Hexavanadate. A High Resolution X-ray Diffraction Study Phys. Chem. Chem. Phys., 2017 |
| 7228535 | CIF | C26 H12 O6 | P 1 21/c 1 | 7.268; 9.35; 13.757 90; 92.71; 90 | 933.8 | Kato, Ken; Hagi, Shogo; Hinoshita, Masumi; Shikoh, Eiji; Teki, Yoshio Photoconductivity and magnetoconductance effects on vacuum vapor deposition films of weak charge-transfer complexes Phys. Chem. Chem. Phys., 2017 |
| 7228536 | CIF | C28 H18 N2 O4 | C 1 2/c 1 | 12.019; 20.022; 8.703 90; 99.99; 90 | 2062.6 | Kato, Ken; Hagi, Shogo; Hinoshita, Masumi; Shikoh, Eiji; Teki, Yoshio Photoconductivity and magnetoconductance effects on vacuum vapor deposition films of weak charge-transfer complexes Phys. Chem. Chem. Phys., 2017 |
| 7228540 | CIF | C24 H20 Cl6 P U | C 1 2/c 1 | 22.6559; 6.7274; 17.4505 90; 97.218; 90 | 2638.6 | Gendron, Frédéric; Fleischauer, Valerie E.; Duignan, Thomas J.; Scott, Brian L.; Löble, Matthias W.; Cary, Samantha K.; Kozimor, Stosh A.; Bolvin, Hélène; Neidig, Michael L.; Autschbach, Jochen Magnetic circular dichroism of UCl6− in the ligand-to-metal charge-transfer spectral region Phys. Chem. Chem. Phys., 2017 |
| 7228553 | CIF | C24 H22 N4 S | P -1 | 8.1093; 9.6; 13.0873 89.2148; 84.7426; 86.5008 | 1012.63 | Kautny, Paul; Glöcklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoeger, Berthold; Fröhlich, Johannes; Lumpi, Daniel; Plasser, Felix Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation Phys. Chem. Chem. Phys., 2017 |
| 7228554 | CIF | C24 H22 N4 S | P 1 21/n 1 | 8.8456; 23.4528; 10.109 90; 104.403; 90 | 2031.2 | Kautny, Paul; Glöcklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoeger, Berthold; Fröhlich, Johannes; Lumpi, Daniel; Plasser, Felix Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation Phys. Chem. Chem. Phys., 2017 |
| 7228555 | CIF | C24 H22 N4 S | C 1 2/c 1 | 20.8317; 9.8784; 20.8194 90; 105.837; 90 | 4121.7 | Kautny, Paul; Glöcklhofer, Florian; Kader, Thomas; Mewes, Jan-Michael; Stoeger, Berthold; Fröhlich, Johannes; Lumpi, Daniel; Plasser, Felix Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation Phys. Chem. Chem. Phys., 2017 |
| 7228620 | CIF | C18 H20 Cl N O | P 1 21/c 1 | 19.3197; 8.699; 9.8963 90; 92.2801; 90 | 1661.88 | Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure Phys. Chem. Chem. Phys., 2017 |
| 7228621 | CIF | C18 H20 Cl N O | P c a 21 | 6.1002; 7.3335; 36.4538 90; 90; 90 | 1630.79 | Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure Phys. Chem. Chem. Phys., 2017 |
| 7228622 | CIF | C18 H20 Cl N O | P -1 | 18.4072; 8.61246; 9.9664 93.7782; 90.5052; 95.6436 | 1568.72 | Yamamura, Yasuhisa; Murakoshi, Takahito; Iwagaki, Sakiko; Osiecka, Natalia; Galewski, Zbigniew; Saitoh, Hideki; Hishida, Mafumi; Massalska-Arodz, Maria; SAITO, Kazuya Structure and molecular packing in smectic BCr and Ad phases of Schiff base liquid crystal compounds through analyses of layer spacing, entropy and crystal structure Phys. Chem. Chem. Phys., 2017 |
| 7228634 | CIF | C43 H80 Mo6 N4 O18 | P 1 21/n 1 | 11.6722; 34.0516; 14.1145 90; 91.962; 90 | 5606.6 | El Moll, Hani; Black, Fiona A.; Wood, Christopher J.; Al-Yasari, Ahmed; Marri, Anil Reddy; Sazanovich, Igor V.; Gibson, Elizabeth; Fielden, John Increasing p-type Dye Sensitised Solar Cell Photovoltages using Polyoxometalates Phys. Chem. Chem. Phys., 2017 |
| 7228639 | CIF | C12 H18 F12 Mg N2 O12 S4 | P 1 | 8.7021; 9.1183; 9.2356 97.006; 95.727; 100.012 | 710.77 | Tsuzuki, Seiji; MANDAI, Toshihiko; Suzuki, Soma; Shinoda, Wataru; Nakamura, Takenobu; Morishita, Tetsuya; Ueno, Kazuhide; Seki, Shiro; Umebayashi, Yasuhiro; Dokko, Kaoru; Watanabe, Masayoshi Effect of the cation on the stability of cation-glyme complexes and their interactions with the [TFSA]- anion Phys. Chem. Chem. Phys., 2017 |
| 7228640 | CIF | C46 H38 Cl2 O6 | P 1 21 1 | 10.6304; 10.6493; 16.3294 90; 104.655; 90 | 1788.45 | Buffeteau, Thierry; Pitrat, Delphine; Daugey, Nicolas; Calin, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ducasse, Laurent; Wien, Frank; Brotin, Thierry Chiroptical properties of cryptophane-111 Phys. Chem. Chem. Phys., 2017 |
| 7228641 | CIF | C50 H41 N O6 | P 21 21 21 | 10.5518; 10.7827; 32.7161 90; 90; 90 | 3722.3 | Buffeteau, Thierry; Pitrat, Delphine; Daugey, Nicolas; Calin, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ducasse, Laurent; Wien, Frank; Brotin, Thierry Chiroptical properties of cryptophane-111 Phys. Chem. Chem. Phys., 2017 |
| 7228675 | CIF | C5 H7 Cd0.5 N2 | P 32 2 1 | 8.659; 8.659; 13.705 90; 90; 120 | 889.91 | Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd) Phys. Chem. Chem. Phys., 2017 |
| 7228676 | CIF | C5 H7 Cd0.5 N2 | P 32 2 1 | 8.6335; 8.6335; 13.7402 90; 90; 120 | 886.947 | Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd) Phys. Chem. Chem. Phys., 2017 |
| 7228677 | CIF | C5 H7 Cd0.5 N2 | P 32 2 1 | 8.7286; 8.7286; 13.6174 90; 90; 120 | 898.49 | Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd) Phys. Chem. Chem. Phys., 2017 |
| 7228678 | CIF | C5 H7 Cd0.5 N2 | P 32 2 1 | 8.6948; 8.6948; 13.6675 90; 90; 120 | 894.83 | Liu, Zhanning; Liu, Chenxi; Li, Qiang; Chen, Jun; Xing, Xianran Spring-like Motion Caused Large Anisotropic Thermal Expansion in Nonporous M(eim)2 (M=Zn, Cd) Phys. Chem. Chem. Phys., 2017 |
| 7228816 | CIF | La N2 O Ta | I m m a | 5.70714; 8.0548; 5.74023 90; 90; 90 | 263.878 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr) Phys. Chem. Chem. Phys., 2017 |
| 7228817 | CIF | N2 O Pr Ta | P n m a | 5.6848; 8.0116; 5.6808 90; 90; 90 | 258.728 | Hojamberdiev, Mirabbos; Bekheet, Maged F.; Hart, Judy N.; Vequizo, Junie Jhon M.; Yamakata, Akira; Yubuta, Kunio; Gurlo, Aleksander; Hasegawa, Masashi; Domen, Kazunari; Teshima, Katsuya Elucidating the Impact of A-Site Cation Change on Photocatalytic H2 and O2 Evolution Activities of Perovskite-Type LnTaON2 (Ln = La and Pr) Phys. Chem. Chem. Phys., 2017 |
| 7228828 | CIF | C20 H14 Cl2 N2 | P 1 21/n 1 | 14.2044; 6.0526; 20.781 90; 106.451; 90 | 1713.48 | Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D. Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine Phys. Chem. Chem. Phys., 2017 |
| 7228829 | CIF | C52 H64 N4 O2 Si4 | C 1 2/c 1 | 38.446; 5.7728; 26.2153 90; 102.956; 90 | 5670.1 | Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D. Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine Phys. Chem. Chem. Phys., 2017 |
| 7228830 | CIF | C290 H380 N4 O4 | P 1 21/c 1 | 19.6056; 18.2484; 36.537 90; 104.497; 90 | 12655.7 | Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D. Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine Phys. Chem. Chem. Phys., 2017 |
| 7228846 | CIF | C28 H21 N3 O0.1 | P 1 21/c 1 | 8.3398; 9.4693; 26.459 90; 96.161; 90 | 2077.45 | Zhang, Mengmeng; Yang, Wen; Gong, Tingfeng; Zhou, Weiqun; Xue, Renyu Tunable AIEE fluorescence constructed from a triphenylamine luminogen containing quinoline ‒ application in a reversible and tunable pH sensor Phys. Chem. Chem. Phys., 2017 |
| 7228862 | CIF | C28 H22 N2 O6 S2 | P -1 | 8.13783; 11.6634; 13.498 93.4739; 96.731; 103.882 | 1229.92 | Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Noro, Shin-ichiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki Emergent intramolecular hydrogen bonding effect to electronic structures of organic electron acceptors Phys. Chem. Chem. Phys., 2017 |
| 7228904 | CIF | C6 H12 Er0.02 N O8 Y0.91 Yb0.07 | P 1 21 1 | 6.657; 8.652; 9.708 90; 102.42; 90 | 546.1 | Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation Phys. Chem. Chem. Phys., 2017 |
| 7228905 | CIF | C6 H12 Er0.2 N O8 Yb0.8 | P 1 21 1 | 6.61; 8.599; 9.656 90; 102.01; 90 | 536.8 | Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation Phys. Chem. Chem. Phys., 2017 |
| 7228906 | CIF | C6 H12 Eu0.08 N O8 Y0.92 | P 1 21 1 | 6.663; 8.658; 9.716 90; 102.45; 90 | 547.3 | Ptak, Maciej; Pasińska, Katarzyna; Głuchowski, Paweł; Lukowiak, Anna; Ciupa, Aneta Structural, optical and phonon properties of formate-based MOF phosphors with ethylammonium cation Phys. Chem. Chem. Phys., 2017 |
| 7229077 | CIF | C54 H73 Cr6 Cs2 N6 O69.5 Si W12 | P -1 | 13.506; 20.537; 20.565 76.764; 73.713; 73.912 | 5190 | Uchida, Sayaka; Hosono, Reina; Eguchi, Ryo; Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko Nomura; Hibino, Mitsuhiro; Mizuno, Noritaka Proton Conduction in Alkali Metal Ion-Exchanged Porous Ionic Crystals Phys. Chem. Chem. Phys., 2017 |
| 7229078 | CIF | C54 H66 Cr6 N6 Na4 O68.5 Si W12 | P -1 | 13.535; 20.577; 20.603 76.6; 73.782; 73.784 | 5217 | Uchida, Sayaka; Hosono, Reina; Eguchi, Ryo; Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko Nomura; Hibino, Mitsuhiro; Mizuno, Noritaka Proton Conduction in Alkali Metal Ion-Exchanged Porous Ionic Crystals Phys. Chem. Chem. Phys., 2017 |
| 7229205 | CIF | C2 H7 N O3 | P 1 21/c 1 | 7.3033; 8.6135; 6.8992 90; 99.565; 90 | 427.97 | Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017 |
| 7229206 | CIF | C4 H11 N O3 | P 1 21/n 1 | 7.6326; 9.1273; 9.7984 90; 104.806; 90 | 659.94 | Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017 |
| 7229207 | CIF | C4 H11 N O2 | P 32 | 6.9335; 6.9335; 10.7367 90; 90; 120 | 447 | Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017 |
| 7229208 | CIF | C7 H17 N O3 | P 1 21 1 | 7.7116; 7.1277; 8.4076 90; 102.612; 90 | 450.98 | Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017 |
| 7229209 | CIF | C6 H15 N O2 | P -4 21 c | 10.9186; 10.9186; 13.3235 90; 90; 90 | 1588.37 | Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D. Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions Phys. Chem. Chem. Phys., 2017 |
| 7229210 | CIF | C24 H48 Cl8 O12 Si8 | P -1 | 10.0885; 10.2199; 12.6232 81.761; 74.572; 79.163 | 1226.23 | Kowalewska, Anna; Nowacka, Maria; Włodarska, Magdalena; Zgardzinska, B.; Zaleski, Radosław; Oszajca, Marcin; Krajenta, Justyna; Kazmierski, Slawomir Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane. Phys. Chem. Chem. Phys., 2017 |
| 7229211 | CIF | C24 H48 Cl8 O12 Si8 | P -1 | 10.3481; 10.4361; 12.1092 87.083; 77.106; 81.234 | 1259.66 | Kowalewska, Anna; Nowacka, Maria; Włodarska, Magdalena; Zgardzinska, B.; Zaleski, Radosław; Oszajca, Marcin; Krajenta, Justyna; Kazmierski, Slawomir Solid-state dynamics and single-crystal to single-crystal structural transformations in octakis(3-chloropropyl)octasilsesquioxane and octavinyloctasilsesquioxane. Phys. Chem. Chem. Phys., 2017 |
| 7229227 | CIF | C24 H31 F17 N3 P | P -1 | 10.1936; 12.6081; 25.0746 102.184; 97.398; 94.832 | 3103.1 | Zhang, Peng; Rauber, Daniel; Huch, Volker; Kraus, Tobias; Hempelmann, Rolf Lamellar Structures in Fluorinated Phosphonium Ionic Liquids: the Roles of Fluorination and Chain Length Phys. Chem. Chem. Phys., 2017 |
| 7229255 | CIF | C34 H57 Cl2 I Ni P2 | P 1 21/c 1 | 12.0708; 18.5658; 16.5122 90; 101.264; 90 | 3629.2 | Hatakeyama, Makoto; Sakamoto, Yuki; Ogata, Koji; Sumida, Yuto; Sumida, Tomoe; Hosoya, Takamitsu; Nakamura, Shinichiro A study on an unusual SN2 mechanism in the methylation of benzyne through nickel-complexation Phys. Chem. Chem. Phys., 2017 |
| 7229282 | CIF | C12 H8 O4 | P 1 21/n 1 | 3.796; 18.3816; 13.3342 90; 90.367; 90 | 930.4 | Chen, Yi-Ting; Wu, Pei-Jhen; Peng, Chia-Yu; Shen, Jiun-Yi; Tsai, Cheng-Cheng; Hu, Wei-Ping; Chou, Pi-Tai A Study of Competitive Multiple Hydrogen Bonding Effect and Its Associated Excited-State Proton Transfer Tautomerism Phys. Chem. Chem. Phys., 2017 |
| 7229395 | CIF | C23 H26 Al N3 O10 | P -1 | 12.1864; 13.4221; 16.0962 88.6544; 80.3988; 66.631 | 2380.33 | Khan, Tuhin; Datta, Anindya Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens Phys. Chem. Chem. Phys., 2017 |
| 7229396 | CIF | C24 H24 N2 O4 | P c a 21 | 21.157; 4.9633; 19.59 90; 90; 90 | 2057.1 | Khan, Tuhin; Datta, Anindya Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens Phys. Chem. Chem. Phys., 2017 |
| 7229397 | CIF | C26 H34 Al N3 O11 | P -1 | 10.8324; 12.4673; 12.7788 107.399; 107.229; 110.276 | 1382.1 | Khan, Tuhin; Datta, Anindya Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens Phys. Chem. Chem. Phys., 2017 |
| 7229416 | CIF | Ca2 Fe2 O5 | P n m a | 5.42489; 14.78357; 5.59289 90; 90; 90 | 448.546 | Kagomiya, Isao; Hirota, Yuki; Kakimoto, Ken-ichi; Fujii, Kotaro; Shiraiwa, Masahiro; Yashima, Masatomo; Fuwa, Akio; Nakamura, Shin Weak ferromagnetic ordering in brownmillerite Ca2Fe2O5 and its effect on electric field gradients Phys. Chem. Chem. Phys., 2017 |
| 7229492 | CIF | C16 H36 F12 N2 Ni O14 S10 | P -1 | 8.102; 10.826; 12.605 108.151; 91.018; 101.503 | 1025.7 | Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA] Physical Chemistry Chemical Physics, 2017 |
| 7229493 | CIF | C16 H18 F12 N8 Ni O8 S4 | P 1 21/n 1 | 8.866; 15.203; 12.895 90; 105.443; 90 | 1675.4 | Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA] Physical Chemistry Chemical Physics, 2017 |
| 7229494 | CIF | C16 H36 Co F12 N2 O14 S10 | P -1 | 8.351; 11.615; 12.237 111.339; 98.4886; 100.274 | 1058.2 | Kawazu, Yutaro; Hoke, Hiroshi; Yamada, Yasunori; Umecky, Tatsuya; Ozutsumi , Kazuhiko; Takamuku, Toshiyuki Complex Formation of Nickel(II) with Dimethyl Sulfoxide, Methanol, and Acetonitrile in TFSA−‒based Ionic Liquid of [C2mim][TFSA] Physical Chemistry Chemical Physics, 2017 |
| 7229535 | CIF | C10 H8 N2 | C 1 2/c 1 | 13.842; 9.396; 7.518 90; 119.209; 90 | 853.5 | Wang, Wenmin; Sun, Xiaoyang; Qu, Jian; Xie, Xiaoyu; Qi, Zheng-Hang; Hong, Daocheng; Jing, Su; Zheng, Dong; Tian, Yuxi; Ma, Haibo; Yu, Shouyun; Ma, Jing Aggregation-Induced Visible Light Absorption Makes Reactant 1,2-Diisocyanoarenes Acting as Photosensitizer in Double Radical Isocyanide Insertions Physical Chemistry Chemical Physics, 2017 |
| 7232549 | CIF | C8 H18 Cr N2 Na O12 | P 1 21/n 1 | 8.0317; 8.7854; 11.9391 90; 90.923; 90 | 842.33 | Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry Physical Chemistry Chemical Physics, 2019 |
| 7232550 | CIF | C8 H18 Cr N2 Na O12 | P 1 21/n 1 | 7.9504; 8.7582; 11.853 90; 90.989; 90 | 825.22 | Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry Physical Chemistry Chemical Physics, 2019 |
| 7232551 | CIF | C8 H18 Al K N2 O12 | P 1 21/n 1 | 8.1644; 9.0972; 12.2715 90; 90.289; 90 | 911.43 | Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry Physical Chemistry Chemical Physics, 2019 |
| 7232552 | CIF | C8 H18 Cr K N2 O12 | P 1 21/n 1 | 8.2054; 9.1089; 12.3423 90; 90.377; 90 | 922.5 | Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry Physical Chemistry Chemical Physics, 2019 |
| 7232553 | CIF | C8 H18 Cr K N2 O12 | P 1 21/n 1 | 8.1907; 9.0549; 12.2909 90; 90.41; 90 | 911.54 | Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry Physical Chemistry Chemical Physics, 2019 |
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