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 |
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