Crystallography Open Database

Result : There are 386 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

We are displaying first 300 results.

Searching journal of publication like 'Physical Chemistry Chemical Physics'

COD ID: 1500045
CIF file Formula: - C14 H10 Br2 N2 O7 Ru -
Comments: 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 3(11) (2001) 1992
Space group: P 1 21/c 1
Cell volume: 1729.74
Cell parameters: 6.5744; 19.604; 13.4362; 90; 92.7382; 90;  

COD ID: 1551263
CIF file Formula: - C29 H21 Br2 F6 N2 P -
Comments: 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 21(27) (2019) 14728-14733
Space group: P 1 21/c 1
Cell volume: 2744.2
Cell parameters: 29.7525; 5.9838; 15.591; 90; 98.639; 90;  

COD ID: 3000174
CIF file Formula: - Al4.8 Na0.7 O24 Si7.2 -
Comments: 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 27 (2018) 18503
Space group: F d -3 m :2
Cell volume: 14688.3
Cell parameters: 24.4901; 24.4901; 24.4901; 90; 90; 90;  

COD ID: 3000175
CIF file Formula: - Al4.8 Mg0.45 O25.1 Si7.2 -
Comments: 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 27 (2018) 18503
Space group: F d -3 m :2
Cell volume: 14594.6
Cell parameters: 24.4379; 24.4379; 24.4379; 90; 90; 90;  

COD ID: 7200205
CIF file Formula: - C13 H13 N -
Comments: 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 11(2) (2009) 288-297
Space group: P 1 21/c 1
Cell volume: 1000.13
Cell parameters: 9.5107; 11.0673; 10.0425; 90; 108.888; 90;  

COD ID: 7200206
CIF file Formula: - C13 H14 Cl N -
Comments: 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 11(2) (2009) 288-297
Space group: P 1 21/n 1
Cell volume: 1151.51
Cell parameters: 5.5504; 22.093; 9.7906; 90; 106.436; 90;  

COD ID: 7200451
CIF file Formula: - C18 H16 O -
Comments: 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 11(1) (2009) 97-100
Space group: P 1 21 1
Cell volume: 1936.7
Cell parameters: 16.312; 7.247; 16.383; 90; 90.243; 90;  

COD ID: 7200452
CIF file Formula: - C18 H16 N2 -
Comments: 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 11(1) (2009) 97-100
Space group: P 1 21/c 1
Cell volume: 1385.6
Cell parameters: 13.8169; 11.8799; 8.5789; 90; 100.271; 90;  

COD ID: 7200569
CIF file Formula: - C14 H10 Cl2 N4 O4 -
Comments: 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 11(13) (2009) 2281-2286
Space group: P 1 21/c 1
Cell volume: 715.95
Cell parameters: 3.73872; 20.1285; 9.6317; 90; 98.9799; 90;  

COD ID: 7200570
CIF file Formula: - C14 H10 Cl2 N4 O4 -
Comments: 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 11(13) (2009) 2281-2286
Space group: P 1 21/c 1
Cell volume: 720.41
Cell parameters: 3.75092; 20.1711; 9.6437; 90; 99.1239; 90;  

COD ID: 7200571
CIF file Formula: - C14 H10 Cl2 N4 O4 -
Comments: 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 11(13) (2009) 2281-2286
Space group: P 1 21/c 1
Cell volume: 721.66
Cell parameters: 3.7572; 20.1855; 9.6392; 90; 99.189; 90;  

COD ID: 7200572
CIF file Formula: - C14 H10 Cl2 N4 O4 -
Comments: 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 11(13) (2009) 2281-2286
Space group: P 1 21/c 1
Cell volume: 724.78
Cell parameters: 3.76378; 20.2105; 9.6548; 90; 99.2919; 90;  

COD ID: 7200573
CIF file Formula: - C14 H10 Cl2 N4 O4 -
Comments: 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 11(13) (2009) 2281-2286
Space group: P 1 21/c 1
Cell volume: 725.15
Cell parameters: 3.7657; 20.2197; 9.6515; 90; 99.334; 90;  

COD ID: 7200574
CIF file Formula: - C14 H10 Cl2 N4 O4 -
Comments: 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 11(13) (2009) 2281-2286
Space group: P 1 21/c 1
Cell volume: 729.28
Cell parameters: 3.7825; 20.2466; 9.6556; 90; 99.515; 90;  

COD ID: 7200622
CIF file Formula: - C5 H12 Cl N O2 -
Comments: 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 11(15) (2009) 2601-2609
Space group: P b c a
Cell volume: 1650
Cell parameters: 8.553; 8.713; 22.141; 90; 90; 90;  

COD ID: 7200623
CIF file Formula: - C5 H12 Cl N O2 -
Comments: 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 11(15) (2009) 2601-2609
Space group: P b c a
Cell volume: 1670.12
Cell parameters: 8.5862; 8.7421; 22.2501; 90; 90; 90;  

COD ID: 7200624
CIF file Formula: - C5 H12 Cl N O2 -
Comments: 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 11(15) (2009) 2601-2609
Space group: P b c a
Cell volume: 1673.56
Cell parameters: 8.5889; 8.7603; 22.2425; 90; 90; 90;  

COD ID: 7200625
CIF file Formula: - C5 H12 Cl N O2 -
Comments: 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 11(15) (2009) 2601-2609
Space group: P b c a
Cell volume: 1674.78
Cell parameters: 8.5921; 8.7611; 22.2484; 90; 90; 90;  

COD ID: 7200626
CIF file Formula: - C5 H12 Cl N O2 -
Comments: 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 11(15) (2009) 2601-2609
Space group: P b c a
Cell volume: 1681.58
Cell parameters: 8.6018; 8.7828; 22.2584; 90; 90; 90;  

COD ID: 7200713
CIF file Formula: - C27 H33 O13 Zr2 -
Comments: Walther, Philip; Puchberger, Michael; Kogler, F. Rene; Schwarz, Karlheinz; Schubert, Ulrich Ligand dynamics on the surface of zirconium oxo clusters Physical Chemistry Chemical Physics 11(19) (2009) 3640-3647
Space group: P -1
Cell volume: 1536
Cell parameters: 11.1545; 11.845; 12.0487; 76.062; 85.173; 85.04;  

COD ID: 7200803
CIF file Formula: - C5.275 H5.475 Ga0.5 N0.425 O2.925 -
Comments: 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 11(26) (2009) 5241-5245
Space group: I 1 2/a 1
Cell volume: 1355.6
Cell parameters: 6.712; 11.2486; 17.965; 90; 91.975; 90;  

COD ID: 7200804
CIF file Formula: - C7 H4.75 Ga0.5 O4 -
Comments: 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 11(26) (2009) 5241-5245
Space group: P n m a
Cell volume: 1430
Cell parameters: 17.437; 6.7475; 12.1541; 90; 90; 90;  

COD ID: 7200806
CIF file Formula: - C22 H18 F3 O3 S17 -
Comments: 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 11(20) (2009) 3910-3920
Space group: P -1
Cell volume: 1669.51
Cell parameters: 8.7924; 11.6205; 17.1222; 77.617; 87.597; 77.705;  

COD ID: 7200807
CIF file Formula: - C22 H18 F3 O3 S17 -
Comments: 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 11(20) (2009) 3910-3920
Space group: P -1
Cell volume: 1709.27
Cell parameters: 8.889; 11.7375; 17.219; 77.299; 86.942; 77.239;  

COD ID: 7200970
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2970
Cell parameters: 13.559; 11.37; 19.264; 90; 90; 90;  

COD ID: 7200971
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 3001.4
Cell parameters: 13.626; 11.655; 18.899; 90; 90; 90;  

COD ID: 7200972
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2985.1
Cell parameters: 13.563; 11.474; 19.182; 90; 90; 90;  

COD ID: 7200973
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2973
Cell parameters: 13.55; 11.403; 19.242; 90; 90; 90;  

COD ID: 7200974
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2992
Cell parameters: 13.704; 11.701; 18.657; 90; 90; 90;  

COD ID: 7200975
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2988
Cell parameters: 13.561; 11.5; 19.157; 90; 90; 90;  

COD ID: 7200976
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2975.4
Cell parameters: 13.547; 11.406; 19.256; 90; 90; 90;  

COD ID: 7200977
CIF file Formula: - C11 H23 B F4 S -
Comments: 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 11(33) (2009) 7181-7188
Space group: P b c a
Cell volume: 2976
Cell parameters: 13.552; 11.396; 19.273; 90; 90; 90;  

COD ID: 7201054
CIF file Formula: - C16 H18 Cu F12 N2 O4 -
Comments: 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 11(28) (2009) 5998-6007
Space group: F d d 2
Cell volume: 4547.1
Cell parameters: 17.7404; 26.0745; 9.83; 90; 90; 90;  

COD ID: 7201111
CIF file Formula: - C6 H15 N3 O7 -
Comments: 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 11(41) (2009) 9474-9483
Space group: P 1 21 1
Cell volume: 535.19
Cell parameters: 7.7153; 5.4523; 12.7639; 90; 94.607; 90;  

COD ID: 7201172
CIF file Formula: - C28 H40 Cl2 Cu2 N10 O10 S4 -
Comments: 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 11(31) (2009) 6778-6787
Space group: P -1
Cell volume: 987.54
Cell parameters: 8.2044; 10.5939; 12.6014; 111.339; 97.147; 99.073;  

COD ID: 7201194
CIF file Formula: - C28 H30 Cu F12 N4 O6 -
Comments: 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 11(31) (2009) 6654-6663
Space group: P -1
Cell volume: 1646.6
Cell parameters: 10.0757; 13.044; 13.736; 99.469; 103.364; 105.094;  

COD ID: 7201195
CIF file Formula: - C28 H30 Cu F12 N4 O6 -
Comments: 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 11(31) (2009) 6654-6663
Space group: P -1
Cell volume: 1635.7
Cell parameters: 10.086; 12.989; 13.689; 99.323; 103.599; 104.982;  

COD ID: 7201196
CIF file Formula: - C28 H30 Cu F12 N4 O6 -
Comments: 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 11(31) (2009) 6654-6663
Space group: P -1
Cell volume: 1649.3
Cell parameters: 10.141; 12.98; 13.738; 99.39; 103.585; 104.953;  

COD ID: 7201197
CIF file Formula: - C28 H30 Cu F12 N4 O6 -
Comments: 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 11(31) (2009) 6654-6663
Space group: P -1
Cell volume: 1693.1
Cell parameters: 10.2433; 13.051; 13.874; 99.494; 103.534; 104.78;  

COD ID: 7201198
CIF file Formula: - C28 H30 Cu F12 N4 O6 -
Comments: 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 11(31) (2009) 6654-6663
Space group: P -1
Cell volume: 1694.6
Cell parameters: 10.276; 12.984; 13.88; 99.1; 104.02; 104.2;  

COD ID: 7201199
CIF file Formula: - C28 H30 Cu F12 N4 O6 -
Comments: 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 11(31) (2009) 6654-6663
Space group: P -1
Cell volume: 1774.3
Cell parameters: 10.387; 13.198; 14.134; 100.262; 103.434; 103.705;  

COD ID: 7201300
CIF file Formula: - C8 H16 Au2 N8 Zn -
Comments: 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 11(32) (2009) 6925-6934
Space group: C 1 2/m 1
Cell volume: 781.1
Cell parameters: 10.516; 13.2522; 6.4403; 90; 119.508; 90;  

COD ID: 7201928
CIF file Formula: - C28 H23 F -
Comments: 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 10(19) (2008) 2686-2694
Space group: C 1 2/c 1
Cell volume: 2104.7
Cell parameters: 10.1807; 12.6858; 17.0404; 90; 106.996; 90;  

COD ID: 7201929
CIF file Formula: - C28 H24 -
Comments: 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 10(19) (2008) 2686-2694
Space group: P 1 21/n 1
Cell volume: 2085.3
Cell parameters: 8.27; 18.901; 13.723; 90; 103.554; 90;  

COD ID: 7201930
CIF file Formula: - C28 H23 Cl -
Comments: 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 10(19) (2008) 2686-2694
Space group: P b c a
Cell volume: 4187
Cell parameters: 8.084; 15.976; 32.417; 90; 90; 90;  

COD ID: 7201931
CIF file Formula: - C29 H23 N -
Comments: 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 10(19) (2008) 2686-2694
Space group: P 1 21/c 1
Cell volume: 2127.4
Cell parameters: 8.3064; 32.077; 8.3998; 90; 108.092; 90;  

COD ID: 7201997
CIF file Formula: - C46 H56 O8 -
Comments: 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 10(31) (2008) 4636-4643
Space group: P 4/n :2
Cell volume: 2036.67
Cell parameters: 12.7212; 12.7212; 12.5853; 90; 90; 90;  

COD ID: 7201998
CIF file Formula: - C45 H56 O6 -
Comments: 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 10(31) (2008) 4636-4643
Space group: P 1 21/n 1
Cell volume: 4022.5
Cell parameters: 12.5069; 25.538; 12.5939; 90; 90.013; 90;  

COD ID: 7202061
CIF file Formula: - C115.76 H152.28 N O18.88 -
Comments: 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 10(34) (2008) 5299-5307
Space group: P 4/n n c :2
Cell volume: 5464.5
Cell parameters: 15.5514; 15.5514; 22.5951; 90; 90; 90;  

COD ID: 7202076
CIF file Formula: - C31 H41 F6 P4 Rh -
Comments: 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 10(36) (2008) 5552-5563
Space group: P 1 21/n 1
Cell volume: 3314.8
Cell parameters: 13.0859; 17.6276; 14.3952; 90; 93.396; 90;  

COD ID: 7202108
CIF file Formula: - C H9 N9 O4 -
Comments: Klapötke, Thomas M.; Stierstorfer, Jörg Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound Physical Chemistry Chemical Physics 10(29) (2008) 4340-4346
Space group: P b c a
Cell volume: 1723.57
Cell parameters: 12.5217; 8.1036; 16.9859; 90; 90; 90;  

COD ID: 7202463
CIF file Formula: - C6 H14 N4 S2 -
Comments: 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 10(24) (2008) 3569-3577
Space group: P -1
Cell volume: 537.98
Cell parameters: 6.6966; 9.2281; 9.6691; 68.627; 81.3; 75.717;  

COD ID: 7202464
CIF file Formula: - C4 H10 N4 S2 -
Comments: 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 10(24) (2008) 3569-3577
Space group: P 1 21/c 1
Cell volume: 868.13
Cell parameters: 7.1297; 7.7609; 16.002; 90; 101.346; 90;  

COD ID: 7202465
CIF file Formula: - C10 H22 N4 S2 -
Comments: 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 10(24) (2008) 3569-3577
Space group: P 1 21/n 1
Cell volume: 744.77
Cell parameters: 9.0787; 7.8491; 10.5697; 90; 98.575; 90;  

COD ID: 7203848
CIF file Formula: - C28 H60 Cl3 Gd N8 O20 -
Comments: 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 4(22) (2002) 5599-5605
Space group: P 4 21 2
Cell volume: 2505
Cell parameters: 15.501; 15.497; 10.428; 89.99; 90.02; 90;  

COD ID: 7203849
CIF file Formula: - C19 H21 I N2 O S -
Comments: 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 4(23) (2002) 5744-5747
Space group: P -1
Cell volume: 931.94
Cell parameters: 7.5429; 10.9459; 12.1974; 76.36; 78.1; 74.491;  

COD ID: 7203851
CIF file Formula: - C20 H30 Au2 S6 W2 -
Comments: 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 5(22) (2003) 5127
Space group: P 1 21/a 1
Cell volume: 2759.2
Cell parameters: 17.123; 9.373; 18.019; 90; 107.43; 90;  

COD ID: 7203914
CIF file Formula: - C11.56 H26.43 Al7.35 Co1.65 N1.65 O37.05 P9 -
Comments: 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 2(3) (2000) 407
Space group: R -3 c :H
Cell volume: 6955
Cell parameters: 13.192; 13.192; 46.149; 90; 90; 120;  

COD ID: 7203981
CIF file Formula: - C10 H25 N3 O7 S -
Comments: Ilczyszyn, Maria M.; Wierzejewska, Maria; Ciunik, Zbigniew Crystal structure and vibrational spectra of bis(betaine) sulfamate Physical Chemistry Chemical Physics 2(15) (2000) 3503
Space group: P 1 21/c 1
Cell volume: 1564.4
Cell parameters: 13.503; 8.435; 14.839; 90; 112.24; 90;  

COD ID: 7203982
CIF file Formula: - C10 H25 N3 O7 S -
Comments: Ilczyszyn, Maria M.; Wierzejewska, Maria; Ciunik, Zbigniew Crystal structure and vibrational spectra of bis(betaine) sulfamate Physical Chemistry Chemical Physics 2(15) (2000) 3503
Space group: P 1 21/c 1
Cell volume: 1533.3
Cell parameters: 13.467; 8.353; 14.701; 90; 112; 90;  

COD ID: 7204003
CIF file Formula: - C20 H28 Cl2 N6 Ni O9 -
Comments: 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 2(21) (2000) 4864
Space group: P b c a
Cell volume: 5057
Cell parameters: 15.043; 15.37; 21.872; 90; 90; 90;  

COD ID: 7204010
CIF file Formula: - C19 H12 N2 S -
Comments: 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 2(19) (2000) 4275
Space group: P -1
Cell volume: 1491.4
Cell parameters: 10.437; 12.707; 12.841; 91.22; 108.34; 111.03;  

COD ID: 7204892
CIF file Formula: - C60 H42 Cu N6 Ni2 S20 -
Comments: 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 5(11) (2003) 2469
Space group: P -1
Cell volume: 1688.74
Cell parameters: 12.7989; 13.3927; 11.2746; 94.064; 96.445; 61.588;  

COD ID: 7204893
CIF file Formula: - C92 H157 N5 O13 -
Comments: 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 4(11) (2002) 2387-2391
Space group: P -1
Cell volume: 4408.3
Cell parameters: 9.773; 17.05; 27.745; 78.31; 89.92; 77.1;  

COD ID: 7204901
CIF file Formula: - C5 H6 Bi Cl4 N -
Comments: 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 3(15) (2001) 3222
Space group: C 1 c 1
Cell volume: 1048.3
Cell parameters: 12.717; 12.894; 7.274; 90; 118.49; 90;  

COD ID: 7204902
CIF file Formula: - C80 H91 Cl N Na O14 -
Comments: 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 3(18) (2001) 4010
Space group: P 1 21/n 1
Cell volume: 7714.3
Cell parameters: 19.8693; 13.459; 30.405; 90; 108.422; 90;  

COD ID: 7204903
CIF file Formula: - C76 H80 O8 -
Comments: 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 3(18) (2001) 4010
Space group: C 1 2/c 1
Cell volume: 13460
Cell parameters: 29.487; 24.884; 20.322; 90; 115.49; 90;  

COD ID: 7204905
CIF file Formula: - C14 H10 I2 N2 O7 Ru -
Comments: 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 3(11) (2001) 1992
Space group: P 1 21/c 1
Cell volume: 1849.49
Cell parameters: 6.8645; 19.7584; 13.7107; 90; 95.978; 90;  

COD ID: 7204907
CIF file Formula: - C6 H10 F6 Li N O6 S2 -
Comments: 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 4(24) (2002) 6063-6071
Space group: P 1 21/n 1
Cell volume: 1480.3
Cell parameters: 9.55; 17.179; 9.784; 90; 112.75; 90;  

COD ID: 7205024
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1135.09
Cell parameters: 10.9411; 13.449; 7.714; 90; 90; 90;  

COD ID: 7205025
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1147.56
Cell parameters: 10.9674; 13.52; 7.7392; 90; 90; 90;  

COD ID: 7205026
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1156.51
Cell parameters: 11.0033; 13.569; 7.746; 90; 90; 90;  

COD ID: 7205027
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1160.92
Cell parameters: 11.0243; 13.598; 7.7442; 90; 90; 90;  

COD ID: 7205028
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1163.07
Cell parameters: 11.0359; 13.612; 7.7424; 90; 90; 90;  

COD ID: 7205029
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1170.95
Cell parameters: 11.0602; 13.656; 7.7527; 90; 90; 90;  

COD ID: 7205030
CIF file Formula: - Ag5 I2 S3 Sb -
Comments: 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 4(23) (2002) 5888-5894
Space group: P n n m
Cell volume: 1177.39
Cell parameters: 11.071; 13.699; 7.7633; 90; 90; 90;  

COD ID: 7207891
CIF file Formula: - C119 H104 N22 O12 Yb2 -
Comments: 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 14(18) (2012) 6452-6455
Space group: P -1
Cell volume: 2646.82
Cell parameters: 12.755; 13.8809; 16.4661; 104.344; 104.593; 99.8816;  

COD ID: 7207892
CIF file Formula: - C42 H32 N11 O6 Yb -
Comments: 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 14(18) (2012) 6452-6455
Space group: P -1
Cell volume: 1948.81
Cell parameters: 10.102; 12.5751; 16.8441; 71.39; 75.122; 79.674;  

COD ID: 7208023
CIF file Formula: - C19 H18 O -
Comments: 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 14(24) (2012) 8572
Space group: P 1 21/n 1
Cell volume: 1342.8
Cell parameters: 7.5369; 10.941; 16.6813; 90; 102.521; 90;  

COD ID: 7213049
CIF file Formula: - C26 H25 Cu3 Mo N6 O S4 -
Comments: 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 1(13) (1999) 3145
Space group: P 1 21/c 1
Cell volume: 3295.1
Cell parameters: 18.856; 13.736; 12.722; 90; 90.156; 90;  

COD ID: 7213065
CIF file Formula: - C19 H17 N3 O5 -
Comments: 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 1(14) (1999) 3259
Space group: P -1
Cell volume: 851.1
Cell parameters: 12.812; 9.449; 8.199; 111.55; 74.84; 111.21;  

COD ID: 7217109
CIF file Formula: - C3 H5 N3 -
Comments: 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 1(22) (1999) 5113
Space group: P c c n
Cell volume: 812.3
Cell parameters: 10.468; 13.484; 5.7549; 90; 90; 90;  

COD ID: 7217110
CIF file Formula: - C70 H79 Cl N5 Na O8 -
Comments: 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 1(2) (1999) 285
Space group: P 4 c c
Cell volume: 12801
Cell parameters: 21.791; 21.791; 26.958; 90; 90; 90;  

COD ID: 7217111
CIF file Formula: - C8 H16 N2 O4 -
Comments: 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 1(7) (1999) 1469
Space group: P 1 21/c 1
Cell volume: 1068.9
Cell parameters: 8.0254; 7.4851; 17.7967; 90; 90.98; 90;  

COD ID: 7217112
CIF file Formula: - C4 H10 N O3 -
Comments: 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 1(7) (1999) 1469
Space group: P b c n
Cell volume: 1275.7
Cell parameters: 21.6397; 8.3029; 7.1004; 90; 90; 90;  

COD ID: 7217113
CIF file Formula: - C50 H61 F O4 -
Comments: 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 1(17) (1999) 4043
Space group: P 4/n :2
Cell volume: 2196.14
Cell parameters: 12.8581; 12.8581; 13.2833; 90; 90; 90;  

COD ID: 7221277
CIF file Formula: - Ca10 H2 O26 V6 -
Comments: 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 2 (2000) 4225-4230
Space group: P 63/m
Cell volume: 575.492
Cell parameters: 9.7405; 9.7405; 7.004; 90; 90; 120;  

COD ID: 7221305
CIF file Formula: - C Cl N O2 S2 -
Comments: 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 1 (1999) 2551-2557
Space group: P c a 21
Cell volume: 523.42
Cell parameters: 13.89; 7.286; 5.172; 90; 90; 90;  

COD ID: 7221623
CIF file

HKL data

 Formula: - Al6 Ca4 F2 O12 -
Comments: 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 16(13) (2014) 5952
Space group: R -3 :H
Cell volume: 1819.38
Cell parameters: 17.323748; 17.323748; 7.000171; 90; 90; 120;  

COD ID: 7222335
CIF file Formula: - C12.864 Al54.0096 Cl36.864 F12.864 Na47.808 O384 Si137.99 -
Comments: 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 5 (2003) 1882-1887
Space group: F d -3 m :2
Cell volume: 15179.3
Cell parameters: 24.76; 24.76; 24.76; 90; 90; 90;  

COD ID: 7222416
CIF file Formula: - Mo0.12 O5 V1.88 -
Comments: 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 5 (2003) 4317-4324
Space group: P m m n :2
Cell volume: 178.772
Cell parameters: 11.5439; 3.5714; 4.3362; 90; 90; 90;  

COD ID: 7222419
CIF file Formula: - Na3 O4 P -
Comments: 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 4 (2002) 3252-3259
Space group: F m -3 m
Cell volume: 429.309
Cell parameters: 7.5438; 7.5438; 7.5438; 90; 90; 90;  

COD ID: 7223849
CIF file Formula: - C10 H20 Cl N -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1054.69
Cell parameters: 8.1634; 8.9539; 14.4292; 90; 90; 90;  

COD ID: 7223850
CIF file Formula: - C8 H18 Cl N O -
Comments: 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)
Space group: P b c a
Cell volume: 1951.11
Cell parameters: 12.5408; 11.0072; 14.1345; 90; 90; 90;  

COD ID: 7225871
CIF file Formula: - C5 H9 Cl4 Fe N2 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 1138.83
Cell parameters: 9.1242; 13.8132; 9.0359; 90; 90; 90;  

COD ID: 7225872
CIF file Formula: - C5 H9 Cl4 Fe N2 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 2324.09
Cell parameters: 14.1391; 13.7039; 13.2935; 90; 115.539; 90;  

COD ID: 7225873
CIF file Formula: - C5 H9 Cl4 Fe N2 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 599.55
Cell parameters: 6.5434; 14.0286; 6.5314; 90; 89.921; 90;  

COD ID: 7226004
CIF file Formula: - C84 H122 N4 O17 S Si2 Zn -
Comments: 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)
Space group: P -1
Cell volume: 4361
Cell parameters: 11.4105; 17.6824; 22.7971; 79.762; 89.224; 74.592;  

COD ID: 7226121
CIF file

HKL data

 Formula: - Bi2 Ca -
Comments: 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 18 (2016) 21737-21745
Space group: C m c m
Cell volume: 369.81
Cell parameters: 4.697; 17.069; 4.6127; 90; 90; 90;  

COD ID: 7228030
CIF file Formula: - C25 H22 N2 -
Comments: 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)
Space group: P -1
Cell volume: 953.98
Cell parameters: 8.1532; 10.2921; 12.9838; 66.763; 88.564; 73.285;  

COD ID: 7228034
CIF file Formula: - C26 H29 I N2 O2 -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 4812.7
Cell parameters: 19.3336; 23.1519; 14.0857; 90; 130.241; 90;  

COD ID: 7228035
CIF file Formula: - C27 H31 Cl2 F6 N2 O2 P -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 2861.6
Cell parameters: 8.4113; 15.752; 21.6939; 90; 95.3864; 90;  

COD ID: 7228097
CIF file Formula: - C10 H22 Cr K N2 O12 -
Comments: 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)
Space group: R -3 :H
Cell volume: 1508.46
Cell parameters: 8.5676; 8.5676; 23.7293; 90; 90; 120;  

COD ID: 7228098
CIF file Formula: - C5 H11 Cr0.5 K0.5 N O6 -
Comments: 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)
Space group: P -1
Cell volume: 502.3
Cell parameters: 8.559; 8.602; 9.156; 63.07; 63.19; 61.08;  

COD ID: 7228099
CIF file Formula: - C10 H22 Cr K N2 O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 978.48
Cell parameters: 8.0147; 9.8547; 12.3886; 90; 90.052; 90;  

COD ID: 7228159
CIF file Formula: - C14 H8 N2 S3 -
Comments: 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)
Space group: P c a b
Cell volume: 2582.5
Cell parameters: 9.969; 12.775; 20.278; 90; 90; 90;  

COD ID: 7228165
CIF file Formula: - C23 H28 B10 -
Comments: Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G. Efficient crystallization-induced emission in fluorenyl-tethered carboranes Phys. Chem. Chem. Phys. (2017)
Space group: P -1
Cell volume: 1173.35
Cell parameters: 10.2378; 10.7582; 11.6502; 90.007; 102.099; 110.257;  

COD ID: 7228166
CIF file Formula: - C27 H28 B10 -
Comments: Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G. Efficient crystallization-induced emission in fluorenyl-tethered carboranes Phys. Chem. Chem. Phys. (2017)
Space group: I 41/a :2
Cell volume: 12423.1
Cell parameters: 29.1255; 29.1255; 14.6448; 90; 90; 90;  

COD ID: 7228167
CIF file Formula: - C32 H36 B10 -
Comments: Wang, Zhaojin; Wang, Tianyu; Zhang, Chi; Humphrey, Mark G. Efficient crystallization-induced emission in fluorenyl-tethered carboranes Phys. Chem. Chem. Phys. (2017)
Space group: P -1
Cell volume: 3009.2
Cell parameters: 10.7377; 15.4048; 18.3711; 90.481; 97.83; 91.483;  

COD ID: 7228295
CIF file Formula: - C18 H26 Cl4 Fe Ga -
Comments: 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)
Space group: P -1
Cell volume: 2217.4
Cell parameters: 9.0583; 15.893; 16.379; 70.496; 89.297; 86.103;  

COD ID: 7228296
CIF file Formula: - C22 H26 Fe N3 -
Comments: 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)
Space group: P b c a
Cell volume: 3989.6
Cell parameters: 12.203; 11.584; 28.223; 90; 90; 90;  

COD ID: 7228297
CIF file Formula: - C21 H26 F6 Fe N O4 S2 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 2502.57
Cell parameters: 8.9842; 14.8711; 19.182; 90; 102.447; 90;  

COD ID: 7228298
CIF file Formula: - C21 H26 F6 Fe N O4 S2 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 2393.3
Cell parameters: 8.917; 14.441; 19.074; 90; 102.995; 90;  

COD ID: 7228299
CIF file Formula: - C18 H26 Cl4 Fe2 -
Comments: 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)
Space group: P -1
Cell volume: 2217
Cell parameters: 9.064; 15.866; 16.381; 70.651; 89.289; 86.092;  

COD ID: 7228300
CIF file Formula: - C22 H26 B Fe N4 -
Comments: 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)
Space group: I 41/a c d
Cell volume: 8852.9
Cell parameters: 19.357; 19.357; 23.627; 90; 90; 90;  

COD ID: 7228301
CIF file Formula: - C20 H26 Fe N3 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 1828
Cell parameters: 16.36; 7.436; 16.53; 90; 114.611; 90;  

COD ID: 7228302
CIF file Formula: - C18 H26 F2 Fe N O4 S2 -
Comments: 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)
Space group: P c a 21
Cell volume: 4107.5
Cell parameters: 19.713; 12.146; 17.155; 90; 90; 90;  

COD ID: 7228303
CIF file Formula: - C20 H26 Fe N3 -
Comments: 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)
Space group: P 1 n 1
Cell volume: 917.3
Cell parameters: 7.3025; 13.588; 9.39; 90; 100.099; 90;  

COD ID: 7228342
CIF file Formula: - C19 H17 Br2 N4 O Si -
Comments: 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)
Space group: P -1
Cell volume: 1015.52
Cell parameters: 7.0548; 10.8999; 13.8588; 73.194; 85.062; 86.312;  

COD ID: 7228343
CIF file Formula: - C19 H17 Br2 N4 O Si -
Comments: 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)
Space group: P -1
Cell volume: 1043.42
Cell parameters: 7.1372; 10.9703; 13.9865; 72.911; 86.154; 86.504;  

COD ID: 7228344
CIF file Formula: - C19 H17 Br2 N4 O Si -
Comments: 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)
Space group: P -1
Cell volume: 1033.19
Cell parameters: 7.1059; 10.9332; 13.9604; 72.976; 85.718; 86.366;  

COD ID: 7228345
CIF file Formula: - C19 H17 Br2 N4 O Si -
Comments: 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)
Space group: P -1
Cell volume: 1016
Cell parameters: 7.0581; 10.8956; 13.8636; 73.168; 85.182; 86.352;  

COD ID: 7228381
CIF file Formula: - C32 H34 N4 O2 -
Comments: 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)
Space group: P -1
Cell volume: 702.85
Cell parameters: 5.9834; 6.4373; 18.61; 89.153; 87.364; 78.992;  

COD ID: 7228399
CIF file Formula: - C26 H32 N6 S2 -
Comments: 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)
Space group: R -3
Cell volume: 6524.9
Cell parameters: 37.196; 37.196; 5.4457; 90; 90; 120;  

COD ID: 7228400
CIF file Formula: - C26 H32 N6 S2 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 2513.17
Cell parameters: 20.6046; 5.8783; 20.9113; 90; 97.134; 90;  

COD ID: 7228401
CIF file Formula: - C26 H32 N6 S2 -
Comments: 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)
Space group: P -1
Cell volume: 2510.43
Cell parameters: 9.6442; 13.9072; 19.3218; 80.5235; 89.0924; 79.1833;  

COD ID: 7228402
CIF file Formula: - C8 H18 Mg2 N2 O13 -
Comments: 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)
Space group: R 3 :H
Cell volume: 3795.32
Cell parameters: 13.9212; 13.9212; 22.6133; 90; 90; 120;  

COD ID: 7228403
CIF file Formula: - C8 H18 N2 Ni2 O13 -
Comments: 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)
Space group: P 63 2 2
Cell volume: 409.4
Cell parameters: 8.0241; 8.0241; 7.3421; 90; 90; 120;  

COD ID: 7228404
CIF file Formula: - C8 H18 N2 O13 Zn2 -
Comments: 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)
Space group: R 3 :H
Cell volume: 3790.32
Cell parameters: 13.958; 13.958; 22.4646; 90; 90; 120;  

COD ID: 7228405
CIF file Formula: - C8 H18 Co2 N2 O13 -
Comments: 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)
Space group: R 3 :R
Cell volume: 1263.43
Cell parameters: 10.9975; 10.9975; 10.9975; 78.85; 78.85; 78.85;  

COD ID: 7228419
CIF file Formula: - C18 H34 O4 Pb -
Comments: 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)
Space group: P -1
Cell volume: 1009.9
Cell parameters: 4.8937; 7.3246; 28.2872; 91.643; 94.767; 90.71;  

COD ID: 7228420
CIF file Formula: - C32 H62 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 3281.86
Cell parameters: 90.6159; 4.96125; 7.30027; 90; 90.463; 90;  

COD ID: 7228421
CIF file Formula: - C20 H38 O4 Pb -
Comments: 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)
Space group: P -1
Cell volume: 1105
Cell parameters: 4.91; 7.327; 30.806; 88.565; 85.855; 89.391;  

COD ID: 7228422
CIF file Formula: - C20 H38 O4 Pb -
Comments: 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)
Space group: P -1
Cell volume: 1092.36
Cell parameters: 4.8865; 7.2966; 30.7267; 88.63; 85.856; 89.552;  

COD ID: 7228423
CIF file Formula: - C26 H50 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 2720.83
Cell parameters: 75.2787; 4.96255; 7.2836; 90; 90.581; 90;  

COD ID: 7228424
CIF file Formula: - C18 H34 O4 Pb -
Comments: 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)
Space group: P -1
Cell volume: 1008.27
Cell parameters: 4.89365; 7.32459; 28.2414; 91.6403; 94.7593; 90.7105;  

COD ID: 7228425
CIF file Formula: - C34 H66 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 3458.7
Cell parameters: 95.649; 4.9544; 7.2989; 90; 90.492; 90;  

COD ID: 7228426
CIF file Formula: - C18 H34 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 1985.51
Cell parameters: 54.9422; 4.98011; 7.25685; 90; 90.5625; 90;  

COD ID: 7228427
CIF file Formula: - C16 H30 O4 Pb -
Comments: 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)
Space group: P -1
Cell volume: 880
Cell parameters: 4.788; 7.194; 25.648; 87.63; 85.55; 89.31;  

COD ID: 7228428
CIF file Formula: - C16 H30 O4 Pb -
Comments: 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)
Space group: P -1
Cell volume: 910.367
Cell parameters: 4.86902; 7.30619; 25.6951; 88.1812; 85.2246; 89.1022;  

COD ID: 7228429
CIF file Formula: - C24 H46 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 2537.11
Cell parameters: 70.263; 4.96672; 7.2705; 90; 90.564; 90;  

COD ID: 7228430
CIF file Formula: - C30 H58 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 3094.5
Cell parameters: 85.4764; 4.96236; 7.2959; 90; 90.59; 90;  

COD ID: 7228431
CIF file Formula: - C28 H54 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 2917.2
Cell parameters: 80.5448; 4.96393; 7.2966; 90; 90.514; 90;  

COD ID: 7228432
CIF file Formula: - C20 H38 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 2158.69
Cell parameters: 60.021; 4.9611; 7.2496; 90; 90.272; 90;  

COD ID: 7228433
CIF file Formula: - C22 H42 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 2354.73
Cell parameters: 65.15169; 4.97107; 7.27081; 90; 90.4984; 90;  

COD ID: 7228434
CIF file Formula: - C36 H70 O4 Pb -
Comments: 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)
Space group: P 1 2/c 1
Cell volume: 3652
Cell parameters: 100.8473; 4.95888; 7.303; 90; 90.488; 90;  

COD ID: 7228452
CIF file Formula: - C225.11 H259.71 Cl8.74 N24 O42.2 -
Comments: Szymański, M. P.; Jędrzejewska, H.; Wierzbicki, M.; Szumna, A. On the mechanism of mechanochemical molecular encapsulation in peptidic capsules Phys. Chem. Chem. Phys. (2017)
Space group: P 1
Cell volume: 5516.2
Cell parameters: 17.77; 18.09; 19.19; 112.63; 96.4; 99.29;  

COD ID: 7228499
CIF file Formula: - C48 H98 N2 O23 V6 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 3124
Cell parameters: 10.866; 14.776; 19.636; 90; 97.766; 90;  

COD ID: 7228535
CIF file Formula: - C26 H12 O6 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 933.8
Cell parameters: 7.268; 9.35; 13.757; 90; 92.71; 90;  

COD ID: 7228536
CIF file Formula: - C28 H18 N2 O4 -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 2062.6
Cell parameters: 12.019; 20.022; 8.703; 90; 99.99; 90;  

COD ID: 7228540
CIF file Formula: - C24 H20 Cl6 P U -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 2638.6
Cell parameters: 22.6559; 6.7274; 17.4505; 90; 97.218; 90;  

COD ID: 7228553
CIF file Formula: - C24 H22 N4 S -
Comments: 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)
Space group: P -1
Cell volume: 1012.63
Cell parameters: 8.1093; 9.6; 13.0873; 89.2148; 84.7426; 86.5008;  

COD ID: 7228554
CIF file Formula: - C24 H22 N4 S -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 2031.2
Cell parameters: 8.8456; 23.4528; 10.109; 90; 104.403; 90;  

COD ID: 7228555
CIF file Formula: - C24 H22 N4 S -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 4121.7
Cell parameters: 20.8317; 9.8784; 20.8194; 90; 105.837; 90;  

COD ID: 7228620
CIF file Formula: - C18 H20 Cl N O -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 1661.88
Cell parameters: 19.3197; 8.699; 9.8963; 90; 92.2801; 90;  

COD ID: 7228621
CIF file Formula: - C18 H20 Cl N O -
Comments: 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)
Space group: P c a 21
Cell volume: 1630.79
Cell parameters: 6.1002; 7.3335; 36.4538; 90; 90; 90;  

COD ID: 7228622
CIF file Formula: - C18 H20 Cl N O -
Comments: 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)
Space group: P -1
Cell volume: 1568.72
Cell parameters: 18.4072; 8.61246; 9.9664; 93.7782; 90.5052; 95.6436;  

COD ID: 7228634
CIF file Formula: - C43 H80 Mo6 N4 O18 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 5606.6
Cell parameters: 11.6722; 34.0516; 14.1145; 90; 91.962; 90;  

COD ID: 7228639
CIF file Formula: - C12 H18 F12 Mg N2 O12 S4 -
Comments: 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)
Space group: P 1
Cell volume: 710.77
Cell parameters: 8.7021; 9.1183; 9.2356; 97.006; 95.727; 100.012;  

COD ID: 7228640
CIF file Formula: - C46 H38 Cl2 O6 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 1788.45
Cell parameters: 10.6304; 10.6493; 16.3294; 90; 104.655; 90;  

COD ID: 7228641
CIF file Formula: - C50 H41 N O6 -
Comments: 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)
Space group: P 21 21 21
Cell volume: 3722.3
Cell parameters: 10.5518; 10.7827; 32.7161; 90; 90; 90;  

COD ID: 7228675
CIF file Formula: - C5 H7 Cd0.5 N2 -
Comments: 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)
Space group: P 32 2 1
Cell volume: 889.91
Cell parameters: 8.659; 8.659; 13.705; 90; 90; 120;  

COD ID: 7228676
CIF file Formula: - C5 H7 Cd0.5 N2 -
Comments: 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)
Space group: P 32 2 1
Cell volume: 886.947
Cell parameters: 8.6335; 8.6335; 13.7402; 90; 90; 120;  

COD ID: 7228677
CIF file Formula: - C5 H7 Cd0.5 N2 -
Comments: 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)
Space group: P 32 2 1
Cell volume: 898.49
Cell parameters: 8.7286; 8.7286; 13.6174; 90; 90; 120;  

COD ID: 7228678
CIF file Formula: - C5 H7 Cd0.5 N2 -
Comments: 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)
Space group: P 32 2 1
Cell volume: 894.83
Cell parameters: 8.6948; 8.6948; 13.6675; 90; 90; 120;  

COD ID: 7228816
CIF file Formula: - La N2 O Ta -
Comments: 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)
Space group: I m m a
Cell volume: 263.878
Cell parameters: 5.70714; 8.0548; 5.74023; 90; 90; 90;  

COD ID: 7228817
CIF file Formula: - N2 O Pr Ta -
Comments: 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)
Space group: P n m a
Cell volume: 258.728
Cell parameters: 5.6848; 8.0116; 5.6808; 90; 90; 90;  

COD ID: 7228828
CIF file Formula: - C20 H14 Cl2 N2 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 1713.48
Cell parameters: 14.2044; 6.0526; 20.781; 90; 106.451; 90;  

COD ID: 7228829
CIF file Formula: - C52 H64 N4 O2 Si4 -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 5670.1
Cell parameters: 38.446; 5.7728; 26.2153; 90; 102.956; 90;  

COD ID: 7228830
CIF file Formula: - C290 H380 N4 O4 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 12655.7
Cell parameters: 19.6056; 18.2484; 36.537; 90; 104.497; 90;  

COD ID: 7228846
CIF file Formula: - C28 H21 N3 O0.1 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 2077.45
Cell parameters: 8.3398; 9.4693; 26.459; 90; 96.161; 90;  

COD ID: 7228862
CIF file Formula: - C28 H22 N2 O6 S2 -
Comments: 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)
Space group: P -1
Cell volume: 1229.92
Cell parameters: 8.13783; 11.6634; 13.498; 93.4739; 96.731; 103.882;  

COD ID: 7228904
CIF file Formula: - C6 H12 Er0.02 N O8 Y0.91 Yb0.07 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 546.1
Cell parameters: 6.657; 8.652; 9.708; 90; 102.42; 90;  

COD ID: 7228905
CIF file Formula: - C6 H12 Er0.2 N O8 Yb0.8 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 536.8
Cell parameters: 6.61; 8.599; 9.656; 90; 102.01; 90;  

COD ID: 7228906
CIF file Formula: - C6 H12 Eu0.08 N O8 Y0.92 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 547.3
Cell parameters: 6.663; 8.658; 9.716; 90; 102.45; 90;  

COD ID: 7229077
CIF file Formula: - C54 H73 Cr6 Cs2 N6 O69.5 Si W12 -
Comments: 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)
Space group: P -1
Cell volume: 5190
Cell parameters: 13.506; 20.537; 20.565; 76.764; 73.713; 73.912;  

COD ID: 7229078
CIF file Formula: - C54 H66 Cr6 N6 Na4 O68.5 Si W12 -
Comments: 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)
Space group: P -1
Cell volume: 5217
Cell parameters: 13.535; 20.577; 20.603; 76.6; 73.782; 73.784;  

COD ID: 7229205
CIF file Formula: - C2 H7 N O3 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 427.97
Cell parameters: 7.3033; 8.6135; 6.8992; 90; 99.565; 90;  

COD ID: 7229206
CIF file Formula: - C4 H11 N O3 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 659.94
Cell parameters: 7.6326; 9.1273; 9.7984; 90; 104.806; 90;  

COD ID: 7229207
CIF file Formula: - C4 H11 N O2 -
Comments: 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)
Space group: P 32
Cell volume: 447
Cell parameters: 6.9335; 6.9335; 10.7367; 90; 90; 120;  

COD ID: 7229208
CIF file Formula: - C7 H17 N O3 -
Comments: 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)
Space group: P 1 21 1
Cell volume: 450.98
Cell parameters: 7.7116; 7.1277; 8.4076; 90; 102.612; 90;  

COD ID: 7229209
CIF file Formula: - C6 H15 N O2 -
Comments: 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)
Space group: P -4 21 c
Cell volume: 1588.37
Cell parameters: 10.9186; 10.9186; 13.3235; 90; 90; 90;  

COD ID: 7229210
CIF file Formula: - C24 H48 Cl8 O12 Si8 -
Comments: 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)
Space group: P -1
Cell volume: 1226.23
Cell parameters: 10.0885; 10.2199; 12.6232; 81.761; 74.572; 79.163;  

COD ID: 7229211
CIF file Formula: - C24 H48 Cl8 O12 Si8 -
Comments: 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)
Space group: P -1
Cell volume: 1259.66
Cell parameters: 10.3481; 10.4361; 12.1092; 87.083; 77.106; 81.234;  

COD ID: 7229227
CIF file Formula: - C24 H31 F17 N3 P -
Comments: 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)
Space group: P -1
Cell volume: 3103.1
Cell parameters: 10.1936; 12.6081; 25.0746; 102.184; 97.398; 94.832;  

COD ID: 7229255
CIF file Formula: - C34 H57 Cl2 I Ni P2 -
Comments: 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)
Space group: P 1 21/c 1
Cell volume: 3629.2
Cell parameters: 12.0708; 18.5658; 16.5122; 90; 101.264; 90;  

COD ID: 7229282
CIF file Formula: - C12 H8 O4 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 930.4
Cell parameters: 3.796; 18.3816; 13.3342; 90; 90.367; 90;  

COD ID: 7229395
CIF file Formula: - C23 H26 Al N3 O10 -
Comments: Khan, Tuhin; Datta, Anindya Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens Phys. Chem. Chem. Phys. (2017)
Space group: P -1
Cell volume: 2380.33
Cell parameters: 12.1864; 13.4221; 16.0962; 88.6544; 80.3988; 66.631;  

COD ID: 7229396
CIF file Formula: - C24 H24 N2 O4 -
Comments: Khan, Tuhin; Datta, Anindya Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens Phys. Chem. Chem. Phys. (2017)
Space group: P c a 21
Cell volume: 2057.1
Cell parameters: 21.157; 4.9633; 19.59; 90; 90; 90;  

COD ID: 7229397
CIF file Formula: - C26 H34 Al N3 O11 -
Comments: Khan, Tuhin; Datta, Anindya Enhanced fluorescence with nanosecond dynamics in solid state of metal Ion complexes of alkoxy salophens Phys. Chem. Chem. Phys. (2017)
Space group: P -1
Cell volume: 1382.1
Cell parameters: 10.8324; 12.4673; 12.7788; 107.399; 107.229; 110.276;  

COD ID: 7229416
CIF file Formula: - Ca2 Fe2 O5 -
Comments: 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)
Space group: P n m a
Cell volume: 448.546
Cell parameters: 5.42489; 14.78357; 5.59289; 90; 90; 90;  

COD ID: 7229492
CIF file Formula: - C16 H36 F12 N2 Ni O14 S10 -
Comments: 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)
Space group: P -1
Cell volume: 1025.7
Cell parameters: 8.102; 10.826; 12.605; 108.151; 91.018; 101.503;  

COD ID: 7229493
CIF file Formula: - C16 H18 F12 N8 Ni O8 S4 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 1675.4
Cell parameters: 8.866; 15.203; 12.895; 90; 105.443; 90;  

COD ID: 7229494
CIF file Formula: - C16 H36 Co F12 N2 O14 S10 -
Comments: 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)
Space group: P -1
Cell volume: 1058.2
Cell parameters: 8.351; 11.615; 12.237; 111.339; 98.4886; 100.274;  

COD ID: 7229535
CIF file Formula: - C10 H8 N2 -
Comments: 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)
Space group: C 1 2/c 1
Cell volume: 853.5
Cell parameters: 13.842; 9.396; 7.518; 90; 119.209; 90;  

COD ID: 7232549
CIF file Formula: - C8 H18 Cr N2 Na O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 842.33
Cell parameters: 8.0317; 8.7854; 11.9391; 90; 90.923; 90;  

COD ID: 7232550
CIF file Formula: - C8 H18 Cr N2 Na O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 825.22
Cell parameters: 7.9504; 8.7582; 11.853; 90; 90.989; 90;  

COD ID: 7232551
CIF file Formula: - C8 H18 Al K N2 O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 911.43
Cell parameters: 8.1644; 9.0972; 12.2715; 90; 90.289; 90;  

COD ID: 7232552
CIF file Formula: - C8 H18 Cr K N2 O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 922.5
Cell parameters: 8.2054; 9.1089; 12.3423; 90; 90.377; 90;  

COD ID: 7232553
CIF file Formula: - C8 H18 Cr K N2 O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 911.54
Cell parameters: 8.1907; 9.0549; 12.2909; 90; 90.41; 90;  

COD ID: 7232554
CIF file Formula: - C8 H18 Al K N2 O12 -
Comments: 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)
Space group: P 1 21/n 1
Cell volume: 901.26
Cell parameters: 8.1568; 9.0289; 12.238; 90; 90.509; 90;  

COD ID: 7232631
CIF file Formula: - C16 H36 F12 Mg N2 O14 S10 -
Comments: MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 1062.74
Cell parameters: 8.3553; 11.644; 12.2554; 111.29; 98.55; 100.341;  

COD ID: 7232632
CIF file Formula: - C44 H68 F24 Mg2 N12 O26 S8 -
Comments: MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 3971.8
Cell parameters: 14.2221; 16.156; 20.0391; 96.153; 109.15; 109.657;  

COD ID: 7232633
CIF file Formula: - C34 H48 F12 Mg N14 O8 S4 -
Comments: MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/c 1
Cell volume: 2488.6
Cell parameters: 11.0919; 11.1816; 20.2849; 90; 98.442; 90;  

COD ID: 7232634
CIF file Formula: - C26 H50 F12 Mg N2 O17 S6 -
Comments: MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 4680.4
Cell parameters: 16.5803; 16.0637; 18.4302; 90; 107.544; 90;  

COD ID: 7232701
CIF file Formula: - C49 H21 Cl3 F20 N5 O4 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: I 1 2/m 1
Cell volume: 5390.6
Cell parameters: 18.9313; 16.3839; 17.3825; 90; 91.048; 90;  

COD ID: 7232702
CIF file Formula: - C46 H10 Cl3 F20 N5 O4 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 4377.1
Cell parameters: 19.2843; 8.2608; 28.316; 90; 103.985; 90;  

COD ID: 7232703
CIF file Formula: - C46 H10 Cl3 F20 N5 O4 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: P 1 21 1
Cell volume: 2141
Cell parameters: 14.5721; 9.2987; 15.8007; 90; 90.331; 90;  

COD ID: 7232704
CIF file Formula: - C45 H7 F20 N5 O6 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 11630.3
Cell parameters: 18.2714; 18.3261; 35.2109; 95.797; 97.429; 90.023;  

COD ID: 7232705
CIF file Formula: - C45 H7 F20 N5 O6 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: P 1 21 1
Cell volume: 17346.7
Cell parameters: 33.9547; 8.7071; 58.8064; 90; 93.851; 90;  

COD ID: 7232706
CIF file Formula: - C45 H11 F20 N5 O4 -
Comments: Yao, Yuhang; Rao, Yu; Liu, Yi-Wei; Jiang, Liang; Xiong, Jin; Fan, Ying-Jie; Shen, Zhen; Sessler, Jonathan L.; Zhang, Jun-Long Aromaticity versus Regioisomeric Effect of β-Substituents in Porphyrinoids Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/m 1
Cell volume: 5326.11
Cell parameters: 25.788; 16.3752; 12.6133; 90; 90.592; 90;  

COD ID: 7232811
CIF file Formula: - C32 H24 O6 -
Comments: Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 2381.2
Cell parameters: 11.5969; 13.4458; 15.9778; 90; 107.103; 90;  

COD ID: 7232812
CIF file Formula: - C32 H26 O6 -
Comments: Hirao, Yasukazu; Hamamoto, Yosuke; Nagamachi, Nobuhiro; Kubo, Takashi Solvent Viscosity-Dependent Isomerization Equilibrium of Tetramethoxy-Substituted Bianthrone Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 2786
Cell parameters: 25.4848; 7.819; 13.9952; 90; 92.559; 90;  

COD ID: 7232840
CIF file Formula: - C7 H18 B F4 N3 -
Comments: Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics (2019)
Space group: F m -3
Cell volume: 1287
Cell parameters: 10.877; 10.877; 10.877; 90; 90; 90;  

COD ID: 7232841
CIF file Formula: - C9 H18 F6 N4 O4 S2 -
Comments: Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 469.37
Cell parameters: 7.9127; 8.1869; 8.5091; 88.249; 63.336; 73.529;  

COD ID: 7232842
CIF file Formula: - C7 H18 F6 N3 P -
Comments: Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics (2019)
Space group: P a -3
Cell volume: 1321.55
Cell parameters: 10.9739; 10.9739; 10.9739; 90; 90; 90;  

COD ID: 7232843
CIF file Formula: - C9 H18 F6 N4 O4 S2 -
Comments: Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M. Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 1818.99
Cell parameters: 13.715; 8.6718; 15.6538; 90; 102.306; 90;  

COD ID: 7232911
CIF file Formula: - C26 H16 S2 -
Comments: Shen, Yue; Liu, Haichao; Cao, Jungang; Zhang, Shitong; Li, Weijun; Yang, Bing Unusual Temperature-Sensitive Excimer Fluorescence from Discrete π-π Dimer Stacking of Anthracene in a Crystal Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 3821.6
Cell parameters: 16.8912; 11.897; 19.6308; 90; 104.361; 90;  

COD ID: 7232988
CIF file Formula: - C62.71 H57.43 Br2 Cl3.43 N4 O -
Comments: Schreck, Maximilian Hubert; Breitschwerdt, Lena; Marciniak, Henning; Holzapfel, Marco; Schmidt, David; Wuerthner, Frank; Lambert, Christoph fs-ps Exciton dynamics in a stretched tetraphenylsquaraine polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 5844.3
Cell parameters: 12.3578; 19.6171; 24.1612; 90; 93.8074; 90;  

COD ID: 7233041
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 621.81
Cell parameters: 8.9309; 6.7591; 10.8963; 90; 109.028; 90;  

COD ID: 7233042
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 622.99
Cell parameters: 8.9363; 6.7653; 10.9019; 90; 109.053; 90;  

COD ID: 7233043
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 627.14
Cell parameters: 8.9459; 6.788; 10.9215; 90; 108.982; 90;  

COD ID: 7233044
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 625.17
Cell parameters: 8.9415; 6.7764; 10.9128; 90; 109.007; 90;  

COD ID: 7233045
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 625.24
Cell parameters: 8.9401; 6.778; 10.9123; 90; 108.995; 90;  

COD ID: 7233046
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 623.72
Cell parameters: 8.936; 6.7693; 10.9057; 90; 109.008; 90;  

COD ID: 7233047
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 628.38
Cell parameters: 8.9479; 6.7968; 10.9255; 90; 108.967; 90;  

COD ID: 7233048
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 631.51
Cell parameters: 8.9566; 6.8133; 10.9391; 90; 108.913; 90;  

COD ID: 7233049
CIF file Formula: - C4 H9 Cl Cu S -
Comments: Schlachter, Adrien Camille; Bonnot, Antoine; Fortin, Daniel; Karsenti, Paul-Ludovic; Knorr, Michael; Harvey, Pierre D. Unusual Triplet-Triplet Annihilation in a 3D Copper Chloride Coordination Polymer Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 623.26
Cell parameters: 8.9369; 6.7675; 10.9024; 90; 109.052; 90;  

COD ID: 7233072
CIF file Formula: - C20 H24 N2 O4 -
Comments: Paul, Mathias; Peckelsen, Katrin; Thomulka, Thomas; Neudoerfl, Joerg; Martens, Jonathan; Berden, Giel; Oomens, Jos; Berkessel, Albrecht; Meijer, Anthony J. H. M.; Schäfer, Mathias Hydrogen Tunneling Avoided: Enol-Formation From a Charge-tagged Phenyl Pyruvic Acid Derivative Evidenced by Tandem-MS, IR Ion Spectroscopy and Theory Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 895.44
Cell parameters: 8.6578; 10.0035; 11.6371; 78.764; 75.978; 67.163;  

COD ID: 7233073
CIF file Formula: - C26 H37 I2 N3 O7 -
Comments: Paul, Mathias; Peckelsen, Katrin; Thomulka, Thomas; Neudoerfl, Joerg; Martens, Jonathan; Berden, Giel; Oomens, Jos; Berkessel, Albrecht; Meijer, Anthony J. H. M.; Schäfer, Mathias Hydrogen Tunneling Avoided: Enol-Formation From a Charge-tagged Phenyl Pyruvic Acid Derivative Evidenced by Tandem-MS, IR Ion Spectroscopy and Theory Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 1576.24
Cell parameters: 10.2439; 11.9323; 14.7966; 72.918; 83.311; 65.747;  

COD ID: 7233098
CIF file Formula: - C10 H10 N2 O3 -
Comments: Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej Toward a new type of proton conductors based on imidazole and aromatic acids Physical Chemistry Chemical Physics (2019)
Space group: P b c a
Cell volume: 1972.89
Cell parameters: 11.0905; 10.9922; 16.1833; 90; 90; 90;  

COD ID: 7233099
CIF file Formula: - C10 H10 N2 O2 -
Comments: Zięba, Sylwia; Dubis, Alina Teresa; Gzella, Andrzej K.; Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Lapinski, Andrzej Toward a new type of proton conductors based on imidazole and aromatic acids Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 928.56
Cell parameters: 8.7106; 12.3618; 9.2744; 90; 111.594; 90;  

COD ID: 7233189
CIF file Formula: - C19 H18 N2 O3 -
Comments: Yu, Binhong; Wang, Yi; Wang, Lingrui; Tan, Xiao; Zhang, Yumo; Wang, Kai; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An Spontaneous proton transfer in a series of amphoteric molecules under hydrostatic pressure Physical Chemistry Chemical Physics (2019)
Space group: P c c n
Cell volume: 3302.3
Cell parameters: 17.361; 25.237; 7.5371; 90; 90; 90;  

COD ID: 7233235
CIF file Formula: - C96 H108 Ni6 S12 -
Comments: Pembere, Anthony M.; Cui, Chaonan; Anumula, Rajini; Wu, Huiming; An, Pan; Liang, Tongling; Luo, Zhixun A Hexagonal Ni6 Cluster Protected by 2-Phenylethanethiol for Catalytic Conversion of Toluene to Benzaldehyde Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 4528
Cell parameters: 11.244; 12.415; 32.461; 90; 92.071; 90;  

COD ID: 7233312
CIF file Formula: - C39 H30 Cl N3 O Os P2 -
Comments: Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 3443
Cell parameters: 12.956; 21.353; 13.256; 90; 110.133; 90;  

COD ID: 7233313
CIF file Formula: - C40.5 H36 Cl N3 O1.5 Os P2 -
Comments: Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics (2019)
Space group: I 41
Cell volume: 14405
Cell parameters: 23.138; 23.138; 26.906; 90; 90; 90;  

COD ID: 7233314
CIF file Formula: - C39 H34 Cl N3 O2 Os P2 -
Comments: Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(Cl)(CO)(P^P)(pbi)] complexes bearing bidentate phosphine and 2-(2-pyridyl)benzimidazolate ligands: impact of isomerism on their luminescence properties Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/c 1
Cell volume: 3412.2
Cell parameters: 18.17; 11.651; 16.431; 90; 101.198; 90;  

COD ID: 7233369
CIF file Formula: - C35 H55 Cl N4 O4 -
Comments: Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics (2019)
Space group: P b c a
Cell volume: 7178.2
Cell parameters: 16.6055; 19.9177; 21.7032; 90; 90; 90;  

COD ID: 7233370
CIF file Formula: - C33 H49 Cl N4 O3 -
Comments: Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 6692.1
Cell parameters: 24.8659; 15.3224; 20.1555; 90; 119.374; 90;  

COD ID: 7233371
CIF file Formula: - C36 H52 Br N4 O3 -
Comments: Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 6922.2
Cell parameters: 29.018; 15.6456; 19.7456; 90; 129.451; 90;  

COD ID: 7233372
CIF file Formula: - C35 H51 Br Cl6 N4 O3 -
Comments: Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/c 1
Cell volume: 4273.8
Cell parameters: 21.169; 12.0506; 16.8977; 90; 97.492; 90;  

COD ID: 7233373
CIF file Formula: - C35 H55 Br N4 O4 -
Comments: Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics (2019)
Space group: P b c a
Cell volume: 7298.5
Cell parameters: 16.9397; 19.8774; 21.6754; 90; 90; 90;  

COD ID: 7233374
CIF file Formula: - C68 H104 I2 N8 O7 -
Comments: Cheisson, Thibault; Jian, Jiwen; Su, Jing; Eaton, Teresa M.; Gau, Michael; Carroll, Patrick; Batista, Enrique R.; Yang, Ping; Gibson, John K.; Schelter, Eric J. Halide Anion Discrimination by a Tripodal Hydroxylamine Ligand in Gas and Condensed Phases Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/c 1
Cell volume: 7130.6
Cell parameters: 9.8928; 34.9965; 20.5965; 90; 90.45; 90;  

COD ID: 7233533
CIF file Formula: - C11 H16 N O4 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 563.89
Cell parameters: 5.8474; 8.9093; 11.586; 99.477; 93.462; 107.504;  

COD ID: 7233534
CIF file Formula: - C11 H15 N O4 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/c 1
Cell volume: 1138.7
Cell parameters: 13.045; 5.6577; 16.169; 90; 107.412; 90;  

COD ID: 7233535
CIF file Formula: - C23 H34 N2 O8 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 2385.6
Cell parameters: 17.704; 6.2; 21.99; 90; 98.751; 90;  

COD ID: 7233536
CIF file Formula: - C12 H20 N O5 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 2739.2
Cell parameters: 28.0334; 5.4264; 18.2828; 90; 99.968; 90;  

COD ID: 7233537
CIF file Formula: - C10 H14 N O4 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/c 1
Cell volume: 1038.8
Cell parameters: 12.997; 7.236; 12.376; 90; 116.81; 90;  

COD ID: 7233538
CIF file Formula: - C9 H13 N O2 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P 1 21/n 1
Cell volume: 887.5
Cell parameters: 8.869; 12.103; 9.009; 90; 113.4; 90;  

COD ID: 7233539
CIF file Formula: - C12 H20 N O5 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: C 1 2/c 1
Cell volume: 2676.1
Cell parameters: 28.333; 5.241; 18.325; 90; 100.435; 90;  

COD ID: 7233540
CIF file Formula: - C11 H15.5 N O4.5 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 567.16
Cell parameters: 5.7487; 8.9795; 11.6493; 100.209; 90.688; 106.188;  

COD ID: 7233541
CIF file Formula: - C22 H32 N2 O10 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 1133.28
Cell parameters: 9.5357; 11.1714; 11.4964; 89.067; 70.401; 79.552;  

COD ID: 7233542
CIF file Formula: - C22 H32 N2 O10 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: P 1
Cell volume: 571.19
Cell parameters: 5.6127; 9.3029; 11.6456; 101.243; 91.903; 105.888;  

COD ID: 7233543
CIF file Formula: - C13 H18 N O5 -
Comments: Dash, Sibananda G.; Thakur, Tejender S. Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. Physical Chemistry Chemical Physics (2019)
Space group: I 1 2/a 1
Cell volume: 2657.1
Cell parameters: 15.4695; 11.6758; 15.9648; 90; 112.858; 90;  

COD ID: 7234232
CIF file Formula: - C22 H16 N4 S6 -
Comments: Kiyota, Yasuhiro; Jeon, Ie-Rang; Jeannin, olivier; Beau, Maxime; Kawamoto, Tadashi; Alemany, Pere; Canadell, Enric; Mori, Takehiko; Fourmigue, Marc Electronic engineering of a tetrathiafulvalene charge-transfer salt via reduced symmetry induced by combined substituents Physical Chemistry Chemical Physics (2019)
Space group: P -1
Cell volume: 554.13
Cell parameters: 3.8415; 7.627; 18.9474; 90.79; 90.292; 93.35;  

COD ID: 7242073
CIF file Formula: - C17 H23 Cl3 N2 O5 -
Comments: Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 1032.86
Cell parameters: 10.0026; 10.14; 10.8176; 108.089; 96.421; 92.493;  

COD ID: 7242074
CIF file Formula: - C30 H44 N4 O13.5 -
Comments: Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics (2021)
Space group: I 1 2/a 1
Cell volume: 6989.22
Cell parameters: 18.9606; 14.2438; 25.8792; 90; 90.02; 90;  

COD ID: 7242075
CIF file Formula: - C16 H30 N2 O9 -
Comments: Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/n 1
Cell volume: 1996.57
Cell parameters: 14.92326; 8.57252; 15.64663; 90; 94.0935; 90;  

COD ID: 7242076
CIF file Formula: - C15 H19 N O5 -
Comments: Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/n 1
Cell volume: 1480.6
Cell parameters: 7.9743; 17.9548; 10.8807; 90; 108.121; 90;  

COD ID: 7242165
CIF file Formula: - C58 H55 Cl2 Cu2 N9 O4 -
Comments: Velasco, Lucia; Llanos, Leonel; Levin, Pedro; Vega, Andres; Yu, Jin; Zhang, Xiaoyi; Lemus, Luis A.; Aravena, Daniel; Moonshiram, Dooshaye Structure and Excited-State Dynamics of Dimeric Copper(I) photosensitizers Investigated by Time-resolved X-ray and Optical Transient Absorption Spectroscopy Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 2553.9
Cell parameters: 12.1101; 15.0255; 15.7251; 75.136; 67.643; 87.203;  

COD ID: 7242258
CIF file Formula: - C27 H39 N3 O9 -
Comments: Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 6079.25
Cell parameters: 13.6976; 15.5866; 28.4803; 90; 91.167; 90;  

COD ID: 7242259
CIF file Formula: - C27 H39 N3 O9 -
Comments: Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer Physical Chemistry Chemical Physics (2021)
Space group: P a -3
Cell volume: 6115.74
Cell parameters: 18.2873; 18.2873; 18.2873; 90; 90; 90;  

COD ID: 7242260
CIF file Formula: - C21 H16 N2 O5 S -
Comments: Custodio, Jean; d'Oliveira, Giulio Demetrius Creazo; Gotardo, Fernando; Cocca, Leandro; Boni, Leonardo De; Perez, Caridad; Napolitano, Hamilton; Osório, Francisco; Valverde, Clodoaldo Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 1934.3
Cell parameters: 14.0149; 7.6562; 18.38; 90; 101.242; 90;  

COD ID: 7242414
CIF file Formula: - C34 H42 O8 S2 -
Comments: Guilbert, Anne A. Y.; Parr, Zachary S.; Kreouzis, Theo; Woods, Duncan J.; Sprick, Reiner Sebastian; Abrahams, I.; Nielsen, Christian; Zbiri, Mohamed Effect of substituting non-polar chains with polar chains on the structural dynamics of small organic molecule and polymer semiconductors Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 1592.17
Cell parameters: 22.969; 8.1561; 8.6458; 90; 100.575; 90;  

COD ID: 7242513
CIF file Formula: - C12 H10 F3 N3 O4 -
Comments: Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 674.59
Cell parameters: 7.5763; 8.5961; 10.7211; 100.721; 99.964; 91.329;  

COD ID: 7242514
CIF file Formula: - C12 H10 F3 N3 O4 -
Comments: Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics (2021)
Space group: C 1 2/c 1
Cell volume: 2608.95
Cell parameters: 11.1754; 10.0868; 23.6466; 90; 101.827; 90;  

COD ID: 7242535
CIF file Formula: - C93 H93 Cl26 Mn6 N15 O28 -
Comments: Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling Physical Chemistry Chemical Physics (2021)
Space group: P -3 1 c
Cell volume: 5952.6
Cell parameters: 16.7906; 16.7906; 24.3807; 90; 90; 120;  

COD ID: 7242619
CIF file Formula: - C22 H20 O2 S -
Comments: Yakali, Gul Examination of Aggregation Induced Enhanced Emission in a Propeller Shaped Chiral- Nonconjugated Blue Emitter from Restricted Intramolecular Rotation and J Type π⋯π Stacking Interactions Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 1810.6
Cell parameters: 18.7765; 5.7331; 17.6642; 90; 107.791; 90;  

COD ID: 7242715
CIF file Formula: - C52 H36 N2 -
Comments: Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes Physical Chemistry Chemical Physics (2021)
Space group: I b a 2
Cell volume: 3581.5
Cell parameters: 18.0128; 27.5447; 7.2185; 90; 90; 90;  

COD ID: 7242746
CIF file Formula: - C47 H41 N3 O2 -
Comments: Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics (2021)
Space group: C 1 c 1
Cell volume: 14401.1
Cell parameters: 31.5211; 14.7867; 33.4555; 90; 112.551; 90;  

COD ID: 7242747
CIF file Formula: - C51 H49 N3 O2 -
Comments: Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics (2021)
Space group: P 1 n 1
Cell volume: 8119.7
Cell parameters: 21.61054; 13.8187; 28.98487; 90; 110.27; 90;  

COD ID: 7242790
CIF file Formula: - C74 H154 Mo12 N8 O36 -
Comments: Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 2586.7
Cell parameters: 11.5075; 12.0506; 19.3113; 76.208; 84.833; 85.902;  

COD ID: 7242805
CIF file Formula: - C40 H34 Cl8 N4 O6 -
Comments: Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 1026.25
Cell parameters: 8.083; 9.0956; 15.0054; 82.8035; 80.0928; 71.2636;  

COD ID: 7242806
CIF file Formula: - C22 H18 Cl4 N2 O5 -
Comments: Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 2298.73
Cell parameters: 8.8026; 8.8626; 29.7363; 83.6323; 85.5987; 89.666;  

COD ID: 7242807
CIF file Formula: - C40 H32 Cl8 N4 O6 -
Comments: Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 1000.15
Cell parameters: 8.1544; 8.9059; 14.8899; 81.5113; 81.5921; 70.0821;  

COD ID: 7242808
CIF file Formula: - C42 H38 Cl8 N4 O6 -
Comments: Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 2298.7
Cell parameters: 12.6233; 13.3497; 16.0081; 103.462; 100.435; 113.091;  

COD ID: 7242809
CIF file Formula: - C36 H30 Cl8 N4 O3 -
Comments: Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/n 1
Cell volume: 3808.1
Cell parameters: 7.9812; 32.6965; 14.5964; 90; 91.2751; 90;  

COD ID: 7242952
CIF file Formula: - C86 H86 N36 O20 -
Comments: Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M. Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 9328.4
Cell parameters: 14.3621; 24.1237; 27.1906; 90; 98.023; 90;  

COD ID: 7243264
CIF file Formula: - C30 H26 N4 O4 -
Comments: Witte, Felix; Rietsch, Philipp; Nirmalananthan-Budau, Nithiya; Weigert, Florian; Götze, Jan Phillip; Resch-Genger, Ute; Eigler, Siegfried; Paulus, Beate Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 1352.99
Cell parameters: 9.4525; 11.1197; 14.5433; 97.639; 108.409; 106.008;  

COD ID: 7243365
CIF file Formula: - C30 H28 N4 O6 Zn2 -
Comments: Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics (2021)
Space group: I 1 2/a 1
Cell volume: 11112.6
Cell parameters: 23.5031; 14.9393; 33.0899; 90; 106.97; 90;  

COD ID: 7243366
CIF file Formula: - C27 H28 Cl N3.5 O8.5 Zn -
Comments: Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics (2021)
Space group: C 1 2/c 1
Cell volume: 11215.6
Cell parameters: 27.9433; 13.2179; 31.7637; 90; 107.063; 90;  

COD ID: 7243370
CIF file Formula: - C9 H10 B F2 N O3 -
Comments: Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher Photophysical properties of a boron analogue of coumarin Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 995.6
Cell parameters: 6.5253; 11.9; 13.029; 90; 100.248; 90;  

COD ID: 7243395
CIF file Formula: - C43 H80 Cr K2 N6 O17 -
Comments: Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics (2021)
Space group: P 1
Cell volume: 1316.98
Cell parameters: 10.9523; 11.63; 12.6749; 63.886; 66.66; 86.853;  

COD ID: 7243396
CIF file Formula: - C41 H72 K2 Mo N4 O17 -
Comments: Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W) Physical Chemistry Chemical Physics (2021)
Space group: P 1
Cell volume: 1339.97
Cell parameters: 10.884; 11.6242; 12.7269; 64.679; 68.734; 88.596;  

COD ID: 7243496
CIF file Formula: - C16 H11 N O2 -
Comments: Ikeda, Kazuho; Yoo, Dongho; Nishikawa, Ryu; Kawamoto, Tadashi; Mori, Takehiko Charge injected proton transfer in indigo derivatives Physical Chemistry Chemical Physics (2021)
Space group: C 1 c 1
Cell volume: 4797.3
Cell parameters: 52.556; 3.8744; 24.2104; 90; 103.315; 90;  

COD ID: 7243523
CIF file Formula: - C84 H54 N16 O6 S3 -
Comments: Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics (2021)
Space group: R -3 :H
Cell volume: 11710.4
Cell parameters: 21.023; 21.023; 30.595; 90; 90; 120;  

COD ID: 7243524
CIF file Formula: - C34 H15 N9 -
Comments: Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics (2021)
Space group: P 1 2/a 1
Cell volume: 1378.87
Cell parameters: 10.7358; 9.7979; 13.1395; 90; 93.928; 90;  

COD ID: 7243525
CIF file Formula: - C77 H76 N10 O4 S2 -
Comments: Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 3479.5
Cell parameters: 12.2334; 16.0882; 18.7919; 107.984; 97.849; 90.566;  

COD ID: 7243527
CIF file Formula: - C17 H33 F6 Mo N4 O3 P -
Comments: Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes; Nagel, Christoph; Marquetand, Philipp; Schatzschneider, Ulrich; González, Leticia; Nuernberger, Patrick Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand Physical Chemistry Chemical Physics (2021)
Space group: P b c a
Cell volume: 4653.2
Cell parameters: 17.1434; 14.9459; 18.1606; 90; 90; 90;  

COD ID: 7243614
CIF file Formula: - C30 H19 P S6 Se -
Comments: Yang, Zi; Zhang, Zhikai; Xue, CeCe; Yang, Kai; Gao, Rong; Yu, Na; Ren, Yi Excited-State Engineering of Oligothiophenes via Phosphorus Chemistry towards Strong Fluorescent Materials Physical Chemistry Chemical Physics (2021)
Space group: P -1
Cell volume: 2807.7
Cell parameters: 8.8726; 12.5498; 25.9772; 92.616; 97.874; 100.725;  

COD ID: 7243726
CIF file Formula: - C45 H38 Br2 N7 O2 S0.5 -
Comments: Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 1933
Cell parameters: 15.8195; 4.6302; 26.812; 90; 100.182; 90;  

COD ID: 7243727
CIF file Formula: - C43.88 H36.62 Br2 Cl0.62 N6 O2.62 -
Comments: Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 1918.4
Cell parameters: 15.782; 4.6143; 26.78; 90; 100.354; 90;  

COD ID: 7243728
CIF file Formula: - C42 H36 Br2 I0.69 N6 O2 -
Comments: Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S. Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests. Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 1930.6
Cell parameters: 15.871; 4.6048; 26.839; 90; 100.177; 90;  

COD ID: 7243742
CIF file Formula: - C54 H62 Cl6 F6 Ir N6 O4 P -
Comments: Martínez-Vollbert, Emiliano; Philouze, Christian; Gautier-Luneau, Isabelle; Moreau, Yohann; Lanoë, Pierre-Henri; Loiseau, Frederique Study of a phosphorescent cationic iridium(III) complex displaying blue shift in crystals Physical Chemistry Chemical Physics (2021)
Space group: C 1 2/c 1
Cell volume: 5912
Cell parameters: 19.554; 22.055; 15.394; 90; 117.07; 90;  

COD ID: 7243834
CIF file Formula: - C30 H49 N5 O4 -
Comments: Polacchi, Luca; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence Enhanced mechano-responsive fluorescence in polydiacetylene thin films through functionalization with tetrazine dyes: photopolymerization, energy transfer and AFM coupled to fluorescence microscopy studies Physical Chemistry Chemical Physics (2021)
Space group: P 1
Cell volume: 1540.3
Cell parameters: 7.1986; 7.591; 28.718; 84.702; 89.324; 80.32;  

COD ID: 7243845
CIF file Formula: - C32 H63 N O3 -
Comments: Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics (2021)
Space group: P c a 21
Cell volume: 3110.8
Cell parameters: 8.7755; 4.8774; 72.679; 90; 90; 90;  

COD ID: 7243846
CIF file Formula: - C29 H55 N O3 -
Comments: Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics (2021)
Space group: C 1 2/c 1
Cell volume: 5766
Cell parameters: 135.24; 4.8798; 8.7392; 90; 91.27; 90;  

COD ID: 7243847
CIF file Formula: - C31 H61 N O3 -
Comments: Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics (2021)
Space group: C 1 2/c 1
Cell volume: 6169
Cell parameters: 144.31; 4.888; 8.748; 90; 91.444; 90;  

COD ID: 7243848
CIF file Formula: - C2 H3.93 N0.07 O0.2 -
Comments: Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics (2021)
Space group: P 1 21/c 1
Cell volume: 2977
Cell parameters: 68.97; 4.852; 8.906; 90; 92.787; 90;  

COD ID: 7243849
CIF file Formula: - C31 H60 N O3 -
Comments: Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J. Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study Physical Chemistry Chemical Physics (2021)
Space group: C 1 2/c 1
Cell volume: 6106.4
Cell parameters: 143.4; 4.8764; 8.7342; 90; 91.137; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.