Crystallography Open Database

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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 12

COD ID: 7211859
CIF file Formula: - C57.5 H64.25 F12 N9.25 O0.25 P2 Ru -
Comments: Kuhnt, Christian; Karnahl, Michael; Tschierlei, Stefanie; Griebenow, Kristin; Schmitt, Michael; Schäfer, Bernhard; Krieck, Sven; Görls, Helmar; Rau, Sven; Dietzek, Benjamin; Popp, Jürgen Substitution-controlled ultrafast excited-state processes in Ru-dppz-derivatives. Physical chemistry chemical physics : PCCP 12(6) (2010) 1357-1368
Space group: P -1
Cell volume: 5907.8
Cell parameters: 16.6339; 17.8896; 23.0113; 99.969; 102.875; 112.505;  

COD ID: 7211896
CIF file Formula: - C13 H14 N2 -
Comments: Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. Physical chemistry chemical physics : PCCP 12(15) (2010) 3824-3833
Space group: P 21 21 21
Cell volume: 1083.82
Cell parameters: 5.9003; 9.5998; 19.1346; 90; 90; 90;  

COD ID: 7211897
CIF file Formula: - C13 H16 Cl2 N2 -
Comments: Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. Physical chemistry chemical physics : PCCP 12(15) (2010) 3824-3833
Space group: P 1 2/n 1
Cell volume: 678.1
Cell parameters: 6.0828; 4.5346; 24.586; 90; 90.694; 90;  

COD ID: 7211898
CIF file Formula: - C39 H46 Cl2 N6 O -
Comments: Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. Physical chemistry chemical physics : PCCP 12(15) (2010) 3824-3833
Space group: C 1 2 1
Cell volume: 1763.14
Cell parameters: 25.6208; 5.7067; 13.7826; 90; 118.962; 90;  

COD ID: 7212128
CIF file Formula: - C9 H17 I N2 -
Comments: Cui, Yugang; Biondi, Ilaria; Chaubey, Manish; Yang, Xue; Fei, Zhaofu; Scopelliti, Rosario; Hartinger, Christian G.; Li, Yongdan; Chiappe, Cinzia; Dyson, Paul J. Nitrile-functionalized pyrrolidinium ionic liquids as solvents for cross-coupling reactions involving in situ generated nanoparticle catalyst reservoirs. Physical chemistry chemical physics : PCCP 12(8) (2010) 1834-1841
Space group: P b c a
Cell volume: 2276.73
Cell parameters: 13.0165; 9.4458; 18.5173; 90; 90; 90;  

COD ID: 7212135
CIF file Formula: - C19 H20 N8 -
Comments: Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan A europium complex with enhanced long-wavelength sensitized luminescent properties. Physical chemistry chemical physics : PCCP 12(13) (2010) 3195-3202
Space group: P 1 21/c 1
Cell volume: 1839
Cell parameters: 5.8827; 17.349; 18.563; 90; 103.9; 90;  

COD ID: 7212136
CIF file Formula: - C23 H28 N8 -
Comments: Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan A europium complex with enhanced long-wavelength sensitized luminescent properties. Physical chemistry chemical physics : PCCP 12(13) (2010) 3195-3202
Space group: P b c n
Cell volume: 2150.9
Cell parameters: 16.807; 16.647; 7.6875; 90; 90; 90;  

COD ID: 7212137
CIF file Formula: - C35 H43 B N2 Ni O2 -
Comments: Bartosik, Joanna; Mudring, Anja-Verena [Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids. Physical chemistry chemical physics : PCCP 12(16) (2010) 4005-4011
Space group: P 1 21/n 1
Cell volume: 3161.8
Cell parameters: 16.834; 12.107; 17.066; 90; 114.63; 90;  

COD ID: 7212147
CIF file Formula: - C9 H20 Cl4 Fe N -
Comments: Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W Ionic liquids and solids with paramagnetic anions. Physical chemistry chemical physics : PCCP 12(31) (2010) 8919-8925
Space group: P 63 m c
Cell volume: 763.02
Cell parameters: 8.223; 8.223; 13.03; 90; 90; 120;  

COD ID: 7212148
CIF file Formula: - C13 H30 Cl4 Fe N -
Comments: Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W Ionic liquids and solids with paramagnetic anions. Physical chemistry chemical physics : PCCP 12(31) (2010) 8919-8925
Space group: P c a 21
Cell volume: 3964.5
Cell parameters: 15.366; 14.861; 17.361; 90; 90; 90;  

COD ID: 7212165
CIF file Formula: - C20 H17 F6 N3 O4 S2 -
Comments: Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J. Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids. Physical chemistry chemical physics : PCCP 12(8) (2010) 1842-1853
Space group: P 1 21/c 1
Cell volume: 2311.3
Cell parameters: 10.807; 15.6746; 13.6445; 90; 90.318; 90;  

COD ID: 7212166
CIF file Formula: - C21 H19 F6 N3 O4 S2 -
Comments: Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J. Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids. Physical chemistry chemical physics : PCCP 12(8) (2010) 1842-1853
Space group: P 1 21/c 1
Cell volume: 2416.4
Cell parameters: 10.8851; 15.9998; 13.8814; 90; 91.766; 90;  

COD ID: 7212175
CIF file Formula: - C12 H9 Cl N4 -
Comments: Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects. Physical chemistry chemical physics : PCCP 12(19) (2010) 5126-5139
Space group: P 1 21/n 1
Cell volume: 1111.26
Cell parameters: 4.9073; 24.24; 9.3569; 90; 93.236; 90;  

COD ID: 7212176
CIF file Formula: - C12 H9 Cl N4 -
Comments: Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects. Physical chemistry chemical physics : PCCP 12(19) (2010) 5126-5139
Space group: P 1 21/n 1
Cell volume: 1082.82
Cell parameters: 14.719; 4.9706; 15.8872; 90; 111.317; 90;  

COD ID: 7212177
CIF file Formula: - C12 H9 I N4 -
Comments: Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects. Physical chemistry chemical physics : PCCP 12(19) (2010) 5126-5139
Space group: P 1 21/n 1
Cell volume: 1145.09
Cell parameters: 15.2864; 4.9202; 16.7267; 90; 114.466; 90;  

COD ID: 7212202
CIF file Formula: - C10 H23 Cl N2 O Si2 -
Comments: Niedermeyer, Heiko; Ab Rani, Mohd Azri; Lickiss, Paul D.; Hallett, Jason P.; Welton, Tom; White, Andrew J. P.; Hunt, Patricia A. Understanding siloxane functionalised ionic liquids. Physical chemistry chemical physics : PCCP 12(8) (2010) 2018-2029
Space group: P 1 21/c 1
Cell volume: 1598.93
Cell parameters: 15.1593; 8.54934; 12.6684; 90; 103.13; 90;  

COD ID: 7212245
CIF file Formula: - O3 Sr Ti -
Comments: Longo, Valéria Moraes; das Graça Sampaio Costa, Maria; Zirpole Simões, Alexandre; Rosa, Ieda Lúcia Viana; Santos, Carlos Oliveira Paiva; Andrés, Juan; Longo, Elson; Varela, José Arana On the photoluminescence behavior of samarium-doped strontium titanate nanostructures under UV light. A structural and electronic understanding. Physical chemistry chemical physics : PCCP 12(27) (2010) 7566-7579
Space group: P m -3 m
Cell volume: 59.547
Cell parameters: 3.905; 3.905; 3.905; 90; 90; 90;  

COD ID: 7212280
CIF file Formula: - C23 H31 N O5 -
Comments: Bica, Katharina; Rijksen, Christiaan; Nieuwenhuyzen, Mark; Rogers, Robin D. In search of pure liquid salt forms of aspirin: ionic liquid approaches with acetylsalicylic acid and salicylic acid. Physical chemistry chemical physics : PCCP 12(8) (2010) 2011-2017
Space group: P -1
Cell volume: 1064.2
Cell parameters: 9.051; 9.834; 12.765; 74.69; 89.45; 76.56;  

COD ID: 7212329
CIF file Formula: - C6 H12 I O Re S3 -
Comments: De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study. Physical chemistry chemical physics : PCCP 12(31) (2010) 8792-8803
Space group: P 21 21 21
Cell volume: 1231.34
Cell parameters: 8.9219; 10.0914; 13.6763; 90; 90; 90;  

COD ID: 7212330
CIF file Formula: - C8 H17 O Re S4 -
Comments: De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study. Physical chemistry chemical physics : PCCP 12(31) (2010) 8792-8803
Space group: P 21 21 21
Cell volume: 1412.62
Cell parameters: 8.1147; 10.5897; 16.4388; 90; 90; 90;  

COD ID: 7212331
CIF file Formula: - C8 H17 O Re S4 -
Comments: De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study. Physical chemistry chemical physics : PCCP 12(31) (2010) 8792-8803
Space group: P 1 21/n 1
Cell volume: 1416.9
Cell parameters: 8.1618; 16.1619; 10.9861; 90; 102.115; 90;  

COD ID: 7212338
CIF file Formula: - C57 H54 Cl N4 O12 Rh -
Comments: Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts. Physical chemistry chemical physics : PCCP 12(31) (2010) 8968-8976
Space group: P -1
Cell volume: 3140.2
Cell parameters: 10.014; 17.88; 18.207; 101.013; 97.413; 96.628;  

COD ID: 7212339
CIF file Formula: - C50 H42 Cl N4 O5 Rh -
Comments: Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts. Physical chemistry chemical physics : PCCP 12(31) (2010) 8968-8976
Space group: C 1 2/c 1
Cell volume: 8640
Cell parameters: 23.601; 9.222; 39.715; 90; 91.825; 90;  

COD ID: 7212400
CIF file Formula: - C43 H34 N4 -
Comments: Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability. Physical chemistry chemical physics : PCCP 12(28) (2010) 7772-7774
Space group: P 1 21/a 1
Cell volume: 3396.33
Cell parameters: 16.5817; 11.9938; 17.3483; 90; 100.137; 90;  

COD ID: 7212401
CIF file Formula: - C42 H34 N4 O2 -
Comments: Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability. Physical chemistry chemical physics : PCCP 12(28) (2010) 7772-7774
Space group: P 1 21/a 1
Cell volume: 3444.95
Cell parameters: 16.5256; 12.1737; 17.4298; 90; 100.75; 90;  

COD ID: 7212497
CIF file Formula: - C11 H7 N S4 -
Comments: Riobé, François; Avarvari, Narcis; Grosshans, Philippe; Sidorenkova, Helena; Berclaz, Théo; Geoffroy, Michel Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies. Physical chemistry chemical physics : PCCP 12(33) (2010) 9650-9660
Space group: P 1 21/a 1
Cell volume: 1180.5
Cell parameters: 11.767; 8.302; 12.991; 90; 111.53; 90;  

COD ID: 7212614
CIF file Formula: - C4 H5 F O2 -
Comments: Belova, Natalya V.; Oberhammer, Heinz; Zeng, Xiaoqing; Gerken, Michael; Willner, Helge; Berger, Raphael J. F.; Hayes, Stuart A.; Mitzel, Norbert W. The keto/enol tautomerism in acetoacetyl fluoride: properties, spectroscopy, and gas-phase and crystal structures of the enol form. Physical chemistry chemical physics : PCCP 12(37) (2010) 11445-11453
Space group: P 1 21/n 1
Cell volume: 480.53
Cell parameters: 5.2191; 10.1429; 9.1807; 90; 98.605; 90;  

COD ID: 7212697
CIF file Formula: - C15 H14 O -
Comments: Lima, Carlos F. R. A. C.; Sousa, Carlos A. D.; Rodriguez-Borges, José E; Melo, André; Gomes, Lígia R; Low, John N.; Santos, Luís M N B F The role of aromatic interactions in the structure and energetics of benzyl ketones. Physical chemistry chemical physics : PCCP 12(37) (2010) 11228-11237
Space group: P 1 21/c 1
Cell volume: 1134.27
Cell parameters: 9.4756; 5.6597; 21.2859; 90; 96.472; 90;  

COD ID: 7212709
CIF file Formula: - C12 H26 N2 O4 -
Comments: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP 12(30) (2010) 8466-8477
Space group: P 1
Cell volume: 360.593
Cell parameters: 5.2357; 5.4251; 13.5733; 87.416; 88.994; 69.431;  

COD ID: 7212710
CIF file Formula: - C10 H22 N2 O4 S -
Comments: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP 12(30) (2010) 8466-8477
Space group: P 1 21 1
Cell volume: 716.46
Cell parameters: 9.8965; 4.6963; 16.1188; 90; 106.989; 90;  

COD ID: 7212711
CIF file Formula: - C10 H22 N2 O4 -
Comments: Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M. Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals. Physical chemistry chemical physics : PCCP 12(30) (2010) 8466-8477
Space group: P 1
Cell volume: 315.93
Cell parameters: 5.1725; 5.3955; 12.3952; 92.631; 94.747; 113.103;  

COD ID: 7212713
CIF file Formula: - C22 H43 Mo12 N5 O40 P Zn4 -
Comments: Rodriguez Albelo, L. Marleny; Ruiz-Salvador, A Rabdel; Lewis, Dewi W.; Gómez, Ariel; Mialane, Pierre; Marrot, Jérome; Dolbecq, Anne; Sampieri, Alvaro; Mellot-Draznieks, Caroline Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach. Physical chemistry chemical physics : PCCP 12(30) (2010) 8632-8639
Space group: P b c a
Cell volume: 15072
Cell parameters: 16.8676; 22.335; 40.007; 90; 90; 90;  

COD ID: 7212737
CIF file Formula: - C43 H45 N O2 S -
Comments: Aguiar, Francisco A.; Campos, Rui; Wang, Changsheng; Jitchati, Rukkiat; Batsanov, Andrei S.; Bryce, Martin R.; Kataky, Ritu Comparative electrochemical and impedance studies of self-assembled rigid-rod molecular wires and alkanethiols on gold substrates. Physical chemistry chemical physics : PCCP 12(44) (2010) 14804-14811
Space group: P -1
Cell volume: 1782.2
Cell parameters: 11.5674; 11.8696; 13.9863; 106.21; 102.5; 94.14;  

COD ID: 7212900
CIF file Formula: - C3 H7 N O3 -
Comments: Dobrowolski, Jan Cz; Jamróz, Michał H; Kołos, Robert; Rode, Joanna E.; Cyrański, Michał K; Sadlej, Joanna IR low-temperature matrix, X-ray and ab initio study on L-isoserine conformations. Physical chemistry chemical physics : PCCP 12(36) (2010) 10818-10830
Space group: P 21 21 2
Cell volume: 415.53
Cell parameters: 9.9244; 10.369; 4.038; 90; 90; 90;  

COD ID: 7212901
CIF file Formula: - C14 H20 B F2 N O2 -
Comments: Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters. Physical chemistry chemical physics : PCCP 12(40) (2010) 13126-13136
Space group: P 1 21/n 1
Cell volume: 1380.75
Cell parameters: 6.6681; 21.4324; 9.898; 90; 102.551; 90;  

COD ID: 7212902
CIF file Formula: - C14 H20 B F2 N O2 -
Comments: Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters. Physical chemistry chemical physics : PCCP 12(40) (2010) 13126-13136
Space group: P 1 21/n 1
Cell volume: 1380.75
Cell parameters: 6.6681; 21.4324; 9.898; 90; 102.551; 90;  

COD ID: 7212903
CIF file Formula: - C19 H23 Cl N2 O -
Comments: Clayden, Jonathan; Hennecke, Ulrich; Vincent, Mark A.; Hillier, Ian H.; Helliwell, Madeleine The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas. Physical chemistry chemical physics : PCCP 12(45) (2010) 15056-15064
Space group: P 21 21 21
Cell volume: 1787.5
Cell parameters: 8.9347; 12.25; 16.332; 90; 90; 90;  

COD ID: 7212904
CIF file Formula: - C20 H17 N S4 -
Comments: Mo, Hong; Radke, Karla R.; Ogawa, Katsu; Heth, Christopher L.; Erpelding, Brett T.; Rasmussen, Seth C. Solution and solid-state properties of highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligothiophenes. Physical chemistry chemical physics : PCCP 12(43) (2010) 14585-14595
Space group: P 1 21/c 1
Cell volume: 1903
Cell parameters: 17.489; 7.8855; 14.54; 90; 108.37; 90;  

COD ID: 7212905
CIF file Formula: - Ca9.8 Cd0.2 O26 P6 -
Comments: Terra, J.; Gonzalez, G. B.; Rossi, A. M.; Eon, J. G.; Ellis, D. E. Theoretical and experimental studies of substitution of cadmium into hydroxyapatite. Physical chemistry chemical physics : PCCP 12(47) (2010) 15490-15500
Space group: P 63/m
Cell volume: 530.38
Cell parameters: 9.432573; 9.432573; 6.883337; 90; 90; 120;  

COD ID: 7212906
CIF file Formula: - Ca8.77 Cd1.23 O26 P6 -
Comments: Terra, J.; Gonzalez, G. B.; Rossi, A. M.; Eon, J. G.; Ellis, D. E. Theoretical and experimental studies of substitution of cadmium into hydroxyapatite. Physical chemistry chemical physics : PCCP 12(47) (2010) 15490-15500
Space group: P 63/m
Cell volume: 527.93
Cell parameters: 9.422709; 9.422709; 6.865845; 90; 90; 120;  

COD ID: 7238275
CIF file Formula: - C30 H24 N2 Ni2 O8 -
Comments: Klein, Nicole; Herzog, Christin; Sabo, Michal; Senkovska, Irena; Getzschmann, Jürgen; Paasch, Silvia; Lohe, Martin R.; Brunner, Eike; Kaskel, Stefan Monitoring adsorption-induced switching by (129)Xe NMR spectroscopy in a new metal-organic framework Ni(2)(2,6-ndc)(2)(dabco). Physical chemistry chemical physics : PCCP 12(37) (2010) 11778-11784
Space group: P 4/n :2
Cell volume: 3190
Cell parameters: 18.4312; 18.4312; 9.3905; 90; 90; 90;  


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