Crystallography Open Database

Result : There are 26 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

Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 109

COD ID: 1506369
CIF file Formula: - C64 H80 N8 Ni O8 -
Comments: Gunaratne, Tissa C.; Gusev, Alexey V.; Peng, Xinzhan; Rosa, Angela; Ricciardi, Giampaolo; Baerends, Evert Jan; Rizzoli, Corrado; Kenney, Malcolm E.; Rodgers, Michael A. J. Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies. The journal of physical chemistry. A 109(10) (2005) 2078-2089
Space group: P -1
Cell volume: 3069.2
Cell parameters: 14.107; 14.121; 16.871; 86.52; 72.52; 73.3;  

COD ID: 1506371
CIF file Formula: - C44 H64 N4 O4 P2 Pt -
Comments: Cooper, Thomas M.; Hall, Benjamin C.; McLean, Daniel G.; Rogers, Joy E.; Burke, Aaron R.; Turnbull, Kenneth; Weisner, Andrew; Fratini, Albert; Liu, Yao; Schanze, Kirk S. Structure-optical property relationships in organometallic sydnones. The journal of physical chemistry. A 109(6) (2005) 999-1007
Space group: P -1
Cell volume: 1128.32
Cell parameters: 10.9367; 11.2973; 11.4492; 110.738; 109.796; 104.578;  

COD ID: 1506372
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 888
Cell parameters: 6.744; 6.79; 19.472; 90; 95.159; 90;  

COD ID: 1506373
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 890
Cell parameters: 6.7679; 6.779; 19.487; 90; 95.446; 90;  

COD ID: 1506374
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 892
Cell parameters: 6.774; 6.803; 19.441; 90; 95.329; 90;  

COD ID: 1506375
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 897.9
Cell parameters: 6.787; 6.802; 19.532; 90; 95.266; 90;  

COD ID: 1506376
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 907.8
Cell parameters: 6.831; 6.838; 19.525; 90; 95.482; 90;  

COD ID: 1506377
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 899.28
Cell parameters: 6.7989; 6.8226; 19.4639; 90; 95.102; 90;  

COD ID: 1506378
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 907.2
Cell parameters: 6.8272; 6.8456; 19.484; 90; 94.983; 90;  

COD ID: 1506379
CIF file Formula: - C7 H14 N4 O3 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid. The journal of physical chemistry. A 109(9) (2005) 1911-1919
Space group: P 1 21/n 1
Cell volume: 875.347
Cell parameters: 6.726; 6.732; 19.418; 90; 95.391; 90;  

COD ID: 1506380
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 728.3
Cell parameters: 4.0567; 5.9409; 30.223; 90; 91.019; 90;  

COD ID: 1506381
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 731.9
Cell parameters: 4.0688; 5.9466; 30.253; 90; 90.982; 90;  

COD ID: 1506382
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 736.5
Cell parameters: 4.0778; 5.9724; 30.243; 90; 90.893; 90;  

COD ID: 1506383
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 737.9
Cell parameters: 4.096; 5.9745; 30.157; 90; 90.852; 90;  

COD ID: 1506384
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 742.4
Cell parameters: 4.1049; 5.9933; 30.179; 90; 90.878; 90;  

COD ID: 1506385
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 742.4
Cell parameters: 4.1049; 5.9933; 30.179; 90; 90.878; 90;  

COD ID: 1506386
CIF file Formula: - C7 H5 I O2 -
Comments: Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C. On the solid state structure of 4-iodobenzoic acid. The journal of physical chemistry. A 109(11) (2005) 2586-2593
Space group: P 1 21/n 1
Cell volume: 742.4
Cell parameters: 4.1049; 5.9933; 30.179; 90; 90.878; 90;  

COD ID: 1506397
CIF file Formula: - C12 H10 Cl N3 O4 -
Comments: Naumov, Pance; Sakurai, Kenji; Ishikawa, Tadahiko; Takahashi, Junichi; Koshihara, Shin-ya; Ohashi, Yuji Intramolecular nitro-assisted proton transfer in photoirradiated 2-(2',4'-dinitrobenzyl)pyridine: polarized optical spectroscopic study and electronic structure calculations. The journal of physical chemistry. A 109(32) (2005) 7264-7275
Space group: P 1 21/c 1
Cell volume: 1311.71
Cell parameters: 9.9583; 5.7946; 23.2137; 90; 101.697; 90;  

COD ID: 1506398
CIF file Formula: - C9 H13 Cl4 Nb O -
Comments: Lo, Andy Y. H.; Bitterwolf, Thomas E.; Macdonald, Charles L. B.; Schurko, Robert W. Solid-state 93Nb and 13C NMR investigations of half-sandwich niobium(I) and niobium(V) cyclopentadienyl complexes. The journal of physical chemistry. A 109(32) (2005) 7073-7087
Space group: P -1
Cell volume: 612.86
Cell parameters: 7.0665; 7.1523; 13.3112; 76.813; 86.607; 69.37;  

COD ID: 1506399
CIF file Formula: - C7 H5 B F3 N -
Comments: Phillips, J. A.; Giesen, D. J.; Wells, N. P.; Halfen, J. A.; Knutson, C. C.; Wrass, J. P. Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)3CCN-BF3: IR spectra, crystallography, and computations. The journal of physical chemistry. A 109(36) (2005) 8199-8208
Space group: P n m a
Cell volume: 733.4
Cell parameters: 17.404; 8.678; 4.856; 90; 90; 90;  

COD ID: 1506405
CIF file Formula: - C49 H39 B Cu F4 N3 P2 -
Comments: Waterland, Mark R.; Howell, Sarah L.; Gordon, Keith C.; Burrell, Anthony K. Structural changes upon photoexcitation into the metal-to-ligand charge-transfer state of [Cu(pqx)(PPh3)2]+ probed by resonance Raman spectroscopy and density functional theory. The journal of physical chemistry. A 109(39) (2005) 8826-8833
Space group: P -1
Cell volume: 2115.9
Cell parameters: 10.764; 12.387; 16.56; 87.73; 76.22; 80.64;  

COD ID: 1506409
CIF file Formula: - C10 H10 N4 -
Comments: Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji Photochromism of 2-(phenylazo)imidazoles. The journal of physical chemistry. A 109(35) (2005) 8064-8069
Space group: P 1 21/c 1
Cell volume: 905.7
Cell parameters: 6.67; 11.506; 12.975; 90; 114.56; 90;  

COD ID: 1506412
CIF file Formula: - C37 H32 -
Comments: Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. The journal of physical chemistry. A 109(51) (2005) 11650-11654
Space group: P -1
Cell volume: 2747.8
Cell parameters: 11.272; 14.504; 17.102; 84.537; 86.253; 81.33;  

COD ID: 1506413
CIF file Formula: - C37 H32 -
Comments: Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene. The journal of physical chemistry. A 109(51) (2005) 11650-11654
Space group: P 1 21 1
Cell volume: 2819.8
Cell parameters: 12.221; 17.921; 13.524; 90; 107.82; 90;  

COD ID: 1506414
CIF file Formula: - C12 H7 Br N2 O2 -
Comments: Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen. The journal of physical chemistry. A 109(42) (2005) 9443-9455
Space group: P 21 21 21
Cell volume: 1040.6
Cell parameters: 7.483; 7.636; 18.212; 90; 90; 90;  

COD ID: 1506415
CIF file Formula: - C36 H51 N7 -
Comments: Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad. The journal of physical chemistry. A 109(51) (2005) 11715-11723
Space group: P 1 21/a 1
Cell volume: 3289.8
Cell parameters: 9.2709; 32.431; 11.698; 90; 110.714; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!