Crystallography Open Database
Search results
Result : There are 29 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 112
| COD ID: 1504353 | |
| CIF file | Formula: - C32 H16 F18 N3 O6 Sm - Comments: Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination. The journal of physical chemistry. A 112(5) (2008) 803-807 Space group: P -1 Cell volume: 3739.08 Cell parameters: 11.5889; 17.5357; 18.8203; 79.3974; 84.1179; 88.0187; |
| COD ID: 1504354 | |
| CIF file | Formula: - C41 H22 F18 N5 O6 Sm - Comments: Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination. The journal of physical chemistry. A 112(5) (2008) 803-807 Space group: P 1 21/n 1 Cell volume: 4731.9 Cell parameters: 11.69; 19.656; 20.63; 90; 93.412; 90; |
| COD ID: 1504356 | |
| CIF file | Formula: - C15 H22 N2 - Comments: Druzhinin, Sergey I.; Dubbaka, Srinivas Reddy; Knochel, Paul; Kovalenko, Sergey A.; Mayer, Peter; Senyushkina, Tamara; Zachariasse, Klaas A. Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile. The journal of physical chemistry. A 112(13) (2008) 2749-2761 Space group: P 1 21 1 Cell volume: 1402.26 Cell parameters: 7.815; 22.2685; 8.2607; 90; 102.73; 90; |
| COD ID: 1504358 | |
| CIF file | Formula: - C8 H18 F6 O6 P2 S2 - Comments: Wolstenholme, David J.; Weigand, Jan J.; Davidson, Reagan J.; Pearson, Jason K.; Cameron, T. Stanley Understanding the electronic structure, reactivity, and hydrogen bonding for a 1,2-diphosphonium dication. The journal of physical chemistry. A 112(15) (2008) 3424-3431 Space group: R -3 m :H Cell volume: 1298.62 Cell parameters: 9.1795; 9.1795; 17.7956; 90; 90; 120; |
| COD ID: 1504359 | |
| CIF file | Formula: - C28 H24 Cl2 N2 Pt - Comments: Shao, Pin; Li, Yunjing; Sun, Wenfang Cyclometalated platinum(II) complex with strong and broadband nonlinear optical response. The journal of physical chemistry. A 112(6) (2008) 1172-1179 Space group: P 1 21/c 1 Cell volume: 2514.26 Cell parameters: 16.2361; 9.511; 17.9203; 90; 114.692; 90; |
| COD ID: 1504360 | |
| CIF file | Formula: - C11 H10 Fe O - Comments: Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. The journal of physical chemistry. A 112(13) (2008) 2977-2987 Space group: P 21 21 21 Cell volume: 907.9 Cell parameters: 7.639; 10.518; 11.3; 90; 90; 90; |
| COD ID: 1504361 | |
| CIF file | Formula: - C12 H14 Fe - Comments: Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. The journal of physical chemistry. A 112(13) (2008) 2977-2987 Space group: P 1 21/a 1 Cell volume: 991.5 Cell parameters: 10.954; 7.526; 12.334; 90; 102.81; 90; |
| COD ID: 1504362 | |
| CIF file | Formula: - C38 H46 Cu N20 O6 - Comments: Yamamura, Yasuhisa; Shimoi, Hiroyasu; Sumita, Masato; Yasuzuka, Syuma; Adachi, Keiichi; Fuyuhiro, Akira; Kawata, Satoshi; Saito, Kazuya Calorimetric study of correlated disordering in [Hdamel]2[Cu(II)(tdpd)2] x 2 THF crystal. The journal of physical chemistry. A 112(19) (2008) 4465-4469 Space group: P -1 Cell volume: 1120.6 Cell parameters: 8.096; 9.908; 15.278; 96.055; 92.863; 112.48; |
| COD ID: 1504369 | |
| CIF file | Formula: - C29 H21 N3 S3 - Comments: Nakagawa, Tetsuya; Hasegawa, Yasuchika; Kawai, Tsuyoshi Photoresponsive europium(III) complex based on photochromic reaction. The journal of physical chemistry. A 112(23) (2008) 5096-5103 Space group: P 1 21/c 1 Cell volume: 2452.6 Cell parameters: 13.4193; 10.3767; 17.7646; 90; 97.4801; 90; |
| COD ID: 1504370 | |
| CIF file | Formula: - C5 H7 O2 - Comments: Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A 112(29) (2008) 6667-6677 Space group: P b c n Cell volume: 958.1 Cell parameters: 9.064; 9.227; 11.456; 90; 90; 90; |
| COD ID: 1504371 | |
| CIF file | Formula: - C5 H7 O2 - Comments: Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A 112(29) (2008) 6667-6677 Space group: P b c n Cell volume: 953 Cell parameters: 9.062; 9.216; 11.411; 90; 90; 90; |
| COD ID: 1504372 | |
| CIF file | Formula: - C5 H7 O2 - Comments: Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A 112(29) (2008) 6667-6677 Space group: P b c n Cell volume: 962.4 Cell parameters: 9.079; 9.247; 11.464; 90; 90; 90; |
| COD ID: 1504373 | |
| CIF file | Formula: - C5 H7 O2 - Comments: Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A 112(29) (2008) 6667-6677 Space group: P b c n Cell volume: 964.9 Cell parameters: 9.099; 9.225; 11.495; 90; 90; 90; |
| COD ID: 1504374 | |
| CIF file | Formula: - C5 H7 O2 - Comments: Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A 112(29) (2008) 6667-6677 Space group: P b c n Cell volume: 1008.6 Cell parameters: 9.12; 9.359; 11.817; 90; 90; 90; |
| COD ID: 1504375 | |
| CIF file | Formula: - C10 H14 O4 - Comments: Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A 112(29) (2008) 6667-6677 Space group: P b c n Cell volume: 962.7 Cell parameters: 9.0859; 9.2413; 11.465; 90; 90; 90; |
| COD ID: 1504377 | |
| CIF file | Formula: - C4 H8 N2 S2 - Comments: Bushmarinov, Ivan S.; Antipin, Mikhail Yu; Akhmetova, Vnira R.; Nadyrgulova, Guzel R.; Lyssenko, Konstantin A. Stereoelectronic effects in N-C-S and N-N-C systems: experimental and ab initio AIM study. The journal of physical chemistry. A 112(22) (2008) 5017-5023 Space group: C 1 2/c 1 Cell volume: 612.36 Cell parameters: 12.1589; 4.788; 10.7556; 90; 102.048; 90; |
| COD ID: 1504388 | |
| CIF file | Formula: - C20 H11 Au0.57 N6 Ni0.43 O2 S4 - Comments: Ren, Xiaoming; Sui, Yunxia; Liu, Guangxiang; Xie, Jingli Observation of intermolecular charge transfer in a quasi-one-dimensional molecular alloy system. The journal of physical chemistry. A 112(35) (2008) 8009-8014 Space group: P 1 21/c 1 Cell volume: 2292.6 Cell parameters: 12.191; 26.626; 7.2551; 90; 103.22; 90; |
| COD ID: 1504401 | |
| CIF file | Formula: - C65 H59.5 B2 F7 Ni O P3 - Comments: Saraev, V. V.; Kraikivskii, P. B.; Svoboda, I.; Kuzakov, A. S.; Jordan, R. F. Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4]. The journal of physical chemistry. A 112(48) (2008) 12449-12455 Space group: P -1 Cell volume: 2857.9 Cell parameters: 13.318; 13.946; 17.017; 76.88; 68.233; 83.948; |
| COD ID: 1504405 | |
| CIF file | Formula: - C12 H8 N2 - Comments: Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A. Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption. The journal of physical chemistry. A 112(36) (2008) 8238-8253 Space group: P 1 21/n 1 Cell volume: 884.9 Cell parameters: 7.472; 8.749; 13.864; 90; 102.48; 90; |
| COD ID: 1504406 | |
| CIF file | Formula: - C11 H8 N2 - Comments: Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A. Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption. The journal of physical chemistry. A 112(36) (2008) 8238-8253 Space group: F d d 2 Cell volume: 1733.5 Cell parameters: 12.839; 11.055; 12.213; 90; 90; 90; |
| COD ID: 1504407 | |
| CIF file | Formula: - C6 H16 Cu2 N4 O6 - Comments: Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A 112(38) (2008) 9050-9067 Space group: P b c a Cell volume: 1216.07 Cell parameters: 8.3395; 8.5023; 17.1507; 90; 90; 90; |
| COD ID: 1504408 | |
| CIF file | Formula: - C6 H16 Cu2 N4 O6 - Comments: Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A 112(38) (2008) 9050-9067 Space group: P b c a Cell volume: 1219.13 Cell parameters: 8.3459; 8.5084; 17.1684; 90; 90; 90; |
| COD ID: 1504409 | |
| CIF file | Formula: - C6 H16 Cu2 N4 O8 - Comments: Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A 112(38) (2008) 9050-9067 Space group: P 1 21/c 1 Cell volume: 634.35 Cell parameters: 8.8024; 8.0562; 9.2531; 90; 104.818; 90; |
| COD ID: 1504410 | |
| CIF file | Formula: - C8 H18 Cu2 N2 O6 - Comments: Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A 112(38) (2008) 9050-9067 Space group: P 1 21/c 1 Cell volume: 611.8 Cell parameters: 8.4758; 8.7735; 8.3445; 90; 99.616; 90; |
| COD ID: 1504411 | |
| CIF file | Formula: - C18 H15 Au Cl P - Comments: Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A. Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function. The journal of physical chemistry. A 112(46) (2008) 11519-11522 Space group: P 21 21 21 Cell volume: 1608.84 Cell parameters: 10.1077; 12.2492; 12.9943; 90; 90; 90; |
| COD ID: 1504412 | |
| CIF file | Formula: - C18 H16 N2 S4 - Comments: Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A 112(51) (2008) 13672-13678 Space group: P -1 Cell volume: 1754.7 Cell parameters: 9.894; 13.952; 14.722; 106.546; 106.556; 103.482; |
| COD ID: 1504413 | |
| CIF file | Formula: - C19 H17 F3 N2 O3 S5 - Comments: Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A 112(51) (2008) 13672-13678 Space group: P -1 Cell volume: 1149.1 Cell parameters: 9.127; 11.4047; 11.902; 71.207; 82.276; 79.411; |
| COD ID: 1504414 | |
| CIF file | Formula: - C17 H13 F3 N2 O3 S5 - Comments: Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A 112(51) (2008) 13672-13678 Space group: C 1 2/c 1 Cell volume: 4062.3 Cell parameters: 21.068; 14.014; 14.368; 90; 106.74; 90; |
| COD ID: 1504415 | |
| CIF file | Formula: - C33 H30 Cl2 N4 O9 S8 - Comments: Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A 112(51) (2008) 13672-13678 Space group: P -1 Cell volume: 1984.2 Cell parameters: 12.3485; 13.1326; 15.2098; 69.981; 67.801; 62.584; |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!