Crystallography Open Database
Search results
Result: there are 398 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'The journal of physical chemistry. B'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
---|---|---|---|---|---|---|
1501671 | CIF | C14 H22 N6 O8 S6 | P -1 | 5.1965; 10.0137; 23.4643 94.749; 92.033; 101.423 | 1191.02 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
1501672 | CIF | C22 H32 N4 O15 S6 | P 1 21/n 1 | 8.261; 43.783; 9.625 90; 101.617; 90 | 3410 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
1501673 | CIF | C16 H30 N4 O8 S8 | P c a 21 | 11.432; 24.09; 10.121 90; 90; 90 | 2787 | Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B, 2011, 115, 3020-3026 |
1501676 | CIF | C56.75 H87 N2 O8.75 P2 S2 | P -1 | 16.4633; 18.7981; 21.8791 94.8166; 93.3602; 115.825 | 6039.05 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
1501677 | CIF | C57 H86 Cl2 N2 O8 P2 S2 | P 1 21/n 1 | 12.773; 19.556; 23.982 90; 101.691; 90 | 5866.2 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
1501678 | CIF | C58 H87 Ag Cl2 N3 Na O16 P2 S2 | P -1 | 11.91; 16.698; 18.973 98.27; 104.48; 109.57 | 3333.5 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
1501679 | CIF | C64 H104 O24 P8 S8 | P -1 | 12.6039; 17.4686; 21.7674 71.24; 80.801; 71.7 | 4299.21 | de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B, 2011, 115, 6922-6934 |
1501682 | CIF | C17 H16 N2 O3 V | P 21 21 21 | 11.905; 17.238; 7.529 90; 90; 90 | 1545.1 | Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands. The journal of physical chemistry. B, 2011, 115, 8465-8473 |
1501683 | CIF | C14 H10 O2 | P 21 21 21 | 8.1037; 10.127; 12.519 90; 90; 90 | 1027.4 | Zhu, Xiao-Qing; Zhou, Jian; Wang, Chun-Hua; Li, Xiu-Tao; Jing, Sha Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution. The journal of physical chemistry. B, 2011, 115, 3588-3603 |
1501685 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.2039; 5.99673; 4.5435 90; 93.8032; 90 | 223.032 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501686 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.20987; 5.99729; 4.54601 90; 93.8491; 90 | 223.327 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501687 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.21673; 5.99825; 4.54871 90; 93.8929; 90 | 223.67 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501688 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.22307; 5.99899; 4.55113 90; 93.9367; 90 | 223.978 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501689 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.22913; 5.99941; 4.55352 90; 93.9808; 90 | 224.265 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501690 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.23546; 5.99997; 4.55596 90; 94.0251; 90 | 224.566 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501691 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.24185; 6.00052; 4.55819 90; 94.071; 90 | 224.858 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501692 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.24909; 6.00107; 4.56111 90; 94.1234; 90 | 225.206 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501693 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.25578; 6.00157; 4.56351 90; 94.1741; 90 | 225.511 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501694 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.26299; 6.00194; 4.56608 90; 94.2299; 90 | 225.833 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501695 | CIF | C2 H8 Cl N | P 1 21/m 1 | 8.26972; 6.00243; 4.56867 90; 94.2836; 90 | 226.148 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501696 | CIF | C2 Cl N | P 4/n m m :2 | 5.05111; 5.05111; 9.99493 90; 90; 90 | 255.008 | Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B, 2011, 115, 4887-4899 |
1501707 | CIF | C54 H52 N2 S2 | P -1 | 5.7587; 17.681; 21.772 111.793; 91.7; 92.295 | 2054.4 | Zhang, Xiqi; Chi, Zhenguo; Zhang, Jianyong; Li, Haiyin; Xu, Bingjia; Li, Xiaofang; Liu, Siwei; Zhang, Yi; Xu, Jiarui Piezofluorochromic properties and mechanism of an aggregation-induced emission enhancement compound containing N-hexyl-phenothiazine and anthracene moieties. The journal of physical chemistry. B, 2011, 115, 7606-7611 |
1501710 | CIF | C11 H11 F6 N3 O4 S2 | P 1 21/n 1 | 11.2891; 12.2491; 12.4087 90; 97.027; 90 | 1703 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501711 | CIF | C9 H7 F6 N3 O4 S2 | P -1 | 8.1408; 8.7005; 10.582 80.863; 76.27; 81.141 | 713.551 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501712 | CIF | C11 H11 F6 N3 O4 S2 | P 1 21/c 1 | 8.255; 13.88; 14.205 90; 92.159; 90 | 1626.4 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501713 | CIF | C12 H13 F6 N3 O4 S2 | P 1 21/n 1 | 11.5159; 12.2778; 12.5068 90; 96.726; 90 | 1756.17 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501714 | CIF | C10 H9 F6 N3 O4 S2 | P 1 21/n 1 | 12.687; 8.186; 15.537 90; 106.36; 90 | 1548.3 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501715 | CIF | C11 H11 F6 N3 O4 S2 | P -1 | 8.2118; 8.6844; 12.6209 98.692; 104.289; 104.167 | 823.97 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501716 | CIF | C11 H11 F6 N3 O4 S2 | P -1 | 8.134; 12.4922; 17.291 72.707; 80.807; 80.637 | 1643.6 | Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B, 2011, 115, 8424-8438 |
1501746 | CIF | C9 H40 F N15 O12 S3 | P n a 21 | 20.353; 14.179; 10.415 90; 90; 90 | 3005.6 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
1501747 | CIF | C9 H40 F N15 O12 S3 | P 21 21 21 | 10.517; 14.329; 20.204 90; 90; 90 | 3044.7 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
1501748 | CIF | C9 H40 F N15 O12 S3 | P n m a | 20.171; 10.563; 14.348 90; 90; 90 | 3057.1 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
1501749 | CIF | C9 H40 F N15 O12 S3 | P n m a | 20.272; 10.583; 14.327 90; 90; 90 | 3073.7 | Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B, 2011, 115, 10277-10284 |
1501770 | CIF | C54 H80 N9 O12 | P 1 21/c 1 | 16.086; 21.066; 18.104 90; 100.27; 90 | 6037 | Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile. The journal of physical chemistry. B, 2011, 115, 13026-13036 |
1501772 | CIF | C32 H50 Li O4 | C 1 2/c 1 | 19.191; 9.8248; 17.327 90; 110.442; 90 | 3061.2 | de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure. The journal of physical chemistry. B, 2011, 115, 14610-14616 |
1502677 | CIF | C24 H42 N2 O2 | P 21 21 21 | 8.4016; 13.4207; 22.13 90; 90; 90 | 2495.3 | Corvis, Yohann; Négrier, Philippe; Lazerges, Mathieu; Massip, Stéphane; Léger, Jean-Michel; Espeau, Philippe Lidocaine/L-menthol binary system: cocrystallization versus solid-state immiscibility. The journal of physical chemistry. B, 2010, 114, 5420-5426 |
1502684 | CIF | C30 H21 Au Cl4 O2 | P -1 | 7.5854; 10.1921; 17.4297 100.583; 90.868; 102.642 | 1290.32 | Hwang, In-Chul; Heo, Sung Woo; Singh, N. Jiten; Lee, Jung Woo; Chun, Young; Baek, Seung Bin; Jin, Kyeong Sik; Ree, Moonhor; Lee, Hee Cheon; Kim, Seung Bin; Kim, Kwang S. Self-assembled thermally highly stable 1-dimensional proton arrays. The journal of physical chemistry. B, 2010, 114, 7216-7221 |
1502685 | CIF | C110 H76 Cl4 Cu F6 N4 P | C 1 2/c 1 | 24.538; 28.186; 18.9595 90; 129.526; 90 | 10114.5 | Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X. Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes. The journal of physical chemistry. B, 2010, 114, 14521-14527 |
1502686 | CIF | C10 H16 F12 N4 P2 | C 1 2/c 1 | 22.186; 6.4852; 14.4065 90; 122.621; 90 | 1745.8 | Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B, 2010, 114, 7312-7319 |
1502687 | CIF | C16 H28 F12 N4 P2 | P -1 | 6.5214; 6.9156; 13.8874 97.336; 97.674; 99.448 | 605.07 | Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B, 2010, 114, 7312-7319 |
1502692 | CIF | C126 H66 N8 Zn | P -1 | 13.8831; 17.7009; 18.0031 97.4088; 106.035; 103.607 | 4042.63 | Yamada, Hiroko; Ohkubo, Kei; Kuzuhara, Daiki; Takahashi, Tetsuro; Sandanayaka, Atula S. D.; Okujima, Tetsuo; Ohara, Keishi; Ito, Osamu; Uno, Hidemitsu; Ono, Noboru; Fukuzumi, Shunichi Synthesis, crystal structure, and photodynamics of π-expanded porphyrin-fullerene dyads synthesized by Diels-Alder reaction. The journal of physical chemistry. B, 2010, 114, 14717-14728 |
1502693 | CIF | C27 H33 F6 N3 O13 P Ru3 | P 1 21/n 1 | 21.33; 7.7725; 22.864 90; 100.666; 90 | 3725.1 | Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B, 2010, 114, 14729-14734 |
1502694 | CIF | C34 H35 Cl9 N2 O14 Ru3 | P 1 21/n 1 | 14.657; 18.3; 17.958 90; 95.826; 90 | 4792 | Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B, 2010, 114, 14729-14734 |
1502695 | CIF | C24 H36 O8 | P 1 21/a 1 | 8.6041; 7.8833; 18.1199 90; 101.13; 90 | 1205.93 | Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains. The journal of physical chemistry. B, 2010, 114, 8181-8190 |
1502700 | CIF | C9 H15 Li2 O6 Tl | P 21 21 21 | 4.909; 11.892; 23.014 90; 90; 90 | 1343.5 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
1502701 | CIF | C3 H5 O2 Tl | P c a 21 | 7.302; 10.636; 21.028 90; 90; 90 | 1633.1 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
1502702 | CIF | C15 Li2 O6 Tl | P 1 21/c 1 | 4.92085; 12.03031; 33.8289 90; 91.3425; 90 | 2002.1 | Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B, 2010, 114, 10075-10085 |
1502707 | CIF | C16 H100 Cl N O32 | P 42/m | 23.5711; 23.5711; 12.4361 90; 90; 90 | 6909.5 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
1502708 | CIF | C16 H100 Cl N O32 | P 42/m | 23.5818; 23.5818; 12.4148 90; 90; 90 | 6903.9 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
1502709 | CIF | C16 H96 Cl N O30 | P 42/m | 23.5211; 23.5211; 12.488 90; 90; 90 | 6908.9 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
1502710 | CIF | C16 H96 Cl N O30 | P 42/m | 23.488; 23.488; 12.529 90; 90; 90 | 6912 | Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B, 2010, 114, 11838-11846 |
1502715 | CIF | C54 H70 Cl4 Cu2 N12 O23 | C 1 2 1 | 35.166; 8.308; 22.479 90; 101.477; 90 | 6436 | Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B, 2010, 114, 11942-11948 |
1502716 | CIF | C32 H38 Cl4 Cu2 N6 O12 | P 1 21/c 1 | 8.0644; 19.3905; 12.439 90; 99.56; 90 | 1918.11 | Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B, 2010, 114, 11942-11948 |
1502717 | CIF | C33 H42 Cl4 Cu2 N6 O13 | P 1 21/c 1 | 7.9762; 19.5479; 26.4798 90; 93.901; 90 | 4119.1 | Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B, 2010, 114, 11942-11948 |
1502718 | CIF | C98.7 H140 O96.95 | P 1 | 15.419; 15.464; 15.612 102.72; 102.012; 104.309 | 3380.1 | Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes. The journal of physical chemistry. B, 2010, 114, 11489-11495 |
1502731 | CIF | C14 H18 N4 O10 S | P 1 21/c 1 | 9.2829; 6.2367; 31.336 90; 95.449; 90 | 1806 | Stevens, Joanna S.; Byard, Stephen J.; Muryn, Christopher A.; Schroeder, Sven L. M. Identification of protonation state by XPS, solid-state NMR, and DFT: characterization of the nature of a new theophylline complex by experimental and computational methods. The journal of physical chemistry. B, 2010, 114, 13961-13969 |
1502747 | CIF | C15 H15 N3 O4 | P -1 | 7.0295; 8.7268; 12.5523 73.754; 81.99; 78.751 | 722.127 | Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B, 2010, 114, 321-329 |
1502748 | CIF | C18 H17 N3 O2 | P 1 21/c 1 | 12.7765; 18.7383; 6.5565 90; 99.574; 90 | 1547.83 | Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B, 2010, 114, 321-329 |
1502749 | CIF | C24 H22 N2 O3 | P 1 21/c 1 | 13.345; 14.802; 10.621 90; 101.17; 90 | 2058.3 | Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B, 2010, 114, 321-329 |
1502750 | CIF | C18 H14 F6 N2 O7 S6 | C 1 2/c 1 | 21.027; 5.4802; 23.594 90; 111.274; 90 | 2533.5 | Zhu, Qin-Yu; Huo, Li-Bin; Qin, Yu-Rong; Zhang, Ya-Ping; Lu, Zhe-Jun; Wang, Jin-Po; Dai, Jie Triadic intramolecular charge transfer compound of tetrathiafulvalene exhibiting multicolor solvatochromism. The journal of physical chemistry. B, 2010, 114, 361-367 |
1502754 | CIF | C8 H2 I2 S3 | P 1 21/n 1 | 13.223; 4.161; 19.785 90; 96.339; 90 | 1081.9 | Sánchez-Carrera, Roel S; Odom, Susan A.; Kinnibrugh, Tiffany L.; Sajoto, Tissa; Kim, Eung-Gun; Timofeeva, Tatiana V.; Barlow, Stephen; Coropceanu, Veaceslav; Marder, Seth R.; Brédas, Jean-Luc Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study. The journal of physical chemistry. B, 2010, 114, 749-755 |
1502755 | CIF | C22 H14 N4 O2 | P -1 | 8.7992; 8.8626; 13.2711 101.683; 91.357; 111.848 | 935.09 | Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B, 2010, 114, 756-768 |
1502756 | CIF | C22 H14 N4 O2 | P 21 21 21 | 5.404; 16.068; 20.4562 90; 90; 90 | 1776.24 | Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B, 2010, 114, 756-768 |
1502759 | CIF | C15 H16 O2 S | P 1 21/n 1 | 16.5638; 7.514; 20.8421 90; 99.4965; 90 | 2558.47 | Usman, Anwar; Asahi, Tsuyoshi; Sugiyama, Teruki; Masuhara, Hiroshi; Tohnai, Norimitsu; Miyata, Mikiji Photochemical reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state. The journal of physical chemistry. B, 2010, 114, 14233-14240 |
1502763 | CIF | C22 H23 Cl2 N3 O3 | P -1 | 8.239; 11.075; 13.52 103.205; 106.017; 105.297 | 1081.7 | Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B, 2010, 114, 4166-4170 |
1502764 | CIF | C22 H23 Br2 N3 O3 | P -1 | 8.2416; 11.2464; 13.9496 104.279; 106.169; 105.466 | 1122.6 | Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B, 2010, 114, 4166-4170 |
1502765 | CIF | C40 H28 O2 | C 1 2/c 1 | 16.698; 10.5516; 16.706 90; 98.437; 90 | 2911.6 | Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B, 2010, 114, 5983-5988 |
1502766 | CIF | C54 H36 O4 | P -1 | 10.9819; 12.2293; 15.9624 78.216; 85.799; 72.961 | 2006.26 | Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B, 2010, 114, 5983-5988 |
1502768 | CIF | C26 H36 Cl2 Mg N8 O18 | P -1 | 7.146; 11.1812; 11.602 88.373; 81.837; 74.342 | 883.52 | Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B, 2010, 114, 4998-5009 |
1502769 | CIF | C18 H34 Mg N4 O14 | P -1 | 7.534; 9.052; 10.428 93.37; 93.118; 112.237 | 654.9 | Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B, 2010, 114, 4998-5009 |
1504348 | CIF | C2 H4 Cl2 | P n m a | 7.7446; 9.3368; 5.8584 90; 90; 90 | 423.62 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
1504349 | CIF | C2 H4 Cl2 | P n m a | 7.8716; 9.404; 5.8862 90; 90; 90 | 435.72 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
1504350 | CIF | C2 H4 Cl2 | P n m a | 7.5572; 9.1829; 5.713 90; 90; 90 | 396.5 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
1504351 | CIF | C2 H4 Cl2 | P n m a | 7.3833; 9.0641; 5.6461 90; 90; 90 | 377.85 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
1504355 | CIF | C8 H11 F6 Li N2 O6 S2 | P 1 21/c 1 | 10.105; 18.676; 8.512 90; 94.012; 90 | 1602.5 | Burba, Christopher M.; Rocher, Nathalie M.; Frech, Roger; Powell, Douglas R. Cation-anion interactions in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate-based ionic liquid electrolytes. The journal of physical chemistry. B, 2008, 112, 2991-2995 |
1504357 | CIF | C5 H10 | P 1 21/c 1 | 9.578; 5.328; 10.018 90; 113.12; 90 | 470.2 | Torrisi, Antonio; Leech, Charlotte K.; Shankland, Kenneth; David, William I. F.; Ibberson, Richard M.; Benet-Buchholz, Jordi; Boese, Roland; Leslie, Maurice; Catlow, C Richard A; Price, Sarah L. Solid phases of cyclopentane: combined experimental and simulation study. The journal of physical chemistry. B, 2008, 112, 3746-3758 |
1504378 | CIF | C H2 Cl I | P n m a | 6.315; 6.5616; 8.6926 90; 90; 90 | 360.19 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
1504379 | CIF | C H2 Cl I | P n m a | 6.3026; 6.5131; 8.6599 90; 90; 90 | 355.48 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
1504380 | CIF | C H2 Cl I | P n m a | 6.2105; 6.3402; 8.5189 90; 90; 90 | 335.44 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
1504381 | CIF | C H2 I2 | F m m 2 | 7.1819; 12.912; 4.693 90; 90; 90 | 435.19 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
1504382 | CIF | C H2 I2 | F m m 2 | 6.9208; 12.695; 4.5338 90; 90; 90 | 398.34 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
1504383 | CIF | C2 H3 N | P 1 21/c 1 | 3.9838; 8.1352; 7.8165 90; 99.33; 90 | 249.97 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
1504384 | CIF | C2 H3 N | C m c 21 | 6.0717; 5.2319; 7.7779 90; 90; 90 | 247.08 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
1504385 | CIF | C2 H3 N | C m c 21 | 5.833; 5.082; 7.563 90; 90; 90 | 224.2 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
1504386 | CIF | C6 H9 N3 | P 1 21/n 1 | 7.489; 7.882; 11.793 90; 99.48; 90 | 686.6 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
1504389 | CIF | C12 H22 O11 | P 21 21 21 | 6.7999; 11.638; 18.583 90; 90; 90 | 1470.6 | Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M. Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism. The journal of physical chemistry. B, 2008, 112, 9105-9111 |
1504390 | CIF | C12 H26 O13 | P 21 21 21 | 7.5969; 12.2305; 17.887 90; 90; 90 | 1662 | Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M. Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism. The journal of physical chemistry. B, 2008, 112, 9105-9111 |
1504394 | CIF | C H Cl3 | P n m a | 7.4081; 9.4034; 5.754 90; 90; 90 | 400.8 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
1504395 | CIF | C H Cl3 | P 63 | 5.8868; 5.8868; 6.6541 90; 90; 120 | 199.7 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
1504396 | CIF | C H Br3 | P 63 | 6.3229; 6.3229; 7.285 90; 90; 120 | 252.2 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
1504397 | CIF | C H Br3 | P 63 | 6.3119; 6.3119; 7.151 90; 90; 120 | 246.7 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
1504398 | CIF | C32 H27 Cl3 Mn3 N3 O12 S | P -1 | 11.5076; 13.8717; 14.1965 117.336; 90.196; 109.517 | 1863.9 | Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K. Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface. The journal of physical chemistry. B, 2008, 112, 9729-9735 |
1504399 | CIF | C85 H109 Mn6 N7 O26 S2 | P -1 | 12.8647; 13.1373; 16.1689 92.116; 101.617; 114.076 | 2422.07 | Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K. Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface. The journal of physical chemistry. B, 2008, 112, 9729-9735 |
1505061 | CIF | C9 H18 N2 O5 S | P 1 21/n 1 | 7.1338; 14.2416; 12.8338 90; 104.758; 90 | 1260.86 | Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities. The journal of physical chemistry. B, 2007, 111, 5254-5263 |
1505062 | CIF | C12 H18 N2 O4 S | P b c a | 25.654; 10.4439; 10.2801 90; 90; 90 | 2754.3 | Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities. The journal of physical chemistry. B, 2007, 111, 5254-5263 |
1505064 | CIF | C42 H54 Cl6 N2 O2 | P 1 21/c 1 | 5.6794; 18.1714; 21.4441 90; 96.877; 90 | 2197.17 | Wang, Jia; Zhao, Yunfeng; Dou, Chuandong; Sun, Hui; Xu, Peng; Ye, Kaiqi; Zhang, Jingying; Jiang, Shimei; Li, Fei; Wang, Yue Alkyl and dendron substituted quinacridones: synthesis, structures, and luminescent properties. The journal of physical chemistry. B, 2007, 111, 5082-5089 |
1505066 | CIF | C25 H14 Cl4 N2 O10 | P -1 | 10.241; 10.262; 12.302 96.838; 94.763; 98.469 | 1263 | Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B, 2007, 111, 6655-6666 |
1505067 | CIF | C22 H21 Cl N O7 | P -1 | 10.188; 10.745; 10.888 72.261; 66.57; 83.284 | 1041.6 | Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B, 2007, 111, 6655-6666 |
1505068 | CIF | C21 H16 Cl4 N2 O6 | P -1 | 10.422; 10.711; 10.787 87.701; 74.392; 89.976 | 1158.7 | Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B, 2007, 111, 6655-6666 |
1505069 | CIF | C8 H6 O4 | P 1 21/n 1 | 6.5845; 5.2356; 9.99 90; 95.582; 90 | 342.76 | Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B, 2007, 111, 6655-6666 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!