Crystallography Open Database

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1501671 CIFC14 H22 N6 O8 S6P -15.1965; 10.0137; 23.4643
94.749; 92.033; 101.423		1191.02Shi, 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 CIFC22 H32 N4 O15 S6P 1 21/n 18.261; 43.783; 9.625
90; 101.617; 90		3410Shi, 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 CIFC16 H30 N4 O8 S8P c a 2111.432; 24.09; 10.121
90; 90; 90		2787Shi, 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 CIFC56.75 H87 N2 O8.75 P2 S2P -116.4633; 18.7981; 21.8791
94.8166; 93.3602; 115.825		6039.05de 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 CIFC57 H86 Cl2 N2 O8 P2 S2P 1 21/n 112.773; 19.556; 23.982
90; 101.691; 90		5866.2de 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 CIFC58 H87 Ag Cl2 N3 Na O16 P2 S2P -111.91; 16.698; 18.973
98.27; 104.48; 109.57		3333.5de 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 CIFC64 H104 O24 P8 S8P -112.6039; 17.4686; 21.7674
71.24; 80.801; 71.7		4299.21de 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 CIFC17 H16 N2 O3 VP 21 21 2111.905; 17.238; 7.529
90; 90; 90		1545.1Matsuoka, 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 CIFC14 H10 O2P 21 21 218.1037; 10.127; 12.519
90; 90; 90		1027.4Zhu, 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 CIFC2 H8 Cl NP 1 21/m 18.2039; 5.99673; 4.5435
90; 93.8032; 90		223.032Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.20987; 5.99729; 4.54601
90; 93.8491; 90		223.327Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.21673; 5.99825; 4.54871
90; 93.8929; 90		223.67Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.22307; 5.99899; 4.55113
90; 93.9367; 90		223.978Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.22913; 5.99941; 4.55352
90; 93.9808; 90		224.265Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.23546; 5.99997; 4.55596
90; 94.0251; 90		224.566Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.24185; 6.00052; 4.55819
90; 94.071; 90		224.858Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.24909; 6.00107; 4.56111
90; 94.1234; 90		225.206Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.25578; 6.00157; 4.56351
90; 94.1741; 90		225.511Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.26299; 6.00194; 4.56608
90; 94.2299; 90		225.833Migliorati, 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 CIFC2 H8 Cl NP 1 21/m 18.26972; 6.00243; 4.56867
90; 94.2836; 90		226.148Migliorati, 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 CIFC2 Cl NP 4/n m m :25.05111; 5.05111; 9.99493
90; 90; 90		255.008Migliorati, 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 CIFC54 H52 N2 S2P -15.7587; 17.681; 21.772
111.793; 91.7; 92.295		2054.4Zhang, 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 CIFC11 H11 F6 N3 O4 S2P 1 21/n 111.2891; 12.2491; 12.4087
90; 97.027; 90		1703Lethesh, 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 CIFC9 H7 F6 N3 O4 S2P -18.1408; 8.7005; 10.582
80.863; 76.27; 81.141		713.551Lethesh, 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 CIFC11 H11 F6 N3 O4 S2P 1 21/c 18.255; 13.88; 14.205
90; 92.159; 90		1626.4Lethesh, 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 CIFC12 H13 F6 N3 O4 S2P 1 21/n 111.5159; 12.2778; 12.5068
90; 96.726; 90		1756.17Lethesh, 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 CIFC10 H9 F6 N3 O4 S2P 1 21/n 112.687; 8.186; 15.537
90; 106.36; 90		1548.3Lethesh, 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 CIFC11 H11 F6 N3 O4 S2P -18.2118; 8.6844; 12.6209
98.692; 104.289; 104.167		823.97Lethesh, 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 CIFC11 H11 F6 N3 O4 S2P -18.134; 12.4922; 17.291
72.707; 80.807; 80.637		1643.6Lethesh, 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 CIFC9 H40 F N15 O12 S3P n a 2120.353; 14.179; 10.415
90; 90; 90		3005.6Szafrański, 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 CIFC9 H40 F N15 O12 S3P 21 21 2110.517; 14.329; 20.204
90; 90; 90		3044.7Szafrański, 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 CIFC9 H40 F N15 O12 S3P n m a20.171; 10.563; 14.348
90; 90; 90		3057.1Szafrański, 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 CIFC9 H40 F N15 O12 S3P n m a20.272; 10.583; 14.327
90; 90; 90		3073.7Szafrański, 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 CIFC54 H80 N9 O12P 1 21/c 116.086; 21.066; 18.104
90; 100.27; 90		6037Carlotto, 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 CIFC32 H50 Li O4C 1 2/c 119.191; 9.8248; 17.327
90; 110.442; 90		3061.2de 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 CIFC24 H42 N2 O2P 21 21 218.4016; 13.4207; 22.13
90; 90; 90		2495.3Corvis, 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 CIFC30 H21 Au Cl4 O2P -17.5854; 10.1921; 17.4297
100.583; 90.868; 102.642		1290.32Hwang, 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 CIFC110 H76 Cl4 Cu F6 N4 PC 1 2/c 124.538; 28.186; 18.9595
90; 129.526; 90		10114.5Lockard, 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 CIFC10 H16 F12 N4 P2C 1 2/c 122.186; 6.4852; 14.4065
90; 122.621; 90		1745.8Lee, 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 CIFC16 H28 F12 N4 P2P -16.5214; 6.9156; 13.8874
97.336; 97.674; 99.448		605.07Lee, 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 CIFC126 H66 N8 ZnP -113.8831; 17.7009; 18.0031
97.4088; 106.035; 103.607		4042.63Yamada, 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 CIFC27 H33 F6 N3 O13 P Ru3P 1 21/n 121.33; 7.7725; 22.864
90; 100.666; 90		3725.1Goeltz, 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 CIFC34 H35 Cl9 N2 O14 Ru3P 1 21/n 114.657; 18.3; 17.958
90; 95.826; 90		4792Goeltz, 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 CIFC24 H36 O8P 1 21/a 18.6041; 7.8833; 18.1199
90; 101.13; 90		1205.93Balomenou, 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 CIFC9 H15 Li2 O6 TlP 21 21 214.909; 11.892; 23.014
90; 90; 90		1343.5Martínez 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 CIFC3 H5 O2 TlP c a 217.302; 10.636; 21.028
90; 90; 90		1633.1Martínez 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 CIFC15 Li2 O6 TlP 1 21/c 14.92085; 12.03031; 33.8289
90; 91.3425; 90		2002.1Martínez 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 CIFC16 H100 Cl N O32P 42/m23.5711; 23.5711; 12.4361
90; 90; 90		6909.5Rodionova, 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 CIFC16 H100 Cl N O32P 42/m23.5818; 23.5818; 12.4148
90; 90; 90		6903.9Rodionova, 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 CIFC16 H96 Cl N O30P 42/m23.5211; 23.5211; 12.488
90; 90; 90		6908.9Rodionova, 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

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