Crystallography Open Database

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Searching journal of publication like 'The journal of physical chemistry. B' volume of publication is 118

COD ID: 1513376
CIF file Formula: - C19 H21 Br N2 O3 -
Comments: Nardele, Chinmay G.; Asha, S. K. Photoresponsive smectic liquid crystalline multipods and hyperbranched azo polymers. The journal of physical chemistry. B 118(6) (2014) 1670-1684
Space group: P -1
Cell volume: 1838.57
Cell parameters: 6.5873; 15.1475; 18.706; 80.57; 87.305; 88.026;  

COD ID: 1513803
CIF file Formula: - C64 H68 N4 O37.63 S4 -
Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441
Space group: P 1 21 1
Cell volume: 7417
Cell parameters: 14.115; 18.546; 28.97; 90; 102.032; 90;  

COD ID: 1513804
CIF file Formula: - C68 H84.5 N4 O30.25 S4 -
Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441
Space group: P -1
Cell volume: 3599.7
Cell parameters: 8.3143; 14.653; 30.316; 77.39; 89.28; 87.12;  

COD ID: 1513805
CIF file Formula: - C64 H90 N4 O34 S4 -
Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441
Space group: P n a 21
Cell volume: 7448
Cell parameters: 31.15; 16.287; 14.681; 90; 90; 90;  

COD ID: 1514127
CIF file Formula: - C14 H15 N3 O3 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P -1
Cell volume: 1422
Cell parameters: 10.16; 10.3036; 14.0553; 99.674; 96.774; 97.811;  

COD ID: 1514128
CIF file Formula: - C13 H15 N3 O5 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P -1
Cell volume: 1415.5
Cell parameters: 10.2543; 10.4086; 13.709; 98.774; 96.171; 98.962;  

COD ID: 1514129
CIF file Formula: - C13 H14 Cl2 N2 O3 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/n 1
Cell volume: 1471.74
Cell parameters: 8.698; 11.9681; 14.259; 90; 97.47; 90;  

COD ID: 1514130
CIF file Formula: - C14 H16 N2 O4 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/n 1
Cell volume: 1356.64
Cell parameters: 6.86417; 11.9645; 16.6842; 90; 98.071; 90;  

COD ID: 1514131
CIF file Formula: - C16 H20 N2 O5 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/n 1
Cell volume: 1641.58
Cell parameters: 10.6052; 10.5502; 14.681; 90; 92.028; 90;  

COD ID: 1514132
CIF file Formula: - C16 H20 N2 O5 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/c 1
Cell volume: 3205.6
Cell parameters: 17.639; 10.4165; 18.374; 90; 108.281; 90;  

COD ID: 1516519
CIF file Formula: - C16 H16 N2 O5 -
Comments: Manin, Alex N.; Voronin, Alexander P.; Manin, Nikolay G.; Vener, Mikhail V.; Shishkina, Anastasia V.; Lermontov, Anatoly S.; Perlovich, German L. Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations. The journal of physical chemistry. B 118(24) (2014) 6803-6814
Space group: P 1 c 1
Cell volume: 1536.2
Cell parameters: 10.838; 11.225; 13.268; 90; 107.879; 90;  

COD ID: 1516800
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 303.48
Cell parameters: 5.1951; 5.5041; 11.4271; 102.665; 90.998; 107.131;  

COD ID: 1516801
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 302.7
Cell parameters: 5.1915; 5.5032; 11.411; 102.745; 91.059; 107.105;  

COD ID: 1516802
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 302.1
Cell parameters: 5.1897; 5.5033; 11.3966; 102.817; 91.102; 107.1;  

COD ID: 1516803
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 301.13
Cell parameters: 5.185; 5.5008; 11.3777; 102.875; 91.152; 107.075;  

COD ID: 1516804
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 300.71
Cell parameters: 5.1838; 5.5014; 11.3669; 102.934; 91.19; 107.073;  

COD ID: 1516805
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 299.77
Cell parameters: 5.1788; 5.499; 11.3501; 102.992; 91.237; 107.058;  

COD ID: 1516806
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 299.58
Cell parameters: 5.1785; 5.5003; 11.3433; 103.032; 91.273; 107.054;  

COD ID: 1516807
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 298.75
Cell parameters: 5.1741; 5.4977; 11.3292; 103.079; 91.286; 107.046;  

COD ID: 1516808
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 298.5
Cell parameters: 5.1725; 5.4987; 11.3229; 103.123; 91.313; 107.03;  

COD ID: 1516809
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 298.02
Cell parameters: 5.1707; 5.4969; 11.3141; 103.133; 91.352; 107.033;  

COD ID: 1516810
CIF file Formula: - C4 H9 N O2 S -
Comments: Minkov, Vasily S.; Boldyreva, Elena V. Contribution of Weak S-H···O Hydrogen Bonds to the Side Chain Motions in d,l-Homocysteine on Cooling. The journal of physical chemistry. B 118(29) (2014) 8513-8523
Space group: P -1
Cell volume: 297.58
Cell parameters: 5.1682; 5.4961; 11.3055; 103.162; 91.377; 107.022;  

COD ID: 1517407
CIF file Formula: - C25 H32 Cl F2 N O4 -
Comments: Vogt, Frederick G.; Williams, Glenn R.; Strohmeier, Mark; Johnson, Matthew N.; Copley, Royston C. B. Solid-state NMR analysis of a complex crystalline phase of ronacaleret hydrochloride. The journal of physical chemistry. B 118(34) (2014) 10266-10284
Space group: P 1 21 1
Cell volume: 2445.7
Cell parameters: 13.649; 7.6848; 23.486; 90; 96.889; 90;  

COD ID: 1517496
CIF file Formula: - C10 H15 Cl -
Comments: Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise Polymorphism in 2-x-adamantane derivatives (x = cl, br). The journal of physical chemistry. B 118(32) (2014) 9595-9603
Space group: P -1
Cell volume: 431.92
Cell parameters: 6.4681; 6.7071; 11.012; 91.016; 90.85; 115.238;  

COD ID: 1517497
CIF file Formula: - C10 H15 Br -
Comments: Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise Polymorphism in 2-x-adamantane derivatives (x = cl, br). The journal of physical chemistry. B 118(32) (2014) 9595-9603
Space group: P 21 21 21
Cell volume: 914.7
Cell parameters: 6.5912; 8.2254; 16.8717; 90; 90; 90;  

COD ID: 1517498
CIF file Formula: - C10 H15 Cl -
Comments: Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise Polymorphism in 2-x-adamantane derivatives (x = cl, br). The journal of physical chemistry. B 118(32) (2014) 9595-9603
Space group: C 1 2/c 1
Cell volume: 1779.5
Cell parameters: 25.474; 6.6142; 11.9851; 90; 118.211; 90;  

COD ID: 1518036
CIF file Formula: - C144 H120 Au36 S24 -
Comments: Nimmala, Praneeth Reddy; Knoppe, Stefan; Jupally, Vijay Reddy; Delcamp, Jared H.; Aikens, Christine M.; Dass, Amala Au36(SPh)24 nanomolecules: X-ray crystal structure, optical spectroscopy, electrochemistry, and theoretical analysis. The journal of physical chemistry. B 118(49) (2014) 14157-14167
Space group: P -1
Cell volume: 10620
Cell parameters: 18.554; 20.37; 30.482; 95.488; 94.821; 110.991;  

COD ID: 1518282
CIF file Formula: - C22 H18 F24 Li4 N6 O16 S8 -
Comments: Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A. Solvate structures and spectroscopic characterization of LiTFSI electrolytes. The journal of physical chemistry. B 118(47) (2014) 13601-13608
Space group: P 1 21/c 1
Cell volume: 4874.9
Cell parameters: 24.7926; 9.6843; 22.7656; 90; 116.891; 90;  

COD ID: 1518283
CIF file Formula: - C30 H24 F6 Li N5 O4 S2 -
Comments: Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A. Solvate structures and spectroscopic characterization of LiTFSI electrolytes. The journal of physical chemistry. B 118(47) (2014) 13601-13608
Space group: P 1 21/c 1
Cell volume: 3065
Cell parameters: 13.66; 15.166; 16.582; 90; 116.833; 90;  

COD ID: 1518284
CIF file Formula: - C10 H18 F6 Li N O8 S2 -
Comments: Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A. Solvate structures and spectroscopic characterization of LiTFSI electrolytes. The journal of physical chemistry. B 118(47) (2014) 13601-13608
Space group: C 1 2/c 1
Cell volume: 3919.1
Cell parameters: 28.7748; 8.5669; 17.3887; 90; 113.895; 90;  

COD ID: 1518285
CIF file Formula: - C38 H24 F6 Li N7 O4 S2 -
Comments: Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A. Solvate structures and spectroscopic characterization of LiTFSI electrolytes. The journal of physical chemistry. B 118(47) (2014) 13601-13608
Space group: P 1 21/c 1
Cell volume: 7281
Cell parameters: 19.363; 12.764; 29.777; 90; 98.371; 90;  

COD ID: 1518378
CIF file Formula: - C15 H24 F6 Mn0.5 N4 O6 P -
Comments: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. The journal of physical chemistry. B 118(50) (2014) 14713-14726
Space group: P -1
Cell volume: 1096.31
Cell parameters: 7.272; 11.5596; 13.8989; 85.38; 76.438; 74.896;  

COD ID: 1518379
CIF file Formula: - C30 H48 F12 N8 O12 P2 Zn -
Comments: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. The journal of physical chemistry. B 118(50) (2014) 14713-14726
Space group: P -1
Cell volume: 1118.32
Cell parameters: 7.209; 11.6545; 14.121; 86.113; 75.849; 76.45;  

COD ID: 1518380
CIF file Formula: - C30 H48 F12 Mg N8 O12 P2 -
Comments: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. The journal of physical chemistry. B 118(50) (2014) 14713-14726
Space group: P -1
Cell volume: 1080.99
Cell parameters: 7.1432; 11.5494; 13.8681; 86.818; 76.679; 76.156;  

COD ID: 1518381
CIF file Formula: - C30 H48 Co F12 N8 O12 P2 -
Comments: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. The journal of physical chemistry. B 118(50) (2014) 14713-14726
Space group: P -1
Cell volume: 1079.38
Cell parameters: 7.1481; 11.5208; 13.9059; 86.246; 76.498; 75.782;  

COD ID: 1518382
CIF file Formula: - C15 H20 Cu0.5 F6 N4 O4 P -
Comments: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. The journal of physical chemistry. B 118(50) (2014) 14713-14726
Space group: C 1 2/m 1
Cell volume: 1937.5
Cell parameters: 12.33; 18.095; 8.7426; 90; 96.627; 90;  

COD ID: 1518383
CIF file Formula: - C15 H24 F6 N4 Ni0.5 O6 P -
Comments: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions. The journal of physical chemistry. B 118(50) (2014) 14713-14726
Space group: P -1
Cell volume: 1072.18
Cell parameters: 7.0869; 11.5189; 13.9132; 86.24; 76.457; 76.18;  


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