Crystallography Open Database
Search results
Result: there are 772 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 C'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1501546 | CIF | C17 H26 N6 O2 | P -1 | 8.0471; 10.3951; 11.689 67.342; 85.03; 89.545 | 898.59 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501547 | CIF | C28 H40 N6 O4 | C 1 2/c 1 | 50.606; 7.9595; 14.0826 90; 95.126; 90 | 5649.8 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501548 | CIF | C24 H40 N6 O4 | P -1 | 4.8615; 7.4585; 19.034 83.881; 84.671; 79.308 | 672.43 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501549 | CIF | C26 H44 N6 O4 | P -1 | 7.5805; 11.1838; 25.627 94.378; 92.854; 101.374 | 2119.1 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501550 | CIF | C16 H24 N6 O2 | P -1 | 8.8653; 9.4282; 10.7014 104.685; 90.861; 98.832 | 853.62 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501551 | CIF | C32 H48 N6 O4 | C 1 2/c 1 | 58.554; 7.9545; 14.0407 90; 102.299; 90 | 6389.6 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501644 | CIF | C17 H26 N6 O2 | P -1 | 10.3277; 13.405; 13.648 92.13; 106.824; 95.885 | 1794.6 | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids The Journal of Physical Chemistry C, 2011, 115, 12908-12919 |
1501668 | CIF | C42 H48 Cl Eu N2 O11 | P -1 | 12.1445; 13.1978; 14.8062 110.115; 106.619; 90.128 | 2121.92 | Huang, Xiaoguang; Wang, Qin; Yan, Xuhuan; Xu, Jun; Liu, Weisheng; Wang, Qing; Tang, Yu Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid Matrix for High Performance Luminescence Application The Journal of Physical Chemistry C, 2011, 115, 2332 |
1501674 | CIF | C5 H11 F3 N2 | P -1 | 7.357; 8.151; 8.444 59.374; 61.691; 65.709 | 373.9 | Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids The Journal of Physical Chemistry C, 2011, 115, 4324 |
1501675 | CIF | C5 H12 F4 N2 | P 1 21/n 1 | 5.598; 10.6076; 14.5523 90; 92.713; 90 | 863.17 | Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids The Journal of Physical Chemistry C, 2011, 115, 4324 |
1501680 | CIF | C50 H46 N4 O4 S4 | P 1 21/c 1 | 17.756; 21.9782; 11.5593 90; 100.667; 90 | 4433 | Zhang, Fen; Roznyatovskiy, Vladimir; Fan, Fu-Ren F.; Lynch, Vincent; Sessler, Jonathan L.; Bard, Allen J. A Method for Rapid Screening of Photosensitizers by Scanning Electrochemical Microscopy (SECM) and the Synthesis and Testing of a Porphyrin Sensitizer The Journal of Physical Chemistry C, 2011, 115, 2592 |
1501681 | CIF | C196 H128 Cl8 | P 1 21/c 1 | 11.849; 17.35; 21.055 90; 121.146; 90 | 3704.5 | Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes The Journal of Physical Chemistry C, 2011, 115, 4872 |
1501684 | CIF | B10 H30 Mg O10 | C 1 2/c 1 | 14.22; 16.974; 15.099 90; 92.46; 90 | 3641.1 | Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O The Journal of Physical Chemistry C, 2011, 115, 11793 |
1501697 | CIF | C21 H25 N Si | P -1 | 10.7935; 11.3034; 16.2004 107.802; 93.422; 95.478 | 1865 | Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State The Journal of Physical Chemistry C, 2011, 115, 11265 |
1501698 | CIF | C27 H26 F3 N Si | P 21 21 21 | 8.0586; 14.782; 20.24 90; 90; 90 | 2411 | Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State The Journal of Physical Chemistry C, 2011, 115, 11265 |
1501717 | CIF | C22 H30 N4 O2 | P -1 | 6.9676; 8.345; 9.765 79.75; 70.26; 83.19 | 524.8 | Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives The Journal of Physical Chemistry C, 2011, 115, 14353 |
1501718 | CIF | C22 H30 N4 O2 | P 1 21/n 1 | 12.055; 6.5584; 13.381 90; 95.95; 90 | 1052.2 | Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives The Journal of Physical Chemistry C, 2011, 115, 14353 |
1501743 | CIF | C29 H17 N | P 1 21/c 1 | 12.102; 6.175; 25.167 90; 92.532; 90 | 1878.9 | Xin, Qian; Duhm, Steffen; Hosoumi, Shunsuke; Ueno, Nobuo; Tao, Xu-tang; Kera, Satoshi Impact of Nitrogen Substitution and Molecular Orientation on the Energy-Level Alignment of Heteroacene Films The Journal of Physical Chemistry C, 2011, 115, 15502 |
1501757 | CIF | B3 Ce Cl D12 Li | I -4 3 m | 11.5917; 11.5917; 11.5917 90; 90; 90 | 1557.55 | Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C. Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl The Journal of Physical Chemistry C, 2011, 115, 23591 |
1501758 | CIF | B3 Ce Cl D12 Li | I -4 3 m | 11.665; 11.665; 11.665 90; 90; 90 | 1587.3 | Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C. Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl The Journal of Physical Chemistry C, 2011, 115, 23591 |
1501768 | CIF | C18 H19 N3 O | P -1 | 6.556; 7.697; 17.438 93.754; 97.256; 116.531 | 773.58 | Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores The Journal of Physical Chemistry C, 2011, 115, 23955 |
1501769 | CIF | C18 H19 N3 | P -1 | 7.6934; 9.7091; 11.3685 84.576; 73.338; 75.881 | 788.67 | Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores The Journal of Physical Chemistry C, 2011, 115, 23955 |
1501773 | CIF | C22 H12 S4 | C 1 2/c 1 | 38.113; 5.8256; 7.8705 90; 93.77; 90 | 1743.7 | Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors The Journal of Physical Chemistry C, 2011, 115, 23984 |
1502688 | CIF | C8 Cr D4 O5 | I m c m | 16.772; 13.145; 6.847 90; 90; 90 | 1509.5 | Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J. Hydrogen in the Metal−Organic Framework Cr MIL-53 The Journal of Physical Chemistry C, 2010, 114, 10648 |
1502689 | CIF | Al | F m -3 m | 4.0339; 4.0339; 4.0339 90; 90; 90 | 65.641 | Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J. Hydrogen in the Metal−Organic Framework Cr MIL-53 The Journal of Physical Chemistry C, 2010, 114, 10648 |
1502690 | CIF | O2.06 Si | C 1 2/m 1 | 18.6386; 13.49476; 7.63047 90; 101.616; 90 | 1879.94 | Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion The Journal of Physical Chemistry C, 2010, 114, 11650 |
1502691 | CIF | O2.27 Si | C 1 2/m 1 | 18.60462; 13.49472; 7.60745 90; 101.425; 90 | 1872.11 | Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion The Journal of Physical Chemistry C, 2010, 114, 11650 |
1502696 | CIF | C16 H12 Br N3 S | P -1 | 7.012; 8.204; 13.839 99.83; 104.43; 103.92 | 725.5 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
1502697 | CIF | C24 H18 N6 S | I b a 2 | 20.712; 24.812; 7.977 90; 90; 90 | 4099 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
1502698 | CIF | C21 H22 N4 S | P -1 | 7.796; 11.103; 11.989 116.03; 94.517; 90.441 | 928.6 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
1502699 | CIF | C16 H13 N3 S | P 1 21/c 1 | 9.245; 7.1205; 20.631 90; 98.268; 90 | 1344 | Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole The Journal of Physical Chemistry C, 2010, 114, 15109 |
1502711 | CIF | C134 H56 Gd3 N5 Ni | C 1 2/m 1 | 25.2056; 15.4634; 19.9594 90; 92.52; 90 | 7771.9 | Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes The Journal of Physical Chemistry C, 2010, 114, 13003 |
1502712 | CIF | C50 H24 Cl4 Mn N8 | C 1 2/c 1 | 19.4543; 10.1426; 22.8662 90; 92.539; 90 | 4507.5 | Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S. Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−† The Journal of Physical Chemistry C, 2010, 114, 20614 |
1502713 | CIF | C50 H24 Cl4 Mn N8 | P 1 21/n 1 | 9.5196; 10.7091; 22.28 90; 92.8788; 90 | 2268.5 | Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S. Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−† The Journal of Physical Chemistry C, 2010, 114, 20614 |
1502719 | CIF | C107 H47 Br | P 1 21/a 1 | 20.2439; 14.5966; 21.7947 90; 100.403; 90 | 6334.3 | Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C, 2010, 114, 17741 |
1502720 | CIF | C266 H120 O2 S4 | P -1 | 17.009; 22.21; 22.825 99.68; 104.3; 90.07 | 8228.22 | Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property The Journal of Physical Chemistry C, 2010, 114, 17741 |
1502734 | CIF | C44 H30 | R -3 :H | 39.1553; 39.1553; 11.16743 90; 90; 120 | 14827.4 | Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride The Journal of Physical Chemistry C, 2010, 114, 18702 |
1502735 | CIF | C60 H42 | P 1 21/n 1 | 10.5356; 9.7161; 41.525 90; 94.721; 90 | 4236.3 | Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride The Journal of Physical Chemistry C, 2010, 114, 18702 |
1502738 | CIF | C21 H24 F6 N3 O3 P S | P -1 | 9.4565; 11.8283; 11.8421 73.341; 67.179; 76.833 | 1159.42 | Hrobárik, Peter; Sigmundová, Ivica; Zahradník, Pavol; Kasák, Peter; Arion, Vladimir; Franz, Edith; Clays, Koen Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses? The Journal of Physical Chemistry C, 2010, 114, 22289 |
1502751 | CIF | C18 H21 N3 O4 | P -1 | 8.04668; 9.35578; 11.91507 102.436; 103.177; 98.6481 | 833.92 | Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M. Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques The Journal of Physical Chemistry C, 2010, 114, 580 |
1502752 | CIF | C18 H21 N3 O4 | C 1 2/c 1 | 14.0496; 11.80399; 20.9323 90; 100.936; 90 | 3408.4 | Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M. Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques The Journal of Physical Chemistry C, 2010, 114, 580 |
1502753 | CIF | C60 H55 N3 O2 S2 | P -1 | 12.5499; 14.0994; 14.8676 88.659; 71.166; 80.833 | 2457 | Balaji, Ganapathy; Parameswaran, Manoj; Jin, Tan Mein; Vijila, Chellappan; Furong, Zhu; Valiyaveettil, Suresh Synthesis and Hole-Transporting Properties of Highly FluorescentN-Aryl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Oligomers The Journal of Physical Chemistry C, 2010, 114, 4628 |
1502757 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.89; 9.37; 29.06 90; 90.64; 90 | 1059.2 | Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation The Journal of Physical Chemistry C, 2010, 114, 4142 |
1502758 | CIF | C15 H10 O2 | P 1 21/n 1 | 3.9; 9.37; 29.07 90; 90.64; 90 | 1062.2 | Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation The Journal of Physical Chemistry C, 2010, 114, 4142 |
1502767 | CIF | C34 H30 N4 O | P 1 21/n 1 | 18.382; 5.7303; 25.034 90; 92.7; 90 | 2634 | Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds The Journal of Physical Chemistry C, 2010, 114, 2925 |
1507134 | CIF | B3 H12 K Zn | R 3 :H | 7.6291; 7.6291; 10.977 90; 90; 120 | 553.3 | Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R. Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions The Journal of Physical Chemistry C, 2012, 116, 1563 |
1507135 | CIF | B1.89 Cl2.11 H16 K2 Zn | P 1 21/n 1 | 12.3628; 9.1099; 7.3394 90; 95.737; 90 | 822.5 | Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R. Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions The Journal of Physical Chemistry C, 2012, 116, 1563 |
1507790 | CIF | C26 H26 O8 | P -1 | 9.3227; 10.6215; 13.2099 76.492; 69.406; 78.765 | 1181.44 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
1507791 | CIF | C34 H30 O8 | P -1 | 9.0092; 9.5914; 10.1026 70.319; 66.113; 65.792 | 712.59 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
1507792 | CIF | C41 H35 Cl3 O8 | P 1 21 1 | 10.2725; 15.2009; 23.731 90; 95.896; 90 | 3686.02 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
1507793 | CIF | C44 H36 Cl6 O8 | P -1 | 9.0194; 10.271; 13.3188 67.405; 73.348; 64.216 | 1015.07 | Zhou, Hui; Maris, Thierry; Wuest, James D. Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids The Journal of Physical Chemistry C, 2012, 116, 13052 |
1507794 | CIF | C16 H18 S4 Si | C 1 2/c 1 | 12.2489; 9.598; 31.693 90; 96.914; 90 | 3698.9 | Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films The Journal of Physical Chemistry C, 2012, 116, 12093 |
1507795 | CIF | C13 H10 S4 | P 1 21/n 1 | 7.514; 7.9218; 22.6337 90; 93.267; 90 | 1345.1 | Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films The Journal of Physical Chemistry C, 2012, 116, 12093 |
1507796 | CIF | C24 H12 N12 O25 Zn6 | P a -3 | 20.123; 20.123; 20.123 90; 90; 90 | 8148.5 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
1507797 | CIF | C24 H12 Cu9 N12 O23 | F m -3 m | 42.606; 42.606; 42.606 90; 90; 90 | 77341 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
1507798 | CIF | C48 H72 B6 N12 O13 Zn4 | F m -3 m | 33.41; 33.41; 33.41 90; 90; 90 | 37293 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
1507799 | CIF | C48 H24 O13 Zn4 | P 42/n c m :2 | 19.7213; 19.7213; 39.411 90; 90; 90 | 15328.1 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
1507800 | CIF | C54 H24 O13 Zn4 | P 32 1 2 | 31.114; 31.114; 39.28 90; 90; 120 | 32932 | Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M. Hydrogen Storage in New Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2012, 116, 13143 |
1507801 | CIF | C49 H37 N2 O5 | P -1 | 10.4825; 12.3742; 16.3558 83.7391; 86.7693; 68.5231 | 1962.16 | Cheriya, Rijo T.; Joy, Jimmy; Alex, Andrews P.; Shaji, Anil; Hariharan, Mahesh Energy Transfer in Near-Orthogonally Arranged Chromophores Separated through a Single Bond The Journal of Physical Chemistry C, 2012, 116, 12489 |
1508260 | CIF | C24 H16 N2 | P n a 21 | 19.5; 6.929; 26.031 90; 90; 90 | 3517 | Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission The Journal of Physical Chemistry C, 2012, 116, 15146 |
1508268 | CIF | C58 Cr6 K2 N6 O70 Si W12 | C 1 2/c 1 | 32.2759; 25.4517; 13.9332 90; 110.053; 90 | 10751.9 | Eguchi, Ryo; Uchida, Sayaka; Mizuno, Noritaka Highly Selective Sorption and Separation of CO2from a Gas Mixture of CO2and CH4at Room Temperature by a Zeolitic Organic‒Inorganic Ionic Crystal and Investigation of the Interaction with CO2 The Journal of Physical Chemistry C, 2012, 116, 16105 |
1508526 | CIF | C3 H7 O5 P | P 1 21/n 1 | 5.77; 5.3158; 20.0297 90; 94.956; 90 | 612.06 | Blanchard, John W.; Groy, Thomas L.; Yarger, Jeffery L.; Holland, Gregory P. Investigating Hydrogen-Bonded Phosphonic Acids with Proton Ultrafast MAS NMR and DFT Calculations The Journal of Physical Chemistry C, 2012, 116, 18824 |
1508527 | CIF | La0.6 O7 Si2 Y1.4 | P 1 21/c 1 | 5.40134; 8.6917; 14.09262 90; 112.636; 90 | 610.638 | Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I. Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy The Journal of Physical Chemistry C, 2012, 116, 21523 |
1508528 | CIF | La0.6 O7 Si2 Y1.4 | P 1 21/c 1 | 5.381678; 8.60257; 14.03235 90; 113.212; 90 | 597.06 | Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I. Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy The Journal of Physical Chemistry C, 2012, 116, 21523 |
1508529 | CIF | La0.9 O7 Si2 Y1.1 | P 1 21/c 1 | 5.379664; 8.581892; 14.03969 90; 113.369; 90 | 595.01 | Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I. Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy The Journal of Physical Chemistry C, 2012, 116, 21523 |
1508530 | CIF | La0.6 O7 Si2 Y1.4 | P 1 21/c 1 | 5.37478; 8.54709; 14.0561 90; 113.637; 90 | 591.545 | Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I. Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy The Journal of Physical Chemistry C, 2012, 116, 21523 |
1508531 | CIF | La0.2 O7 Si2 Y1.8 | P n a m | 13.74372; 5.02936; 8.20701 90; 90; 90 | 567.286 | Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I. Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy The Journal of Physical Chemistry C, 2012, 116, 21523 |
1508532 | CIF | La0.2 O7 Si2 Y1.8 | P n a m | 13.70483; 5.02519; 8.17844 90; 90; 90 | 563.244 | Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I. Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy The Journal of Physical Chemistry C, 2012, 116, 21523 |
1508533 | CIF | B4 H16 Zr | P -4 3 m | 5.8387; 5.8387; 5.8387 90; 90; 90 | 199.04 | Rude, Line H.; Corno, Marta; Ugliengo, Piero; Baricco, Marcello; Lee, Young-Su; Cho, Young Whan; Besenbacher, Flemming; Overgaard, Jacob; Jensen, Torben R. Synthesis and Structural Investigation of Zr(BH4)4 The Journal of Physical Chemistry C, 2012, 116, 20239 |
1508534 | CIF | C38 H44 O4 | P -1 | 9.4067; 10.9795; 15.662 86.97; 85.99; 88.859 | 1611.2 | Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli The Journal of Physical Chemistry C, 2012, 116, 21967 |
1508535 | CIF | C42 H52 O4 | P 1 21/c 1 | 9.5229; 12.0451; 32.149 90; 99.557; 90 | 3636.4 | Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli The Journal of Physical Chemistry C, 2012, 116, 21967 |
1508536 | CIF | C49 H37 N2 O5 | P -1 | 10.4825; 12.3742; 16.3558 83.7391; 86.7693; 68.5231 | 1962.16 | Cheriya, Rijo T.; Joy, Jimmy; Rajagopal, Shinaj K.; Nagarajan, Kalaivanan; Hariharan, Mahesh DNA-Enforced Conformational Restriction of an Atropisomer The Journal of Physical Chemistry C, 2012, 116, 22631 |
1508537 | CIF | C84 H36 F8 N8 | P -1 | 7.2802; 19.228; 22.545 112.045; 90.085; 94.351 | 2915.2 | Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo Generation and Diffusion of Photocarriers in Molecular Donor‒Acceptor Systems: Dependence on Charge-Transfer Gap Energy The Journal of Physical Chemistry C, 2012, 116, 23957 |
1508538 | CIF | C28 H24 N6 | P 1 21/n 1 | 6.7481; 21.891; 8.1279 90; 100.229; 90 | 1181.6 | Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo Generation and Diffusion of Photocarriers in Molecular Donor‒Acceptor Systems: Dependence on Charge-Transfer Gap Energy The Journal of Physical Chemistry C, 2012, 116, 23957 |
1508823 | CIF | C48 H53 N O7 Pt | P 1 21/c 1 | 18.3993; 8.58214; 27.5862 90; 106.182; 90 | 4183.4 | Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand The Journal of Physical Chemistry C, 2013, 117, 532 |
1508824 | CIF | C28 H29 N O3 Pt | P 1 21/c 1 | 8.8407; 17.8439; 31.9076 90; 92.0189; 90 | 5030.4 | Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand The Journal of Physical Chemistry C, 2013, 117, 532 |
1508919 | CIF | C49 H37 N2 O5 | P -1 | 10.4825; 12.3742; 16.3558 83.7391; 86.7693; 68.5231 | 1962.16 | Cheriya, Rijo T.; Nagarajan, Kalaivanan; Hariharan, Mahesh Single-Component Organic Light-Harvesting Red Luminescent Crystal The Journal of Physical Chemistry C, 2013, 117, 3240 |
1508920 | CIF | C28 H24 N2 O4 | P 1 21/c 1 | 11.125; 21.323; 10.4804 90; 107.093; 90 | 2376.3 | Wei, Ruirui; Song, Panshu; Tong, Aijun Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence The Journal of Physical Chemistry C, 2013, 117, 3467 |
1508921 | CIF | C28 H24 N2 O4 | C 1 2/c 1 | 19.228; 12.902; 21.509 90; 118.55; 90 | 4687.1 | Wei, Ruirui; Song, Panshu; Tong, Aijun Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence The Journal of Physical Chemistry C, 2013, 117, 3467 |
1511784 | CIF | C8 H8 B F2 Li N2 O4 | P 1 21/m 1 | 6.1948; 15.6492; 6.2164 90; 113.897; 90 | 550.98 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511785 | CIF | C4 H3 B F2 Li N O4 | P n m a | 8.0325; 6.1722; 14.8786 90; 90; 90 | 737.65 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511786 | CIF | C8 H9 B F2 Li N3 O4 | P n m a | 8.0286; 6.3995; 24.6301 90; 90; 90 | 1265.47 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511787 | CIF | C84 H144 B6 F12 Li6 N8 O48 | P 1 21/c 1 | 21.957; 12.906; 25.723 90; 122.419; 90 | 6153 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511788 | CIF | C13 H18 B2 F4 Li2 O17 | P 1 21/n 1 | 8.1606; 10.7284; 12.8309 90; 94.6107; 90 | 1119.71 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511789 | CIF | C22 H42 B2 F4 Li2 O14 | P 1 | 8.554; 8.841; 12.929 93.573; 108.72; 114.576 | 820.1 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511790 | CIF | C10 H20 B F2 Li O8 | C 1 2/c 1 | 25.731; 8.467; 16.921 90; 118.327; 90 | 3245 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511791 | CIF | C6 H6 B F2 Li O7 | P 1 21/m 1 | 6.443; 6.2831; 12.1294 90; 97.91; 90 | 486.35 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511792 | CIF | C11 H23 B F2 Li N3 O4 | P 1 21/c 1 | 13.626; 8.717; 18.413 90; 130.986; 90 | 1650.9 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511793 | CIF | C6 H4 B F2 Li N2 O4 | P n m a | 8.58; 7.781; 13.926 90; 90; 90 | 929.7 | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes The Journal of Physical Chemistry C, 2013, 117, 5521 |
1511794 | CIF | C38 H45 B F2 N2 | P 1 21/c 1 | 14.0557; 11.4779; 19.3737 90; 98.905; 90 | 3087.9 | Vu, Thanh Truc; Dvorko, Marina; Schmidt, Elena Y.; Audibert, Jean-Frédéric; Retailleau, Pascal; Trofimov, Boris A.; Pansu, Robert B.; Clavier, Gilles; Méallet-Renault, Rachel Understanding the Spectroscopic Properties and Aggregation Process of a New Emitting Boron Dipyrromethene (BODIPY) The Journal of Physical Chemistry C, 2013, 117, 5373 |
1511795 | CIF | C14 H8 O2 S3 | P c a 21 | 27.724; 3.8968; 11.6473 90; 90; 90 | 1258.31 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
1511796 | CIF | C10 H6 O2 S2 | P 1 21/c 1 | 7.2737; 4.7577; 13.719 90; 96.938; 90 | 471.28 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
1511797 | CIF | C16 H8 O4 S3 | P 1 21/c 1 | 17.4433; 7.3062; 11.3446 90; 92.185; 90 | 1444.75 | Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D. Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules The Journal of Physical Chemistry C, 2013, 117, 6022 |
1511798 | CIF | C62 H72 N6 S8 Si | C 1 2/c 1 | 39.3141; 15.2065; 10.3691 90; 103.575; 90 | 6025.8 | Zhugayevych, Andriy; Postupna, Olena; Bakus II, Ronald C.; Welch, Gregory C.; Bazan, Guillermo C.; Tretiak, Sergei Ab Initio Study of a Molecular Crystal for Photovoltaics: Light Absorption, Exciton and Charge Carrier Transport The Journal of Physical Chemistry C, 2013, 117, 4920 |
1511799 | CIF | C3.665 D45.54 O30.33 | P m -3 n | 11.8679; 11.8679; 11.8679 90; 90; 90 | 1671.56 | Falenty, A.; Salamatin, A. N.; Kuhs, W. F. Kinetics of CO2-Hydrate Formation from Ice Powders: Data Summary and Modeling Extended to Low Temperatures The Journal of Physical Chemistry C, 2013, 117, 8443 |
1511800 | CIF | C12 H7 O P S3 | P 1 21/c 1 | 10.076; 8.291; 14.934 90; 99.516; 90 | 1230.42 | Ren, Yi; Biegger, Felix; Baumgartner, Thomas Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes The Journal of Physical Chemistry C, 2013, 117, 4748 |
1511801 | CIF | C3 H8 | P 1 21/n 1 | 3.8208; 11.912; 6.388 90; 91.11; 90 | 290.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511802 | CIF | C3 H8 | P 1 21/n 1 | 3.8036; 11.858; 6.3628 90; 91.083; 90 | 286.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511803 | CIF | C3 H8 | P 1 21/n 1 | 3.7895; 11.825; 6.34 90; 91.096; 90 | 284 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511804 | CIF | C3 H8 | P 1 21/n 1 | 3.7633; 11.778; 6.305 90; 90.85; 90 | 279.4 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511805 | CIF | C3 H8 | P 1 21/n 1 | 3.762; 11.781; 6.281 90; 90.84; 90 | 278.3 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511806 | CIF | C3 H8 | P 1 21/n 1 | 3.722; 11.676; 6.212 90; 90.86; 90 | 269.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511807 | CIF | C3 H8 | P 1 21/n 1 | 3.689; 11.651; 6.151 90; 90.48; 90 | 264.4 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511808 | CIF | C4 H10 | P 1 21/c 1 | 5.416; 4.893; 7.294 90; 104.78; 90 | 186.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511809 | CIF | C4 H10 | P 1 21/c 1 | 5.408; 4.887; 7.275 90; 104.65; 90 | 186 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511810 | CIF | C4 H10 | P 1 21/c 1 | 5.344; 4.833; 7.15 90; 104.63; 90 | 178.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511811 | CIF | C4 H10 | P 1 21/c 1 | 5.267; 4.759; 7.05 90; 103.85; 90 | 171.6 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511812 | CIF | C4 H10 | P 1 21/c 1 | 5.236; 4.735; 6.912 90; 104.11; 90 | 166.2 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C, 2013, 117, 4759 |
1511813 | CIF | C52 H50 O2 | P -1 | 12.28; 15.6586; 23.5675 76.397; 78.217; 74.138 | 4189.2 | Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C, 2013, 117, 7236 |
1511814 | CIF | C60 H64 O2 | P 1 21/c 1 | 12.4695; 25.1015; 16.1011 90; 107.8; 90 | 4798.4 | Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C, 2013, 117, 7236 |
1511815 | CIF | C5 H6 N2 O S | P 1 21/c 1 | 4.3315; 14.4396; 9.5617 90; 90.8638; 90 | 597.97 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C, 2013, 117, 7764 |
1511816 | CIF | C5 H6 N2 O S | P 1 21/c 1 | 4.3135; 14.432; 9.5548 90; 91.17; 90 | 594.69 | Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M. Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil The Journal of Physical Chemistry C, 2013, 117, 7764 |
1511817 | CIF | C28 H34 | P -1 | 6.663; 6.883; 12.477 94.702; 94.348; 103.397 | 552.1 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
1511818 | CIF | C38 H42 | P 1 21/c 1 | 8.7787; 15.673; 10.689 90; 102.668; 90 | 1434.9 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
1511819 | CIF | C33 H34 O2 | P 1 21/n 1 | 9.862; 49.707; 10.319 90; 93.959; 90 | 5046 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
1511820 | CIF | C50 H70 Na2 O14 S2 | P -1 | 12.824; 16.877; 25.494 103.863; 91.782; 108.619 | 5042 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
1511821 | CIF | C50 H58 | P -1 | 7.617; 10.296; 13.249 72.923; 75.218; 76.43 | 945.9 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
1511822 | CIF | C52 H54 O2 | P 1 21/c 1 | 15.938; 11.092; 23.495 90; 104.583; 90 | 4019.7 | Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C, 2013, 117, 8429 |
1511830 | CIF | C8 H8 O3 | P b c a | 9.676; 16.2; 9.8866 90; 90; 90 | 1549.7 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511831 | CIF | C8 H8 O3 | P b c a | 9.66; 16.126; 9.753 90; 90; 90 | 1519.3 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511832 | CIF | C8 H8 O3 | P b c a | 9.676; 16.179; 9.627 90; 90; 90 | 1507.1 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511833 | CIF | C8 H8 O3 | P b c a | 9.634; 16.132; 9.466 90; 90; 90 | 1471.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511834 | CIF | C8 H8 O3 | P b c a | 9.637; 16.135; 9.365 90; 90; 90 | 1456.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511835 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.825; 28.908; 8.224 90; 93.03; 90 | 1382.9 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511836 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.8185; 28.941; 8.173 90; 93.01; 90 | 1374.4 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511837 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.806; 28.807; 8.05 90; 93.12; 90 | 1344.4 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511838 | CIF | C8 H8 O3 | P 1 21/c 1 | 5.786; 28.65; 7.924 90; 93.44; 90 | 1311.2 | Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C, 2013, 117, 7279 |
1511979 | CIF | C19 H18 N2 O | P n a 21 | 15.399; 10.82; 9.613 90; 90; 90 | 1601.7 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
1511980 | CIF | C19 H18 N2 O | P n a 21 | 15.393; 10.798; 9.5855 90; 90; 90 | 1593.2 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
1511981 | CIF | C19 H18 N2 O | P n a 21 | 15.3711; 10.7478; 9.5826 90; 90; 90 | 1583.1 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
1511983 | CIF | C3 H4 N2 | P n a 21 | 7.054; 12.84; 8.232 90; 90; 90 | 745.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511984 | CIF | C3 H4 N2 | P n a 21 | 6.971; 12.783; 8.247 90; 90; 90 | 734.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511985 | CIF | C3 H4 N2 | P n a 21 | 6.8805; 12.6682; 8.209 90; 90; 90 | 715.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511986 | CIF | C3 H4 N2 | P n a b | 6.749; 12.599; 8.191 90; 90; 90 | 696.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511987 | CIF | C3 H4 N2 | P n a b | 6.6851; 12.492; 8.146 90; 90; 90 | 680.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511988 | CIF | C3 H4 N2 | P n a b | 6.612; 12.385; 8.099 90; 90; 90 | 663.2 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511989 | CIF | C3 H4 N2 | P n a b | 6.45; 12.224; 8.0651 90; 90; 90 | 635.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511990 | CIF | C3 H4 N2 | P n a b | 6.392; 12.04; 8.052 90; 90; 90 | 619.7 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511991 | CIF | C3 H4 N2 | P n a b | 6.3573; 12.03; 7.984 90; 90; 90 | 610.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511992 | CIF | C3 H4 N2 | P n a b | 6.147; 11.648; 7.876 90; 90; 90 | 563.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511993 | CIF | C3 H4 N2 | P n a b | 6.0669; 11.554; 7.814 90; 90; 90 | 547.7 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511994 | CIF | C3 H4 N2 | P n a 21 | 6.8012; 12.5689; 8.2278 90; 90; 90 | 703.34 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511995 | CIF | C3 H4 N2 | P n a 21 | 6.8045; 12.5768; 8.2278 90; 90; 90 | 704.13 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511996 | CIF | C3 H4 N2 | P n a 21 | 6.8163; 12.5868; 8.2275 90; 90; 90 | 705.88 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511997 | CIF | C3 H4 N2 | P n a 21 | 6.8245; 12.5972; 8.2273 90; 90; 90 | 707.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511998 | CIF | C3 H4 N2 | P n a 21 | 6.8306; 12.6103; 8.2284 90; 90; 90 | 708.76 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1511999 | CIF | C3 H4 N2 | P n a 21 | 6.8442; 12.6228; 8.2283 90; 90; 90 | 710.87 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512000 | CIF | C3 H4 N2 | P n a 21 | 6.8508; 12.6373; 8.2299 90; 90; 90 | 712.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512001 | CIF | C3 H4 N2 | P n a 21 | 6.8614; 12.65; 8.2274 90; 90; 90 | 714.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512002 | CIF | C3 H4 N2 | P n a 21 | 6.8794; 12.6652; 8.2302 90; 90; 90 | 717.09 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512003 | CIF | C3 H4 N2 | P n a 21 | 6.8902; 12.6822; 8.2327 90; 90; 90 | 719.4 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512004 | CIF | C3 H4 N2 | P n a 21 | 6.903; 12.6968; 8.2321 90; 90; 90 | 721.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512005 | CIF | C3 H4 N2 | P n a 21 | 6.9155; 12.7076; 8.2322 90; 90; 90 | 723.44 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512006 | CIF | C3 H4 N2 | P n a 21 | 6.9234; 12.7234; 8.2337 90; 90; 90 | 725.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512007 | CIF | C3 H4 N2 | P n a 21 | 6.9397; 12.7371; 8.2303 90; 90; 90 | 727.49 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512008 | CIF | C3 H4 N2 | P n a 21 | 6.9533; 12.7634; 8.2281 90; 90; 90 | 730.23 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512009 | CIF | C3 H4 N2 | P n a 21 | 6.9692; 12.7818; 8.2245 90; 90; 90 | 732.63 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512010 | CIF | C3 H4 N2 | P n a 21 | 6.9782; 12.798; 8.2237 90; 90; 90 | 734.43 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512011 | CIF | C3 H4 N2 | P n a 21 | 6.9934; 12.8124; 8.2255 90; 90; 90 | 737.02 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512012 | CIF | C3 H4 N2 | P n a 21 | 7.01; 12.831; 8.2285 90; 90; 90 | 740.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512013 | CIF | C3 H4 N2 | P n a 21 | 7.0252; 12.8396; 8.2185 90; 90; 90 | 741.31 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512014 | CIF | C3 H4 N2 | P n a 21 | 7.0396; 12.8637; 8.22 90; 90; 90 | 744.36 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512015 | CIF | C3 H4 N2 | P n a 21 | 7.0814; 12.8818; 8.2503 90; 90; 90 | 752.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
1512130 | CIF | C16 H15 N O4 | P b c a | 7.707; 13.875; 23.418 90; 90; 90 | 2504.2 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
1512131 | CIF | C22 H27 N O4 | C 1 2/c 1 | 25.115; 11.99; 15.721 90; 126.342; 90 | 3813 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
1512132 | CIF | C12 H13 N O2 | P 1 21/c 1 | 13.786; 5.596; 15.675 90; 122.93; 90 | 1015 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
1512133 | CIF | C17 H18 F3 N O2 | P 1 21/m 1 | 12.365; 7.358; 16.939 90; 95.378; 90 | 1534.4 | Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B The Journal of Physical Chemistry C, 2013, 117, 14130 |
1512134 | CIF | Br6.06 Cl8.31 H92 O46 | P m -3 n | 11.9619; 11.9619; 11.9619 90; 90; 90 | 1711.59 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
1512135 | CIF | C12 H4 N2 S2 | P 21 21 21 | 3.8226; 8.471; 31.554 90; 90; 90 | 1021.8 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
1512136 | CIF | C12 H4 N2 S2 | P 21 21 21 | 3.8268; 14.7465; 17.3489 90; 90; 90 | 979.03 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
1512137 | CIF | C15 H20 O S2 Si2 | P b c a | 6.9752; 21.458; 24.8 90; 90; 90 | 3711.9 | Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes The Journal of Physical Chemistry C, 2013, 117, 16759 |
1512140 | CIF | C40 H34 Cl4 N8 O10 | P -1 | 5.6982; 13.6181; 14.318 79.003; 88.852; 84.498 | 1085.63 | Wang, Liang; Chen, Yanli; Bian, Yongzhong; Jiang, Jianzhuang Porphyrin Nanocrystal Synthesized via Chemical Reaction Route: pH-Sensitive Reversible Transformation between Nanocrystals and Bulk Single Crystal The Journal of Physical Chemistry C, 2013, 117, 17352 |
1512147 | CIF | Br38.27 H344 O172 | P 42/m n m | 23.0436; 23.0436; 12.0745 90; 90; 90 | 6411.7 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
1512149 | CIF | Cl13.3 H92 O46 | P m -3 n | 11.971; 11.971; 11.971 90; 90; 90 | 1715.5 | Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A. Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding The Journal of Physical Chemistry C, 2013, 117, 14176 |
1512251 | CIF | C18 H10 N2 O4 | C 1 2/c 1 | 29.36; 3.8228; 24.968 90; 93.109; 90 | 2798.2 | Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S. Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State The Journal of Physical Chemistry C, 2013, 117, 18154 |
1512252 | CIF | C4 H12 Al Li | P 1 21/n 1 | 6.2978; 11.6066; 9.6537 90; 95.748; 90 | 702.1 | Pourpoint, Frédérique; Morin, Yohann; Gauvin, Régis M.; Trébosc, Julien; Capet, Frédéric; Lafon, Olivier; Amoureux, Jean-Paul Advances in Structural Studies on Alkylaluminum Species in the Solid State via Challenging27Al‒13C NMR Spectroscopy and X-ray Diffraction The Journal of Physical Chemistry C, 2013, 117, 18091 |
1512558 | CIF | Eu0.08 Na3.92 O24 Sc4 Si8 | C 1 2/c 1 | 9.83355; 9.07414; 5.34456 90; 107.021; 90 | 456.01 | Xia, Zhiguo; Zhang, Yuanyuan; Molokeev, Maxim S.; Atuchin, Victor V. Structural and Luminescence Properties of Yellow-Emitting NaScSi2O6:Eu2+Phosphors: Eu2+Site Preference Analysis and Generation of Red Emission by Codoping Mn2+for White-Light-Emitting Diode Applications The Journal of Physical Chemistry C, 2013, 117, 20847 |
1513083 | CIF | C23 H18 F6 S8 | P -1 | 8.7188; 11.3511; 14.6792 78.45; 74.701; 89.477 | 1371.4 | Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C, 2013, 117, 23529 |
1513084 | CIF | C24 H17 F6 N S5 | P 1 21/c 1 | 12.4181; 10.4442; 19.0213 90; 90.457; 90 | 2466.93 | Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C, 2013, 117, 23529 |
1513085 | CIF | C34 H40 N4 | C 1 2/c 1 | 21.767; 5.973; 23.372 90; 96.26; 90 | 3021 | Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene The Journal of Physical Chemistry C, 2013, 117, 24997 |
1513086 | CIF | C34 H40 N4 | P 1 21/c 1 | 11.81; 11.257; 23.291 90; 108.84; 90 | 2930.5 | Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene The Journal of Physical Chemistry C, 2013, 117, 24997 |
1513087 | CIF | Fe2 O4 Zn | F d -3 m :1 | 8.4313; 8.4313; 8.4313 90; 90; 90 | 599.35 | Teh, Pei Fen; Pramana, Stevin S.; Kim, Chunjoong; Chen, Chieh-Ming; Chuang, Cheng-Hao; Sharma, Yogesh; Cabana, Jordi; Madhavi, Srinivasan Electrochemical Reactivity with Lithium of Spinel-type ZnFe2‒yCryO4(0 ≤y≤ 2) The Journal of Physical Chemistry C, 2013, 117, 24213 |
1513088 | CIF | C10 H4 N4 S4 | P 1 21/c 1 | 5.8139; 5.8101; 17.366 90; 101.604; 90 | 574.6 | Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji Temperature-Dependent Current‒Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles The Journal of Physical Chemistry C, 2013, 117, 25325 |
1513089 | CIF | C17 H33 Er O10 | P 1 21/n 1 | 10.4187; 19.6076; 10.9402 90; 91.235; 90 | 2234.4 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
1513090 | CIF | C72 Er F60 N3 O6 P6 | P 1 2/n 1 | 12.3554; 13.8738; 23.392 90; 90.974; 90 | 4009.2 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
1513091 | CIF | C72 H60 Er N3 O6 P6 | P -1 | 14.329; 14.8267; 17.7919 89.86; 76.118; 62.792 | 3238.21 | Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I. Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study The Journal of Physical Chemistry C, 2013, 117, 23970 |
1513377 | CIF | C28 H20 O4 | P 63/m | 14.766; 14.766; 17.858 90; 90; 120 | 3372 | Surov, Oleg V.; Voronova, Marina I.; Barannikov, Vladimir P.; Shaposhnikov, Gennady P. Structural Features and Thermal Stability of 25,26,27,28-Tetrahydroxycalix[4]arene Molecular Complexes with Solvents The Journal of Physical Chemistry C, 2014, 118, 338 |
1513378 | CIF | C32 H28 N2 O6 S4 | P 1 21/c 1 | 11.1947; 5.6858; 23.9486 90; 101.642; 90 | 1492.99 | Salammal, Shabi Thankaraj; Balandier, Jean-Yves; Arlin, Jean-Baptiste; Olivier, Yoann; Lemaur, Vincent; Wang, Linjun; Beljonne, David; Cornil, Jérôme; Kennedy, Alan Robert; Geerts, Yves Henri; Chattopadhyay, Basab Polymorphism in Bulk and Thin Films: The Curious Case of Dithiophene-DPP(Boc)-Dithiophene The Journal of Physical Chemistry C, 2014, 118, 657 |
1513379 | CIF | C43 H34 Cl N6 O29 Tb4 | C 1 2/c 1 | 34.5079; 19.159; 23.9838 90; 128.019; 90 | 12491.9 | Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2014, 118, 416 |
1513380 | CIF | C43 H34 Cl Gd4 N6 O29 | C 1 2/c 1 | 34.5583; 19.0573; 23.688 90; 128.188; 90 | 12261.9 | Zhou, Jing-Min; Shi, Wei; Li, Hui-Min; Li, Han; Cheng, Peng Experimental Studies and Mechanism Analysis of High-Sensitivity Luminescent Sensing of Pollutional Small Molecules and Ions in Ln4O4Cluster Based Microporous Metal‒Organic Frameworks The Journal of Physical Chemistry C, 2014, 118, 416 |
1513806 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.4443; 12.4443; 13.0384 90; 90; 120 | 1748.62 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
1513807 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.3948; 12.3948; 12.8871 90; 90; 120 | 1714.61 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
1513808 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.4109; 12.4109; 12.99059 90; 90; 120 | 1732.87 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
1513809 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.3959; 12.3959; 12.9208 90; 90; 120 | 1719.4 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
1513810 | CIF | C8 H24 O12 Si8 | R -3 :H | 12.5077; 12.5077; 13.0995 90; 90; 120 | 1774.76 | Jalarvo, Niina; Gourdon, Olivier; Ehlers, Georg; Tyagi, Madhusudan; Kumar, Sanat K.; Dobbs, Kerwin D.; Smalley, Robert J.; Guise, William E.; Ramirez-Cuesta, Anibal; Wildgruber, Christoph; Crawford, Michael K. Structure and Dynamics of Octamethyl-POSS Nanoparticles The Journal of Physical Chemistry C, 2014, 118, 5579 |
1514183 | CIF | C6 Al K O5 Si2 | P 1 21/a 1 | 10.1307; 9.1486; 10.6002 90; 106.526; 90 | 941.86 | Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit The Journal of Physical Chemistry C, 2014, 118, 7458 |
1514184 | CIF | C6 Al K0.883 O7.255 Si2 | P 1 21/a 1 | 10.831; 10.4782; 10.6059 90; 109.924; 90 | 1131.61 | Bellettato, Michela; Bonoldi, Lucia; Cruciani, Giuseppe; Flego, Cristina; Guidetti, Stefania; Millini, Roberto; Montanari, Erica; Parker, Wallace O’Neil; Zanardi, Stefano Flexible Structure of a Thermally Stable Hybrid Aluminosilicate Built with Only the Three-Ring Unit The Journal of Physical Chemistry C, 2014, 118, 7458 |
1514242 | CIF | C4 H N5 | P 1 21/c 1 | 6.0001; 11.0822; 7.5504 90; 94.0457; 90 | 500.81 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514243 | CIF | C16 H20 Li2 N10 O4 | P -1 | 7.3027; 12.0514; 13.4782 78.9079; 84.1793; 73.2896 | 1113.53 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514244 | CIF | C20 H28 Li2 N10 O6 | P -1 | 9.1877; 9.2708; 9.6723 104.991; 111.404; 103.684 | 688.94 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514245 | CIF | C6 H F3 N4 | P 21 21 21 | 6.327; 7.943; 14.558 90; 90; 90 | 731.6 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514246 | CIF | C14 H20 F3 Li N4 O4 | P -1 | 8.5394; 9.0672; 12.4686 84.359; 84.592; 86.347 | 955.03 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514247 | CIF | C18 H28 F3 Li N4 O6 | P b c a | 15.741; 16.454; 18.665 90; 90; 90 | 4834 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514248 | CIF | C14 H18 F3 Li N4 O4 | P 1 21/c 1 | 7.2884; 14.667; 17.635 90; 108.341; 90 | 1789.4 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514249 | CIF | C20 H12 F6 Li2 N12 | P -1 | 8.521; 8.659; 10.512 100.382; 101.817; 113.835 | 663.8 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514250 | CIF | C10 H8 F3 Li N4 O | P -1 | 8.128; 8.606; 8.614 73.415; 85.388; 88.509 | 575.6 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514251 | CIF | C9 H4 F3 Li N4 O3 | P 1 21/c 1 | 11.582; 8.604; 14.248 90; 125.08; 90 | 1161.9 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514252 | CIF | C10 H6 F3 Li N4 O3 | P 1 21/c 1 | 9.2612; 14.667; 11.5933 90; 127.825; 90 | 1243.9 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514253 | CIF | C15 H6 F6 Li2 N8 O3 | C 1 2/c 1 | 15.114; 8.782; 15.345 90; 95.378; 90 | 2027.8 | McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A. Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI The Journal of Physical Chemistry C, 2014, 118, 7781 |
1514330 | CIF | C33 H30 N2 O2 | P 1 21/n 1 | 14.11; 11.504; 17.793 90; 111.155; 90 | 2693.5 | Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives The Journal of Physical Chemistry C, 2014, 118, 8531 |
1514331 | CIF | C23 H24 N4 O2 | C 1 2/c 1 | 30.567; 7.925; 17.725 90; 98.37; 90 | 4248 | Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives The Journal of Physical Chemistry C, 2014, 118, 8531 |
1514332 | CIF | C24 H25 N3 O2 | P -1 | 7.516; 8.738; 16.992 98.617; 97.284; 97.346 | 1082.1 | Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives The Journal of Physical Chemistry C, 2014, 118, 8531 |
1514333 | CIF | C24 H25 N3 O2 | P n a 21 | 48.93; 5.783; 7.453 90; 90; 90 | 2108.9 | Wang, Lianke; Shen, Yanfang; Zhu, Qiuju; Xu, Weinan; Yang, Mingdi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Systematic Study and Imaging Application of Aggregation-Induced Emission of Ester-Isophorone Derivatives The Journal of Physical Chemistry C, 2014, 118, 8531 |
1514905 | CIF | C12 H16 N4 O8 S Zn | P b c a | 9.1328; 9.0544; 39.49 90; 90; 90 | 3265.5 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
1514906 | CIF | C12 H16 Cd N4 O8 S | P 1 21 1 | 6.8863; 10.0489; 12.7212 90; 90.543; 90 | 880.26 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
1514907 | CIF | C12 H18 N6 O8 S Zn | P 1 21/c 1 | 21.2322; 8.5552; 9.475 90; 94.688; 90 | 1715.34 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
1514908 | CIF | C12 H18 Cd N6 O8 S | P n m a | 9.5591; 21.864; 8.5122 90; 90; 90 | 1779.1 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
1514909 | CIF | C12 H20 N6 O9 S Zn | P 21 21 21 | 7.9153; 10.9871; 21.5221 90; 90; 90 | 1871.7 | Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S. Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands The Journal of Physical Chemistry C, 2014, 118, 9217 |
1516032 | CIF | C48 H33 N3 | P 43 21 2 | 10.6097; 10.6097; 32.495 90; 90; 90 | 3657.8 | Gong, Yongyang; Zhang, Yiren; Yuan, Wang Zhang; Sun, Jing Zhi; Zhang, Yongming D‒A Solid Emitter with Crowded and Remarkably Twisted Conformations Exhibiting Multifunctionality and Multicolor Mechanochromism The Journal of Physical Chemistry C, 2014, 118, 10998 |
1516120 | CIF | B H6 N2 Na | P 1 21/c 1 | 4.97456; 7.9607; 10.2456 90; 115.166; 90 | 367.22 | Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation The Journal of Physical Chemistry C, 2014, 118, 11244 |
1516287 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8247; 25.8247; 25.8247 90; 90; 90 | 17222.9 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516288 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.773; 25.773; 25.773 90; 90; 90 | 17119.7 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516289 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8825; 25.8825; 25.8825 90; 90; 90 | 17338.8 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516290 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.755; 25.755; 25.755 90; 90; 90 | 17083.8 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516291 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8323; 25.8323; 25.8323 90; 90; 90 | 17238.1 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516292 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7555; 25.7555; 25.7555 90; 90; 90 | 17084.8 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516293 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8604; 25.8604; 25.8604 90; 90; 90 | 17294.4 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516294 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8643; 25.8643; 25.8643 90; 90; 90 | 17302.2 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516295 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8164; 25.8164; 25.8164 90; 90; 90 | 17206.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516296 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7874; 25.7874; 25.7874 90; 90; 90 | 17148.4 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516297 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8751; 25.8751; 25.8751 90; 90; 90 | 17323.9 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516298 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8104; 25.8104; 25.8104 90; 90; 90 | 17194.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516299 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8919; 25.8919; 25.8919 90; 90; 90 | 17357.7 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516300 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.803; 25.803; 25.803 90; 90; 90 | 17179.5 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516301 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8449; 25.8449; 25.8449 90; 90; 90 | 17263.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516302 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8503; 25.8503; 25.8503 90; 90; 90 | 17274.2 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516303 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.8382; 25.8382; 25.8382 90; 90; 90 | 17249.9 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516304 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7677; 25.7677; 25.7677 90; 90; 90 | 17109.1 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516305 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7984; 25.7984; 25.7984 90; 90; 90 | 17170.3 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516306 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7783; 25.7783; 25.7783 90; 90; 90 | 17130.2 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516307 | CIF | C24 H12 O13 Zn4 | F m -3 m | 25.7894; 25.7894; 25.7894 90; 90; 90 | 17152.4 | Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181 |
1516308 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1454; 9.1454; 13.3651 90; 90; 90 | 1117.83 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
1516309 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1827; 9.1827; 13.3572 90; 90; 90 | 1126.31 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
1516310 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1666; 9.1666; 13.3662 90; 90; 90 | 1123.12 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
1516311 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.154; 9.154; 13.3636 90; 90; 90 | 1119.81 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
1516312 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1379; 9.1379; 13.3657 90; 90; 90 | 1116.05 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
1516313 | CIF | C7 H14 F N O20 Si10 | I 4/m | 9.1695; 9.1695; 13.344 90; 90; 90 | 1122 | Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726 |
1516322 | CIF | C20 H14 B F2 I O3 | P 1 21/c 1 | 8.2225; 15.7819; 13.9342 90; 94.669; 90 | 1802.19 | D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring The Journal of Physical Chemistry C, 2014, 118, 11906 |
1516323 | CIF | C22 H17 B F2 O3 | P 1 21/c 1 | 7.0724; 13.4708; 18.7873 90; 92.283; 90 | 1788.46 | D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring The Journal of Physical Chemistry C, 2014, 118, 11906 |
1516324 | CIF | C20 H13 B Br2 F2 O3 | P 1 21/n 1 | 7.4641; 17.7664; 14.5841 90; 101.072; 90 | 1898 | D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring The Journal of Physical Chemistry C, 2014, 118, 11906 |
1516419 | CIF | C24 H12 F6 O2 S2 | C m c a | 6.844; 22.211; 13.877 90; 90; 90 | 2109 | Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer The Journal of Physical Chemistry C, 2009, 113, 17189 |
1516420 | CIF | C30 H22 | P 1 21/n 1 | 5.25; 9.4591; 20.734 90; 90.7; 90 | 1029.6 | He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892 |
1516421 | CIF | C38 H38 O2 | P -1 | 9.5989; 12.563; 14.354 110.05; 107.52; 99.46 | 1479.8 | He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892 |
1516422 | CIF | C38 H38 O2 | P 1 21/c 1 | 9.2404; 8.6917; 18.711 90; 97.04; 90 | 1491.4 | He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892 |
1516423 | CIF | C32 H26 O2 | P -1 | 6.9598; 8.8751; 10.465 101.5; 99.17; 105.19 | 595.8 | He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892 |
1516424 | CIF | H4 Li2.79 Mg2.66 N4 | I -4 2 m | 5.12981; 5.12981; 9.6191 90; 90; 90 | 253.13 | Weidner, Eveline; Dolci, Francesco; Hu, Jianjiang; Lohstroh, Wiebke; Hansen, Thomas; Bull, Daniel J.; Fichtner, Maximilian Hydrogenation Reaction Pathway in Li2Mg(NH)2 The Journal of Physical Chemistry C, 2009, 113, 15772 |
1516425 | CIF | C23 H33 N S | C 1 2/c 1 | 38.898; 6.1786; 19.3956 90; 112.449; 90 | 4308.2 | Bourque, Alex N.; Dufresne, Stéphane; Skene, W. G. Thiophene-Phenyl Azomethines with Varying Rotational Barriers - Model Compounds for Examining Imine Fluorescence Deactivation The Journal of Physical Chemistry C, 2009, 113, 19677 |
1516426 | CIF | C166 H64 N12 Ni2 | C 1 2/c 1 | 36.842; 14.498; 24.607 90; 115.396; 90 | 11873 | Nobukuni, Hirofumi; Tani, Fumito; Shimazaki, Yuichi; Naruta, Yoshinori; Ohkubo, Kei; Nakanishi, Tatsuaki; Kojima, Takahiko; Fukuzumi, Shunichi; Seki, Shu Anisotropic High Electron Mobility and Photodynamics of a Self-Assembled Porphyrin Nanotube Including C60Molecules The Journal of Physical Chemistry C, 2009, 113, 19694 |
1516427 | CIF | C21 H21 N Si | P c c n | 19.1697; 21.281; 9.166 90; 90; 90 | 3739.3 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516428 | CIF | C38 H30 N2 Si | P -1 | 8.4321; 12.7787; 13.8467 88.084; 81.072; 80.929 | 1455.4 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516429 | CIF | C56 H36 Cl2 N3 Si | P 1 21/c 1 | 15.3044; 20.9557; 14.1004 90; 97.804; 90 | 4480.3 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516430 | CIF | C72 H48 N4 Si | P -1 | 8.2688; 13.798; 23.516 79.314; 80.893; 81.98 | 2586.4 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516431 | CIF | C36 H27 N Si | P 1 21 1 | 12.622; 7.267; 16.01 90; 110.752; 90 | 1373 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516432 | CIF | C48 H34 N2 Si | C 1 2/c 1 | 17.632; 20.248; 30.81 90; 101.527; 90 | 10778 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516433 | CIF | C30 H20 N2 | P 21 21 21 | 9.0748; 12.493; 19.025 90; 90; 90 | 2156.9 | Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686 |
1516434 | CIF | B12 H12 Na2 | P 1 21/n 1 | 7.03062; 10.65399; 7.0093 90; 94.6759; 90 | 523.28 | Her, Jae-Hyuk; Zhou, Wei; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J. Role of Cation Size on the Structural Behavior of the Alkali-Metal Dodecahydro-closo-Dodecaborates The Journal of Physical Chemistry C, 2009, 113, 11187 |
1516435 | CIF | C32 H28 B F2 N2 | P -1 | 6.7344; 13.4028; 14.985 74.755; 84.053; 76.716 | 1268.7 | Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives The Journal of Physical Chemistry C, 2009, 113, 15845 |
1516436 | CIF | C27 H20 B F2 N3 | P 1 21/c 1 | 13.1915; 13.6706; 12.3036 90; 106.822; 90 | 2123.8 | Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives The Journal of Physical Chemistry C, 2009, 113, 15845 |
1516437 | CIF | C33 H34 Br N2 O10 Re | P -1 | 12.019; 12.068; 13.281 109.45; 105.58; 93.4 | 1726.1 | Yam, Vivian Wing-Wah; Song, Hai-Ou; Chan, Steve Tak-Wah; Zhu, Nianyong; Tao, Chi-Hang; Wong, Keith Man-Chung; Wu, Li-Xin Synthesis, Characterization, Ion-Binding Properties, and Fluorescence Resonance Energy Transfer Behavior of Rhenium(I) Complexes Containing a Coumarin-Appended 2,2′-Bipyridine† The Journal of Physical Chemistry C, 2009, 113, 11674 |
1516438 | CIF | C13 H13 N3 O3 S | C 1 2/c 1 | 29.3274; 6.97802; 16.074 90; 121.103; 90 | 2816.61 | Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725 |
1516439 | CIF | C14 H13 N3 O3 S | C 1 2/c 1 | 29.7095; 7.07728; 16.852 90; 122.519; 90 | 2987.79 | Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725 |
1516440 | CIF | C16 H18 N3 O3 S | C 1 2/c 1 | 30.9476; 6.97466; 17.6192 90; 121.616; 90 | 3238.63 | Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725 |
1516441 | CIF | C15 H13 N3 O3 S | P -1 | 7.0287; 8.6449; 13.1179 93.794; 99.168; 100.054 | 771.18 | Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725 |
1516442 | CIF | C48 H39 B Cu F4 N3 O P2 S | P -1 | 12.3282; 12.4191; 17.625 70.167; 78; 68.64 | 2353.1 | Zhang, Liming; Li, Bin; Su, Zhongmin Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications The Journal of Physical Chemistry C, 2009, 113, 13968 |
1516443 | CIF | C48 H37 B Cu F4 N3 O P2 | P 1 21/n 1 | 11.5602; 15.13; 25.815 90; 96.195; 90 | 4488.8 | Zhang, Liming; Li, Bin; Su, Zhongmin Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications The Journal of Physical Chemistry C, 2009, 113, 13968 |
1516444 | CIF | C10 H38 Cl3 La O15 | P 21 21 21 | 10.7084; 15.3419; 15.984 90; 90; 90 | 2626 | Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Edelstein, Norman M. Optical Spectra and Crystal-Field Levels of [Cm(H2O)9]3+Ions withC3hSymmetry in Isotypic Rare-Earth Triflate and Ethyl Sulfate Salts The Journal of Physical Chemistry C, 2009, 113, 449 |
1516456 | CIF | Ca3 Cl2 O4 Si | P 1 21/c 1 | 5.912339; 10.201282; 10.988655 90; 90.3422; 90 | 662.752 | Kim, Tae-Gon; Kim, Taehyung; Kim, Jaegyeom; Kim, Seung-Joo; Im, Seoung-Jae Interplay between Crystal Structure and Photoluminescence Properties of β-Ca3SiO4Cl2:Eu2+ The Journal of Physical Chemistry C, 2014, 118, 12428 |
1516472 | CIF | C20 H14 O | P 1 21/c 1 | 5.584; 12.995; 19.423 90; 93.534; 90 | 1406.7 | Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.; Sahoo, Subash Chandra; Naumov, Panče; Havlas, Zdenĕk; Michl, Josef; Nozik, Arthur J.; Johnson, Justin C. Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran The Journal of Physical Chemistry C, 2014, 118, 12121 |
1516473 | CIF | C20 H14 O | P 1 2/c 1 | 12.998; 5.59; 20.271 90; 106.215; 90 | 1414.3 | Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.; Sahoo, Subash Chandra; Naumov, Panče; Havlas, Zdenĕk; Michl, Josef; Nozik, Arthur J.; Johnson, Justin C. Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran The Journal of Physical Chemistry C, 2014, 118, 12121 |
1516682 | CIF | C42 H28 | P -1 | 14.2395; 6.7738; 11.281 81.264; 100.378; 101.773 | 1040.3 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516683 | CIF | C42 H28 | P -1 | 6.6779; 7.9256; 11.3415 89.367; 104.46; 96.321 | 577.63 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516684 | CIF | C42 H28 | P -1 | 7.0883; 8.5994; 12.0059 93.486; 105.642; 95.977 | 697.86 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516685 | CIF | C42 H28 | P -1 | 6.635; 7.7995; 11.2182 88.437; 104.348; 96.316 | 559.02 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516686 | CIF | C42 H28 | P -1 | 6.8535; 8.2642; 11.6573 91.614; 104.921; 96.311 | 633.03 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516687 | CIF | C42 H28 | P -1 | 6.7392; 8.0591; 11.4641 90.271; 104.627; 96.329 | 598.44 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516688 | CIF | C42 H28 | P -1 | 7.0478; 8.5495; 11.9485 93.201; 105.501; 96.079 | 687.2 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516689 | CIF | C42 H28 | P -1 | 6.6162; 7.6757; 11.1002 87.399; 104.322; 96.289 | 542.81 | Bergantin, Stefano; Moret, Massimo; Buth, Gernot; Fabbiani, Francesca P. A. Pressure-Induced Conformational Change in Organic Semiconductors: Triggering a Reversible Phase Transition in Rubrene The Journal of Physical Chemistry C, 2014, 118, 13476 |
1516695 | CIF | C19 H23 Cl N2 O4 | P -1 | 7.662; 11.01; 11.473 90.434; 106.459; 103.436 | 900 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516696 | CIF | C26 H27 Cl N2 O6 | P -1 | 7.91; 11.892; 13.602 76.675; 77.828; 72.459 | 1173.3 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516697 | CIF | C23 H27 Cl N2 O4 | C 1 2/c 1 | 30.833; 7.2235; 22.094 90; 119.936; 90 | 4264.3 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516698 | CIF | C25 H30 Cl N3 O4 | P 1 21/n 1 | 8.0856; 12.518; 22.631 90; 95.377; 90 | 2280.5 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516699 | CIF | C23 H25 Cl N2 O4 | P 1 21/n 1 | 11.101; 16.452; 12.347 90; 108.375; 90 | 2140 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516700 | CIF | C28.5 H33 Cl2 N2 O4 S | P -1 | 9.77; 12.728; 13.24 99.575; 111.36; 105.87 | 1408.4 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516701 | CIF | C31.5 H29 Cl N2 O5.125 S | P -1 | 8.027; 11.283; 17.69 92.665; 102.552; 99.03 | 1539 | Bayliss, Sam L.; Cole, Jacqueline M.; Waddell, Paul G.; McKechnie, Scott; Liu, Xiaogang Predicting Solar-Cell Dyes for Cosensitization The Journal of Physical Chemistry C, 2014, 118, 14082 |
1516964 | CIF | Eu2 Mo3 O12 | C 1 2/c 1 | 7.55755; 11.47093; 11.51584 90; 109.278; 90 | 942.36 | Atuchin, V. V.; Aleksandrovsky, A. S.; Chimitova, O. D.; Gavrilova, T. A.; Krylov, A. S.; Molokeev, M. S.; Oreshonkov, A. S.; Bazarov, B. G.; Bazarova, J. G. Synthesis and Spectroscopic Properties of Monoclinic α-Eu2(MoO4)3 The Journal of Physical Chemistry C, 2014, 118, 15404 |
1517090 | CIF | C64 H8 F2 N4 S8 Si | P -1 | 9.2539; 14.9631; 22.219 81.005; 85.178; 88.053 | 3027.3 | Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors The Journal of Physical Chemistry C, 2014, 118, 15610 |
1517091 | CIF | C44 H46 N4 S6 Si | P 1 21/c 1 | 18.34; 7.326; 31.8 90; 103.18; 90 | 4160 | Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors The Journal of Physical Chemistry C, 2014, 118, 15610 |
1517092 | CIF | C42 H44 N6 S6 Si | P 1 21/n 1 | 18.817; 7.9805; 28.301 90; 107.018; 90 | 4063.8 | Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors The Journal of Physical Chemistry C, 2014, 118, 15610 |
1517093 | CIF | C64 H72 F2 N4 S8 Si | P -1 | 8.808; 16.279; 22.976 108.413; 100.019; 95.249 | 3040.1 | Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors The Journal of Physical Chemistry C, 2014, 118, 15610 |
1517094 | CIF | C42 H42 N6 S6 Si | P -1 | 10.4822; 13.6007; 16.4254 67.272; 88.286; 71.732 | 2039.9 | Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors The Journal of Physical Chemistry C, 2014, 118, 15610 |
1517095 | CIF | C64 H68 F2 N4 S8 Si | P -1 | 9.2916; 14.916; 22.551 80.585; 78.642; 87.741 | 3022.9 | Coughlin, Jessica E.; Zhugayevych, Andriy; Bakus, Ronald C.; van der Poll, Thomas S.; Welch, Gregory C.; Teat, Simon J.; Bazan, Guillermo C.; Tretiak, Sergei A Combined Experimental and Theoretical Study of Conformational Preferences of Molecular Semiconductors The Journal of Physical Chemistry C, 2014, 118, 15610 |
1517256 | CIF | C4 H6 B F4 Li N2 | P 1 21/c 1 | 8.257; 7.98; 15.947 90; 119.764; 90 | 912.1 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517257 | CIF | C6 H14 B F4 Li O2 | P 21 21 21 | 7.108; 9.283; 15.675 90; 90; 90 | 1034.3 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517258 | CIF | C24 H54 B3 F12 Li3 O9 | P 1 21/c 1 | 16.139; 27.437; 8.805 90; 97.894; 90 | 3862 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517259 | CIF | C4 H8 B F4 Li O | P 1 21/c 1 | 9.0057; 9.1739; 9.669 90; 110.862; 90 | 746.46 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517260 | CIF | C4 H8 B F4 Li O3 | P 21 21 21 | 5.173; 11.741; 13.35 90; 90; 90 | 810.8 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517261 | CIF | C4 H4 B F4 Li N2 | P 21 21 21 | 4.9525; 9.1; 15.704 90; 90; 90 | 707.7 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517262 | CIF | C9 H24 B F4 N3 | P 1 21/c 1 | 9.8068; 11.6816; 14.8941 90; 127.942; 90 | 1345.61 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517263 | CIF | C18 H50 B2 F8 N6 | P 1 21/c 1 | 16.092; 12.116; 14.483 90; 102.202; 90 | 2760 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517264 | CIF | C24 H17 B F4 N4 | P -1 | 7.276; 12.981; 21.737 76.968; 84.43; 82.375 | 1977.7 | Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes The Journal of Physical Chemistry C, 2014, 118, 18377 |
1517427 | CIF | C12 H28 I Li O6 | P c c n | 10.1824; 12.0243; 14.6817 90; 90; 90 | 1797.6 | Vanhoutte, Gijs; Brooks, Neil R.; Schaltin, Stijn; Opperdoes, Bastiaan; Van Meervelt, Luc; Locquet, Jean-Pierre; Vereecken, Philippe M.; Fransaer, Jan; Binnemans, Koen Electrodeposition of Lithium from Lithium-Containing Solvate Ionic Liquids The Journal of Physical Chemistry C, 2014, 118, 20152 |
1517955 | CIF | C10 H10 N8 O7 | C 1 2/c 1 | 10.0162; 14.452; 19.359 90; 97.485; 90 | 2778.4 | Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity The Journal of Physical Chemistry C, 2014, 141007164223007 |
1517956 | CIF | C9 H11 N7 O8 | P -1 | 9.1481; 11.429; 14.247 86.182; 86.184; 68.419 | 1380.7 | Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity The Journal of Physical Chemistry C, 2014, 141007164223007 |
1517957 | CIF | C9 H8 N6 O6 | C 1 2/c 1 | 18.581; 4.9297; 26.8 90; 101.387; 90 | 2406.5 | Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity The Journal of Physical Chemistry C, 2014, 141007164223007 |
1517958 | CIF | C8 H12 N6 O7 | P 1 21 1 | 9.7042; 4.9681; 13.5275 90; 93.494; 90 | 650.97 | Liu, Xiangyu; Su, Zhiyong; Ji, Wenxin; Chen, Sanping; Wei, Qing; Xie, Gang; Yang, Xuwu; Gao, Shengli Structure, Physicochemical Properties, and Density Functional Theory Calculation of High-Energy-Density Materials Constructed with Intermolecular Interaction: Nitro Group Charge Determines Sensitivity The Journal of Physical Chemistry C, 2014, 141007164223007 |
1517995 | CIF | C52 H28 N4 | P -1 | 7.1812; 11.08; 11.904 103.81; 102.91; 101.32 | 864.8 | Vermeulen, D.; Zhu, L. Y.; Goetz, K. P.; Hu, Peng; Jiang, Hui; Day, C. S.; Jurchescu, O. D.; Coropceanu, V.; Kloc, C.; McNeil, L. E. Charge Transport Properties of Perylene‒TCNQ Crystals: The Effect of Stoichiometry The Journal of Physical Chemistry C, 2014, 118, 24688 |
1517996 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.5699; 10.4295; 6.4616 90; 90; 90 | 1116.67 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1517997 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.569; 10.3439; 6.4085 90; 90; 90 | 1098.3 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1517998 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.4739; 10.2024; 6.2972 90; 90; 90 | 1058.39 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1517999 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.3688; 10.0853; 6.1843 90; 90; 90 | 1020.9 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518000 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.2653; 10.0195; 6.0897 90; 90; 90 | 992.44 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518001 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.1082; 9.9613; 5.9848 90; 90; 90 | 960.31 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518002 | CIF | C8 H14 N4 Ni O4 | I b a m | 16.038; 9.939; 5.9397 90; 90; 90 | 946.8 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518003 | CIF | C8 H14 N4 Ni O4 | I b a m | 15.9507; 9.9145; 5.8872 90; 90; 90 | 931.02 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518004 | CIF | C8 H14 N4 Ni O4 | I b a m | 15.8529; 9.8959; 5.8379 90; 90; 90 | 915.84 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518005 | CIF | C8 H14 N4 Ni O4 | I b a m | 15.7412; 9.8887; 5.7878 90; 90; 90 | 900.93 | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies The Journal of Physical Chemistry C, 2014, 118, 24705 |
1518150 | CIF | C26 H39 Cl2 N2 O4 Rh | P 1 21/n 1 | 11.748; 15.892; 16.271 90; 108.86; 90 | 2874.7 | Kim, Soojin; Lee, Ga Ye; Baeg, Jin-Ook; Kim, Youngmee; Kim, Sung-Jin; Kim, Jinheung Visible-Light-Driven Photoproduction of Hydrogen Using Rhodium Catalysts and Platinum Nanoparticles with Formate The Journal of Physical Chemistry C, 2014, 118, 25844 |
1518222 | CIF | C9 H12 Cl Li O13 | P 1 21/c 1 | 14.7963; 13.6149; 18.8067 90; 129.438; 90 | 2926 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518223 | CIF | C6 H8 Cl Li O10 | P 1 21/c 1 | 26.5286; 5.1986; 26.4558 90; 117.866; 90 | 3225.49 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518224 | CIF | C6 H8 B F4 Li O6 | P n a 21 | 31.63; 5.1779; 12.978 90; 90; 90 | 2125.5 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518225 | CIF | C4 H4 F3 Li O6 S | P 1 21/c 1 | 5.156; 10.4912; 16.5902 90; 107.515; 90 | 855.8 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518226 | CIF | C16 H24 F6 Li O8 P | P 21 21 21 | 10.74; 11.985; 16.694 90; 90; 90 | 2148.8 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518227 | CIF | C4 H6 Cl Li O6 | P -1 | 5.0108; 7.9888; 9.7127 88.487; 82.677; 73.945 | 370.57 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518228 | CIF | C5 H8 Cl Li O6 | P -1 | 5.0857; 8.0239; 11.052 88.389; 85.458; 73.193 | 430.37 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518229 | CIF | C4 H6 B F4 Li O2 | P 21 21 21 | 5.0642; 9.9457; 14.6921 90; 90; 90 | 740 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518230 | CIF | C15 H18 F9 Li3 O15 S3 | P 1 21/c 1 | 10.4705; 17.4648; 19.037 90; 122.592; 90 | 2933 | Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters The Journal of Physical Chemistry C, 2014, 118, 25884 |
1518237 | CIF | C22 H10 O S3 | P 1 21/c 1 | 9.0844; 7.373; 23.5319 90; 90.457; 90 | 1576.1 | Kintigh, Jeremy T.; Hodgson, Jennifer L.; Singh, Anup; Pramanik, Chandrani; Larson, Amanda M.; Zhou, Lei; Briggs, Jonathan B.; Noll, Bruce C.; Kheirkhahi, Erfan; Pohl, Karsten; McGruer, Nicol E.; Miller, Glen P. A Robust, High-Temperature Organic Semiconductor The Journal of Physical Chemistry C, 2014, 118, 26955 |
1518454 | CIF | C11 H18 N8 O3 | P m n 21 | 9.5289; 9.1191; 8.667 90; 90; 90 | 753.12 | Gryl, Marlena; Cenedese, Simone; Stadnicka, Katarzyna Crystal Engineering and Charge Density Study of Pharmaceutical Nonlinear Optical Material: Melamine-Barbital Co-Crystal The Journal of Physical Chemistry C, 2015, 119, 590 |
1518776 | CIF | C12 H18 F12 N3 Na O9 S4 | P 1 21/n 1 | 11.703; 10.8732; 20.5169 90; 92.636; 90 | 2608 | Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes The Journal of Physical Chemistry C, 2015, 119, 5878 |
1518777 | CIF | C28 H36 F36 Mg2 N8 O26 S12 | P 1 | 11.4359; 12.0538; 13.8956 69.152; 82.96; 81.651 | 1765.86 | Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes The Journal of Physical Chemistry C, 2015, 119, 5878 |
1518834 | CIF | B10 D10 Li2 | P 64 2 2 | 7.01187; 7.01187; 14.8008 90; 90; 120 | 630.21 | Wu, Hui; Tang, Wan Si; Stavila, Vitalie; Zhou, Wei; Rush, John J.; Udovic, Terrence J. Structural Behavior of Li2B10H10 The Journal of Physical Chemistry C, 2015, 150312100216002 |
1518890 | CIF | Mo7.62 O29.23 V2.38 | P b a 2 | 20.9864; 26.4023; 3.98755 90; 90; 90 | 2209.46 | Ishikawa, Satoshi; Kobayashi, Daichi; Konya, Takeshi; Ohmura, Shunpei; Murayama, Toru; Yasuda, Nobuhiro; Sadakane, Masahiro; Ueda, Wataru Redox Treatment of Orthorhombic Mo29V11O112and Relationships between Crystal Structure, Microporosity and Catalytic Performance for Selective Oxidation of Ethane The Journal of Physical Chemistry C, 2015, 119, 7195 |
1519661 | CIF | Li0.9 S2 Ti | R -3 m :H | 3.53131; 3.53131; 18.609 90; 90; 120 | 200.967 | Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study The Journal of Physical Chemistry C, 2015, 119, 11370 |
1519662 | CIF | Li0.7 S2 Ti | R -3 m :H | 3.49902; 3.49902; 18.6498 90; 90; 120 | 197.741 | Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study The Journal of Physical Chemistry C, 2015, 119, 11370 |
1519663 | CIF | Li0.9 S2 Ti | R -3 m :H | 3.52138; 3.52138; 18.5588 90; 90; 120 | 199.3 | Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study The Journal of Physical Chemistry C, 2015, 119, 11370 |
1519664 | CIF | Li0.7 S2 Ti | R -3 m :H | 3.49658; 3.49658; 18.6529 90; 90; 120 | 197.499 | Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study The Journal of Physical Chemistry C, 2015, 119, 11370 |
1520063 | CIF | C4 H2 N10 O6 | P 1 21/c 1 | 5.6265; 9.1195; 9.5532 90; 97.913; 90 | 485.52 | Zhang, Jiaheng; Shreeve, Jean’ne M. Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties The Journal of Physical Chemistry C, 2015, 119, 12887 |
1520064 | CIF | C4 H2 N10 O7 | P 1 n 1 | 7.8; 8.2; 8.6 90; 115.4; 90 | 496.9 | Zhang, Jiaheng; Shreeve, Jean’ne M. Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties The Journal of Physical Chemistry C, 2015, 119, 12887 |
1520296 | CIF | B0.6 La10 N1.4 O24.6 Si5.4 | P 63/m | 9.66584; 9.66584; 7.19 90; 90; 120 | 581.75 | Xia, Zhiguo; Molokeev, Maxim S.; Im, Won Bin; Unithrattil, Sanjith; Liu, Quanlin Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1‒x)(O13‒xNx):Ce3+Solid Solution Phosphors The Journal of Physical Chemistry C, 2015, 119, 9488 |
1529074 | CIF | C18 H18 F2 N O4 V | P 1 21/n 1 | 17.7691; 7.9596; 25.4492 90; 107.241; 90 | 3437.67 | Choing, Stephanie N.; Francis, Aaron J.; Clendenning, Graham; Schuurman, Michael S.; Sommer, Roger D.; Tamblyn, Isaac; Weare, Walter W.; Cuk, Tanja Long-Lived LMCT in a d0Vanadium(V) Complex by Internal Conversion to a State of 3dxyCharacter The Journal of Physical Chemistry C, 2015, 119, 17029 |
1529245 | CIF HKL | Cs F3 Mn Mo O3 | F d -3 m :2 | 10.59141; 10.59141; 10.59141 90; 90; 90 | 1188.12 | V.V. Atuchin; M.S. Molokeev; G.Yu. Yurkin; T.A. Gavrilova; V.G. Kesler; N.M. Laptash; I.N. Flerov; G.S. Patrin Synthesis, Structural, Magnetic, and Electronic Properties of Cubic CsMnMoO3F3 Oxyfluoride The Journal of Physical Chemistry C, 2012, 116, 10162 |
1529460 | CIF | Ba3 O8 P2 | R -3 m :H | 5.6019; 5.6019; 20.9878 90; 90; 120 | 570.39 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529461 | CIF | Ba0.81 O4 P Sr0.69 | R -3 m :H | 5.54011; 5.54011; 20.6573 90; 90; 120 | 549.09 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529462 | CIF | Ba1.16 O12 P3 Sr3.34 | R -3 m :H | 5.46471; 5.46471; 20.22347 90; 90; 120 | 523.023 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529463 | CIF HKL | O8 P2 Sr3 | R -3 m :H | 5.387993; 5.387993; 19.78604 90; 90; 120 | 497.443 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529464 | CIF HKL | Ca0.5 O4 P Sr1.05 | R 3 c :H | 10.66855; 10.66855; 38.9832 90; 90; 120 | 3842.54 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529465 | CIF HKL | Ca O4 P Sr0.43 | R 3 c :H | 10.56198; 10.56198; 38.0712 90; 90; 120 | 3678.1 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529466 | CIF HKL | Ca11 O28 P7 | R 3 c :H | 10.4414; 10.4414; 37.4208 90; 90; 120 | 3533.14 | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C, 2015, 119, 2038-2045 |
1529489 | CIF HKL | B La5 O13 Si2 | P 63/m | 9.55299; 9.55299; 7.21426 90; 90; 120 | 570.17 | Zhiguo Xia; Maxim S. Molokeev; Won Bin Im; Sanjith Unithrattil; Quanlin Liu Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1-x)(O13-xNx):Ce3+ Solid Solution Phosphors The Journal of Physical Chemistry C, 2015, 119, 9488-9495 |
1529490 | CIF HKL | La5 N O12 Si3 | P 63/m | 9.71207; 9.71207; 7.18946 90; 90; 120 | 587.29 | Zhiguo Xia; Maxim S. Molokeev; Won Bin Im; Sanjith Unithrattil; Quanlin Liu Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1-x)(O13-xNx):Ce3+ Solid Solution Phosphors The Journal of Physical Chemistry C, 2015, 119, 9488-9495 |
1542266 | CIF | C14 H22 F12 Mg N2 O13 S4 | P 1 21/n 1 | 10.1949; 8.4085; 35.446 90; 96.69; 90 | 3017.9 | Terada, Shoshi; Mandai, Toshihiko; Suzuki, Soma; Tsuzuki, Seiji; Watanabe, Katsuya; Kamei, Yutaro; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Thermal and Electrochemical Stability of Tetraglyme‒Magnesium Bis(trifluoromethanesulfonyl)amide Complex: Electric Field Effect of Divalent Cation on Solvate Stability The Journal of Physical Chemistry C, 2016, 120, 1353 |
1542288 | CIF | Fe2 O9 Se3 | P 63/m | 7.872; 7.872; 7.3258 90; 90; 120 | 393.15 | Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids The Journal of Physical Chemistry C, 2016, 120, 1650 |
1542289 | CIF | Fe2 H3 O9 P3 | P 63/m | 8.0195; 8.0195; 7.37 90; 90; 120 | 410.481 | Kovrugin, Vadim M.; Gordon, Elijah E.; Kasapbasi, Esra E.; Whangbo, Myung-Hwan; Colmont, Marie; Siidra, Oleg I.; Colis, Silviu; Krivovichev, Sergey V.; Mentré, Olivier Bonding Scheme, Hydride Character, and Magnetic Paths of (HPO3)2‒Versus (SeO3)2‒Building Units in Solids The Journal of Physical Chemistry C, 2016, 120, 1650 |
1542290 | CIF | C15 H9 Cl3 N3 O3 Re | P 1 21/n 1 | 10.7568; 11.9888; 14.3677 90; 108.538; 90 | 1756.7 | Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P. Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces The Journal of Physical Chemistry C, 2016, 120, 1657 |
1542291 | CIF | C16 H8 Cl3 N4 O3 Re | P 1 21/n 1 | 8.3755; 11.7615; 19.164 90; 100.728; 90 | 1854.8 | Clark, Melissa L.; Rudshteyn, Benjamin; Ge, Aimin; Chabolla, Steven A.; Machan, Charles W.; Psciuk, Brian T.; Song, Jia; Canzi, Gabriele; Lian, Tianquan; Batista, Victor S.; Kubiak, Clifford P. Orientation of Cyano-Substituted Bipyridine Re(I)fac-Tricarbonyl Electrocatalysts Bound to Conducting Au Surfaces The Journal of Physical Chemistry C, 2016, 120, 1657 |
1542417 | CIF | C38 H52.2 Cu F6 N4 O6.1 S2 | P 1 21/c 1 | 19.9909; 37.6313; 11.8656 90; 93.9256; 90 | 8905.4 | Hoffeditz, William L.; Katz, Michael J.; Deria, Pravas; Cutsail III, George E.; Pellin, Michael J.; Farha, Omar K.; Hupp, Joseph T. One Electron Changes Everything. A Multispecies Copper Redox Shuttle for Dye-Sensitized Solar Cells The Journal of Physical Chemistry C, 2016, 120, 3731 |
1543239 | CIF | C35 H31 F6 Ir N4 O3 P | P -1 | 9.7156; 12.4425; 14.4092 99.2448; 98.284; 98.193 | 1676.66 | Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands The Journal of Physical Chemistry C, 2016, 120, 7284 |
1543240 | CIF | C36 H24 F10 Ir N4 O4 P | P 1 21/n 1 | 9.5479; 30.4524; 12.3038 90; 95.045; 90 | 3563.6 | Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands The Journal of Physical Chemistry C, 2016, 120, 7284 |
1543241 | CIF | C32 H18 F12 Ir N4 P | P 1 21/c 1 | 9.9615; 24.4176; 14.2131 90; 97.634; 90 | 3426.5 | Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands The Journal of Physical Chemistry C, 2016, 120, 7284 |
1543242 | CIF | C35 H24 Cl2 F6 Ir N6 P | P 1 21/n 1 | 12.246; 13.3943; 22.4079 90; 105.858; 90 | 3535.6 | Skórka, Łukasz; Filapek, Michał; Zur, Lidia; Małecki, Jan Grzegorz; Pisarski, Wojciech; Olejnik, Marian; Danikiewicz, Witold; Krompiec, Stanisław Highly Phosphorescent Cyclometalated Iridium(III) Complexes for Optoelectronic Applications: Fine Tuning of the Emission Wavelength through Ancillary Ligands The Journal of Physical Chemistry C, 2016, 120, 7284 |
1543373 | CIF | C117 H86 Au4 Cl2 O4 P4 | C 1 2/c 1 | 28.678; 9.1487; 44.801 90; 98.503; 90 | 11625 | Kondrasenko, Ilya; Chung, Kun-you; Chen, Yi-Ting; Koivistoinen, Juha; Grachova, Elena V.; Karttunen, Antti J.; Chou, Pi-Tai; Koshevoy, Igor O. Harnessing Fluorescence versus Phosphorescence Ratio via Ancillary Ligand Fine-Tuned MLCT Contribution The Journal of Physical Chemistry C, 2016, 120, 12196 |
1543392 | CIF | C98 H95 Mo4 N13 O15 | P 1 21/c 1 | 14.5322; 18.0326; 19.3503 90; 94.619; 90 | 5054.3 | Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y. Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems The Journal of Physical Chemistry C, 2016, 120, 12411 |
1543393 | CIF | C98 H96 Mo4 N14 O14 | P 1 21/c 1 | 14.2854; 17.7654; 19.3037 90; 93.602; 90 | 4889.33 | Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y. Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems The Journal of Physical Chemistry C, 2016, 120, 12411 |
1543394 | CIF | C99.6 H100.2 Cl3.2 Mo4 N15 O13 | P 1 21/c 1 | 14.4182; 17.6154; 19.5327 90; 94.294; 90 | 4947 | Yu, Wei Yong; Meng, Miao; Lei, Hao; He, Xue Dan; Liu, Chun Y. Optical Determination of Electron Transfer Dynamics and Kinetics for Asymmetrical [Mo2]‒ph‒[Mo2] Systems The Journal of Physical Chemistry C, 2016, 120, 12411 |
1543471 | CIF | C24 H8.75 K4 O9.125 | P 1 21/c 1 | 14.7; 14.543; 22.914 90; 100.884; 90 | 4810 | Sikdar, Nivedita; Dutta, Dipak; Haldar, Ritesh; Ray, Turjya; Hazra, Arpan; Bhattacharyya, Aninda Jiban; Maji, Tapas Kumar Coordination-Driven Fluorescent J-Aggregates in a Perylenetetracarboxylate-Based MOF: Permanent Porosity and Proton Conductivity The Journal of Physical Chemistry C, 2016, 120, 13622 |
1544223 | CIF | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.68 90; 90; 90 | 146.2 | Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej H-Bond Breaking in High-Pressure Urea The Journal of Physical Chemistry C, 2009, 113, 15761 |
1544224 | CIF | C H4 N2 O | P 21 21 21 | 3.6235; 8.272; 8.844 90; 90; 90 | 265.09 | Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej H-Bond Breaking in High-Pressure Urea The Journal of Physical Chemistry C, 2009, 113, 15761 |
1544225 | CIF | C H4 N2 O | P 21 21 21 | 3.539; 8.234; 8.79 90; 90; 90 | 256.14 | Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej H-Bond Breaking in High-Pressure Urea The Journal of Physical Chemistry C, 2009, 113, 15761 |
1544226 | CIF | C H4 N2 O | P 21 21 2 | 3.414; 7.36; 4.606 90; 90; 90 | 115.7 | Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej H-Bond Breaking in High-Pressure Urea The Journal of Physical Chemistry C, 2009, 113, 15761 |
1544298 | CIF | C38 H26 N2 S | I 1 2/a 1 | 17.9549; 5.7818; 55.027 90; 91.498; 90 | 5710.5 | Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh Multi-Stimuli Responsive Donor‒Acceptor Tetraphenylethylene Substituted Benzothiadiazoles The Journal of Physical Chemistry C, 2016, 120, 24030 |
1544299 | CIF | C39 H28 N2 S | P -1 | 5.9323; 9.0092; 28.6842 91.068; 90.99; 101.891 | 1499.53 | Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh Multi-Stimuli Responsive Donor‒Acceptor Tetraphenylethylene Substituted Benzothiadiazoles The Journal of Physical Chemistry C, 2016, 120, 24030 |
1544750 | CIF | C40 H32 Bi2 Cl12 N8 | P 1 21/n 1 | 18.6824; 9.7571; 27.8985 90; 93.921; 90 | 5073.6 | Wagner, Bettina; Dehnhardt, Natalie; Schmid, Martin; Klein, Benedikt P.; Ruppenthal, Lukas; Müller, Philipp; Zugermeier, Malte; Gottfried, J. Michael; Lippert, Sina; Halbich, Marc-Uwe; Rahimi-Iman, Arash; Heine, Johanna Color Change Effect in an Organic‒Inorganic Hybrid Material Based on a Porphyrin Diacid The Journal of Physical Chemistry C, 2016 |
1545186 | CIF | Al56 H600 Na56 O684 Si136 | F d -3 m :2 | 24.664; 24.664; 24.664 90; 90; 90 | 15003.4 | Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755 |
1545415 | CIF | Al56 Na56 O384 Si136 | F d -3 m :2 | 24.7765; 24.7765; 24.7765 90; 90; 90 | 15209.7 | Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755 |
1545416 | CIF | Al56 H600 Na56 O684 Si136 | F d -3 m :2 | 24.6654; 24.6654; 24.6654 90; 90; 90 | 15006 | Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755 |
1545417 | CIF | Al56 H300 Na56 O534 Si136 | F d -3 m :2 | 24.6792; 24.6792; 24.6792 90; 90; 90 | 15031.2 | Perez, Carlos A. C.; de Resende, Neuman S.; Salim, Vera M. M.; Schmal, Martin Water Interaction in Faujasite Probed by in Situ X-ray Powder Diffraction The Journal of Physical Chemistry C, 2017, 121, 2755 |
1545418 | CIF | Co F Li2 O4 P | P n m a | 10.4528; 6.38673; 10.87638 90; 90; 90 | 726.1 | Fedotov, Stanislav S.; Kabanov, Artem A.; Kabanova, Natalia A.; Blatov, Vladislav A.; Zhugayevych, Andriy; Abakumov, Artem M.; Khasanova, Nellie R.; Antipov, Evgeny V. Crystal Structure and Li-Ion Transport in Li2CoPO4F High-Voltage Cathode Material for Li-Ion Batteries The Journal of Physical Chemistry C, 2017, 121, 3194 |
1545588 | CIF | C26 H12 N4 S2 | P -1 | 7.1933; 8.0044; 9.0183 81.181; 89.31; 87.721 | 512.7 | Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017 |
1545589 | CIF | C26 H10 F2 N4 S2 | P -1 | 7.1608; 7.9489; 9.1084 80.928; 89.567; 87.878 | 511.62 | Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017 |
1545590 | CIF | C26 H10 F2 N4 Se2 | P -1 | 7.1911; 8.039; 9.156 80.96; 89.226; 88.727 | 522.6 | Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017 |
1545591 | CIF | C26 H8 F4 N4 S2 | P 1 21/c 1 | 7.9628; 7.062; 19.111 90; 99.328; 90 | 1060.5 | Sato, Ryonosuke; Dogishi, Masaki; Higashino, Toshiki; Kadoya, Tomofumi; Kawamoto, Tadashi; Mori, Takehiko Charge-Transfer Complexes of Benzothienobenzothiophene with Tetracyanoquinodimethane and the n-Channel Organic Field-Effect Transistors The Journal of Physical Chemistry C, 2017 |
1545776 | CIF | C64 H82 | I 1 2/a 1 | 16.3409; 9.0662; 35.1804 90; 101.985; 90 | 5098.4 | Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202 |
1545794 | CIF | C68 H78 N2 O2 S4 | P -1 | 6.024; 12.4238; 20.231 78.658; 86.669; 78.084 | 1452.31 | Ganguly, Anindya; Zhu, Jianfeng; Kelly, Timothy L. Effect of Cross-Conjugation on Derivatives of Benzoisoindigo, an Isoindigo Analogue with an Extended π-System The Journal of Physical Chemistry C, 2017, 121, 9110 |
1545874 | CIF | C6 H11 F4 Li N4 O8 S4 | P 1 21/a 1 | 8.9922; 9.6614; 10.2093 90; 105.422; 90 | 855.02 | Matsumoto, Kazuhiko; Nishiwaki, Erisa; Hosokawa, Takafumi; Tawa, Shinya; Nohira, Toshiyuki; Hagiwara, Rika Thermal, Physical, and Electrochemical Properties of Li[N(SO2F)2]-[1-Ethyl-3-methylimidazolium][N(SO2F)2] Ionic Liquid Electrolytes for Li Secondary Batteries Operated at Room and Intermediate Temperatures The Journal of Physical Chemistry C, 2017, 121, 9209 |
1545926 | CIF | C32 H42 | P 1 21/n 1 | 7.75029; 34.4156; 9.25694 90; 94.6142; 90 | 2461.11 | Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202 |
1546093 | CIF | C15 H10 O2 | P c a 21 | 24.2286; 5.6429; 7.6125 90; 90; 90 | 1040.78 | Jhun, Byung Hak; Yi, Seung Yeon; Jeong, Donghyun; Cho, Jaeheung; Park, Soo Young; You, Youngmin Aggregation of an n‒π* Molecule Induces Fluorescence Turn-on The Journal of Physical Chemistry C, 2017, 121, 11907 |
1546144 | CIF | C20 H20 Br2 Mn N3 O5 | P -1 | 8.794; 10.086; 12.604 76.44; 78.13; 79.99 | 1054.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546145 | CIF | C20 H22 Mn N3 O5 | P 1 21/c 1 | 8.7051; 15.844; 14.3082 90; 111.219; 90 | 1839.6 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546146 | CIF | C21 H20 Cl2 Mn N3 O2 S | P 1 21/n 1 | 7.8995; 19.6273; 14.075 90; 103.223; 90 | 2124.4 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546147 | CIF | C22 H28 Cl Mn N2 O9 | P 1 21/n 1 | 7.3227; 16.417; 20.421 90; 107.009; 90 | 2347.6 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546148 | CIF | C22 H26 Mn N2 O6 Re | P b c a | 14.2637; 17.4799; 17.7014 90; 90; 90 | 4413.5 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546149 | CIF | C21 H20 Br2 Mn N3 O2 S | P 1 21/n 1 | 8.428; 14.1; 19.038 90; 97.917; 90 | 2241 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546150 | CIF | C22 H28 F6 Mn N2 O5 P | P 1 21/c 1 | 7.3187; 20.537; 16.1889 90; 95.132; 90 | 2423.5 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546151 | CIF | C20 H20 Br2 Mn N5 O2 | P -1 | 8.1; 11.44; 12.45 71.154; 73.375; 86.565 | 1045.5 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546152 | CIF | C22 H26 Mn N3 O7 | P 1 21/c 1 | 9.223; 13.875; 16.951 90; 101.021; 90 | 2129.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546153 | CIF | C22 H28 Cl Mn N2 O7 | P 1 21/c 1 | 7.3962; 15.437; 19.592 90; 90; 90 | 2236.9 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546154 | CIF | C23 H26 Mn N3 O2 S | P b c a | 15.9799; 15.253; 17.7327 90; 90; 90 | 4322.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546155 | CIF | C20 H20 Cl2 Mn N5 O2 | P -1 | 8.08; 11.412; 12.082 71.822; 73.52; 86.773 | 1014.4 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546156 | CIF | C23 H28 F3 Mn N2 O8 S | P 1 21/c 1 | 7.416; 17.927; 18.623 90; 93.457; 90 | 2471 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546157 | CIF | C22 H26 Mn N2 O8 Re | P b c a | 14.7377; 16.7073; 18.4223 90; 90; 90 | 4536.1 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546158 | CIF | C23 H26 Mn N3 O4 S | P 1 21/n 1 | 8.7807; 14.932; 17.271 90; 102.122; 90 | 2214 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546159 | CIF | C20 H22 Cl3 Mn N2 O7 | P 1 21/c 1 | 7.324; 15.433; 19.273 90; 90.0406; 90 | 2178.5 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546160 | CIF | C20 H20 Cl2 Mn N2 O6 Re | P 1 21/c 1 | 8.741; 18.116; 13.841 90; 100.912; 90 | 2152 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546161 | CIF | C44 H52 Mn2 N10 O8 | P 1 21/n 1 | 16.719; 14.5578; 17.9507 90; 104.338; 90 | 4233 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546162 | CIF | C22 H26 Mn N3 O5 | P -1 | 8.813; 14.3852; 16.9362 81.336; 75.607; 84.498 | 2052.16 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546163 | CIF | C20 H20 Br2 Mn N2 O6 Re | P 1 21/a 1 | 13.849; 18.445; 8.901 90; 100.56; 90 | 2235.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546361 | CIF | C168 H202 Ag24 P2 Pd S18 | P -1 | 19.5843; 20.1047; 31.3508 84.483; 72.593; 63.99 | 10576.8 | Liu, Xu; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Li, Lingling; Bao, Xiaoli; Yang, Jinlong; Wu, Zhikun Crystal and Solution Photoluminescence of MAg24(SR)18 (M = Ag/Pd/Pt/Au) Nanoclusters and Some Implications for the Photoluminescence Mechanisms The Journal of Physical Chemistry C, 2017, 121, 13848 |
1546383 | CIF | Fe2 O3 | R -3 c :H | 5.03; 5.03; 13.75 90; 90; 120 | 301.279 | El Mendili, Yassine; Bardeau, Jean-François; Randrianantoandro, Nirina; Grasset, Fabien; Greneche, Jean-Marc Insights into the Mechanism Related to the Phase Transition from α-Fe2O3 to γ-Fe2O3 Nanoparticles Induced by Thermal Treatment and Laser Irradiation The Journal of Physical Chemistry C, 2012, 116, 23785-23792 |
1546404 | CIF | C45.5 H38.5 Cl1.5 | P 1 21/c 1 | 19.532; 22.819; 16.8357 90; 113.707; 90 | 6870.5 | Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803 |
1546405 | CIF | C45 H38 | P 1 21/n 1 | 8.4658; 16.207; 23.382 90; 93.382; 90 | 3202.5 | Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803 |
1546406 | CIF | C45 H38 | P b c n | 8.6787; 23.1736; 16.1895 90; 90; 90 | 3256 | Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803 |
1546538 | CIF | C22 H28 O4 | C 1 2/c 1 | 28.9533; 12.1295; 24.9285 90; 113.233; 90 | 8044.7 | Ivanov, Maxim V.; Wadumethrige, Shriya H.; Wang, Denan; Rathore, Rajendra Through-Space or Through-Bond? The Important Role of Cofaciality in Orbital Reordering and Its Implications for Hole (De)stabilization in Polychromophoric Assemblies The Journal of Physical Chemistry C, 2017, 121, 15639 |
1546983 | CIF | C33 H25 Cl N2 O4 | P 1 21/c 1 | 8.906; 19.873; 15.385 90; 89.763; 90 | 2723 | Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles The Journal of Physical Chemistry C, 2017, 121, 15049 |
1546984 | CIF | C33 H25 B F4 N2 O2 | P -1 | 9.469; 10.302; 14.831 100.015; 93.889; 98.216 | 1403.7 | Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles The Journal of Physical Chemistry C, 2017, 121, 15049 |
1546985 | CIF | C35 H29 Cl N2 O6 | P 1 21/c 1 | 15.576; 13.62; 30.334 90; 92.976; 90 | 6427 | Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles The Journal of Physical Chemistry C, 2017, 121, 15049 |
1546986 | CIF | C47 H42 O0.5 | P 1 21/c 1 | 19.4248; 22.9964; 16.8921 90; 112.874; 90 | 6952.3 | Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors The Journal of Physical Chemistry C, 2017, 121, 14803 |
1547193 | CIF | C26 H20 | P 1 21 1 | 9.78469; 9.17234; 10.79906 90; 108.096; 90 | 921.262 | Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy The Journal of Physical Chemistry C, 2017, 121, 20947 |
1547194 | CIF | C34 H20 | I 1 2 1 | 11.177; 8.834; 12.887 90; 93.357; 90 | 1270.2 | Li, Dan; Hu, Rongrong; Guo, Dong; Zang, Qiguang; Li, Jianhui; Wang, Yuekui; Zheng, Yan-Song; Tang, Ben Zhong; Zhang, Hui Diagnostic Absolute Configuration Determination of Tetraphenylethene Core-Based Chiral Aggregation-Induced Emission Compounds: Particular Fingerprint Bands in Comprehensive Chiroptical Spectroscopy The Journal of Physical Chemistry C, 2017, 121, 20947 |
1547218 | CIF | C6 H25 I5 N4 O Pb | P -1 | 10.1714; 11.335; 12.394 111.18; 101.11; 109.8 | 1170 | Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B. Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry The Journal of Physical Chemistry C, 2017, 121, 20739 |
1547219 | CIF | C8 H26 I8 N4 O2 Pb3 | P n n m | 17.165; 21.955; 4.5549 90; 90; 90 | 1716.5 | Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B. Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry The Journal of Physical Chemistry C, 2017, 121, 20739 |
1547220 | CIF | C4 H13 I3 N2 O Pb | P 1 21/c 1 | 4.5647; 25.446; 12.119 90; 96.75; 90 | 1397.9 | Petrov, Andrey A.; Sokolova, Iuliia P.; Belich, Nikolai A.; Peters, Georgy S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Grätzel, Michael; Goodilin, Eugene A.; Tarasov, Alexey B. Crystal Structure of DMF-Intermediate Phases Uncovers the Link Between CH3NH3PbI3 Morphology and Precursor Stoichiometry The Journal of Physical Chemistry C, 2017, 121, 20739 |
1547280 | CIF | C13 H9 Cl2 N O | P 1 21/c 1 | 7.9855; 9.6318; 16.342 90; 96.36; 90 | 1249.2 | Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio The Journal of Physical Chemistry C, 2017, 121, 21610 |
1547281 | CIF | C13 H10 Cl N O | P 1 21/n 1 | 4.7737; 9.4733; 24.6076 90; 97.36; 90 | 1103.65 | Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio The Journal of Physical Chemistry C, 2017, 121, 21610 |
1547282 | CIF | C13 H11 N O | P 1 21/c 1 | 10.1846; 10.9622; 8.9314 90; 99.716; 90 | 982.85 | Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off‒On” Contrast Ratio The Journal of Physical Chemistry C, 2017, 121, 21610 |
1547283 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6343; 11.2778; 15.9493 90; 90; 90 | 1013.46 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547284 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6351; 11.3134; 15.9647 90; 90; 90 | 1017.78 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547285 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6443; 11.3472; 15.9872 90; 90; 90 | 1023.93 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547286 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6581; 11.3735; 16.0267 90; 90; 90 | 1031.36 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547287 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6848; 11.3764; 16.09 90; 90; 90 | 1040.6 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547288 | CIF | Fe7.2 K7.2 O16 Ti0.8 | F d -3 m :2 | 8.0715; 8.0715; 8.0715 90; 90; 90 | 525.85 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547289 | CIF | Fe7.2 K7.2 O16 Ti0.8 | F d -3 m :2 | 8.0961; 8.0961; 8.0961 90; 90; 90 | 530.67 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547290 | CIF | Fe7.2 K7.2 O16 Ti0.8 | F d -3 m :2 | 8.1062; 8.1062; 8.1062 90; 90; 90 | 532.66 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547291 | CIF | C44 H50 N2 Si4 | P 1 21/c 1 | 17.957; 5.9124; 22.486 90; 122.636; 90 | 2010.4 | Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262 |
1547292 | CIF | C28 H16 F4 | P -1 | 9.6393; 9.6969; 11.313 78.132; 77.374; 78.525 | 996.6 | Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262 |
1547293 | CIF | C32 H14 F4 N2 | P -1 | 7.0204; 7.3076; 11.485 102.679; 92.77; 103.071 | 556.96 | Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262 |
1547294 | CIF | C40 H52 Si4 | P -1 | 11.1962; 11.4527; 16.6957 104.961; 104.164; 96.492 | 1969.6 | Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes The Journal of Physical Chemistry C, 2017, 121, 21262 |
1547523 | CIF | C19 H13 N5 | C 1 2/c 1 | 17.907; 7.805; 25.346 90; 92.386; 90 | 3539 | Philip, Abbey M.; Kuriakose, Febin; Hariharan, Mahesh Unsolicited Photoexcited-State Pathways Relegate the Long-Lived Charge Separation in Self-Assembled Nucleobase‒Arene Conjugate The Journal of Physical Chemistry C, 2017, 121, 23259 |
1547591 | CIF | C78 H64 Cl2 Cu2 P4 | P -1 | 19.295; 20.238; 21.0495 90.57; 100.738; 116.476 | 7188.2 | You, Zhensheng; Li, Heng; Zhang, Lijun; Yu, Bing; Zhang, Jin; Wu, Xiaoming A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous Metal‒Organic Framework The Journal of Physical Chemistry C, 2017, 121, 23072 |
1547637 | CIF | C30 H32 F12 Mn2 N14 P2 | P 1 21/c 1 | 9.5331; 16.22; 12.8433 90; 94.694; 90 | 1979.3 | Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers The Journal of Physical Chemistry C, 2017, 121, 22727 |
1547638 | CIF | C30 H32 B2 F8 Mn2 N14 | P 1 21/c 1 | 9.3323; 16.1831; 12.3918 90; 95.304; 90 | 1863.5 | Liu, Yang; Chen, Yan-Cong; Wu, Si-Guo; Li, Quan-Wen; Chen, Wen-Bin; Liu, Jun-Liang; Tong, Ming-Liang Exploring the Inverse Magnetocaloric Effect in Discrete MnII Dimers The Journal of Physical Chemistry C, 2017, 121, 22727 |
1547653 | CIF | C4 H14 Bi Br5 N2 | P n a 21 | 18.297; 10.234; 7.8231 90; 90; 90 | 1464.9 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547654 | CIF | C4 H14 Bi Br3.1 Cl1.9 N2 | P n a 21 | 18.16; 10.074; 7.6542 90; 90; 90 | 1400.3 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547655 | CIF | C4 H14 Bi Br1.8 Cl3.2 N2 | P n a 21 | 18.109; 9.998; 7.5855 90; 90; 90 | 1373.4 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547656 | CIF | C4 H14 Bi Br1.4 Cl3.6 N2 | P n a 21 | 18.12; 9.95; 7.5357 90; 90; 90 | 1358.6 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547657 | CIF | C4 H14 Bi Br1.1 Cl3.9 N2 | P n a 21 | 18.209; 9.975; 7.5491 90; 90; 90 | 1371.2 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547658 | CIF | C4 H14 Bi Br5 N2 | P n m a | 17.899; 7.93; 10.381 90; 90; 90 | 1473 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547659 | CIF | C4 H14 Bi Br3.1 Cl1.9 N2 | P n m a | 17.697; 7.639; 10.071 90; 90; 90 | 1361.5 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547660 | CIF | C4 H14 Bi Br1.8 Cl3.2 N2 | P n m a | 17.891; 7.722; 10.203 90; 90; 90 | 1410 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547661 | CIF | C4 H14 Bi Br1.4 Cl3.6 N2 | P n m a | 17.693; 7.6587; 10.1094 90; 90; 90 | 1369.9 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547662 | CIF | C4 H14 Bi Br1.1 Cl3.9 N2 | P n m a | 17.755; 7.681; 10.12 90; 90; 90 | 1380.1 | Wang, Ya; Shi, Chao; Han, Xiang-Bin Mixed Bromine‒Chlorine Induced Great Dielectric and Second-Order Nonlinear Optical Properties Changes in Phase Transitions Compounds [H2mdap][BiBr5(1-x)Cl5x] (x = 0.00‒1.00) The Journal of Physical Chemistry C, 2017, 121, 23039 |
1547873 | CIF | C192 H216 Au37.01 Cu S24 | R -3 c | 19.4293; 19.4293; 129.434 90; 90; 120 | 42315 | Chai, Jinsong; Lv, Ying; Yang, Sha; Song, Yongbo; Zan, Xiaofeng; Li, Qinzhen; Yu, Haizhu; Wu, Mingzai; Zhu, Manzhou X-ray Crystal Structure and Optical Properties of Au38‒xCux(2,4-(CH3)2C6H3S)24 (x = 0‒6) Alloy Nanocluster The Journal of Physical Chemistry C, 2017, 121, 21665 |
1547897 | CIF | C20 H40 Cl2 F12 Mg2 N2 O16 S4 | P n a 21 | 24.817; 8.7512; 39.949 90; 90; 90 | 8676 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1547898 | CIF | C20 H50 Al2 Cl12 Mg3 O10 | P 1 | 12.3498; 16.4651; 35.607 80.016; 81.571; 85.031 | 7039.7 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1547899 | CIF | C16 H40 Al2 Cl10 Mg2 O8 | P c a 21 | 26.523; 7.284; 19.1745 90; 90; 90 | 3704.4 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1547900 | CIF | C8 H20 Cl2 Mg O4 | P -1 | 7.3174; 7.3446; 14.081 83.146; 85.655; 62.313 | 665.14 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1547901 | CIF | C24 H50 Cl4 F12 Mg3 N2 O18 S4 | C 1 2/c 1 | 23.2385; 13.4472; 16.6436 90; 100.815; 90 | 5108.6 | Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research The Journal of Physical Chemistry C, 2017, 121, 24909 |
1548146 | CIF | C22 H32 F3 N4 Na O8 | C 1 2/c 1 | 18.4018; 17.2253; 18.0341 90; 113.208; 90 | 5253.8 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548147 | CIF | C16 H20 F3 N4 Na O5 | P 21 21 21 | 9.52266; 9.79219; 21.7134 90; 90; 90 | 2024.72 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548148 | CIF | C18 H24 F3 N4 Na O6 | P 1 21/c 1 | 9.2466; 17.7798; 14.7018 90; 102.101; 90 | 2363.31 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548149 | CIF | C16 H22 F3 N4 Na O5 | P -1 | 15.02929; 22.3663; 25.749 90.0006; 90.0093; 102.862 | 8438.34 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548150 | CIF | C28 H36 F6 N8 Na2 O8 | P -1 | 9.3885; 10.2919; 10.7572 82.713; 67.371; 74.624 | 924.7 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548151 | CIF | C12 H14 F3 N4 Na O3 | P 1 21/c 1 | 20.2366; 9.67468; 16.1201 90; 96.6933; 90 | 3134.52 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548152 | CIF | C26 H20 F9 N12 Na3 O4 | P 21 21 2 | 37.2006; 12.80126; 7.46127 90; 90; 90 | 3553.17 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548153 | CIF | C10 H8 F3 N4 Na O | P 1 21/n 1 | 16.0906; 8.8916; 16.8789 90; 94.97; 90 | 2405.8 | Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems The Journal of Physical Chemistry C, 2017, 121, 26713 |
1548290 | CIF | C20 H10 B F2 N3 S4 | P -1 | 7.4908; 11.994; 12.0878 65.066; 83.917; 77.77 | 962.28 | Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents The Journal of Physical Chemistry C, 2017, 121, 27009 |
1548291 | CIF | C16 H10 B F2 N3 S2 | P 1 21/n 1 | 9.4685; 12.8918; 12.7084 90; 101.357; 90 | 1520.9 | Guo, Changxiang; Li, Mengwei; Yuan, Wei; Wang, Kai; Zou, Bo; Chen, Yulan Tuning the Mechanochromic Luminescence of BOPIM Complexes by Rational Introduction of Aromatic Substituents The Journal of Physical Chemistry C, 2017, 121, 27009 |
1548344 | CIF | Ga0.3333 Ge0.3333 N Zn0.3333 | P 63 m c | 3.19186; 3.19186; 5.18498 90; 90; 120 | 45.7473 | Suehiro, Takayuki; Tansho, Masataka; Shimizu, Tadashi Quaternary Wurtzitic Nitrides in the System ZnGeN2‒GaN: Powder Synthesis, Characterization, and Potentiality as a Photocatalyst The Journal of Physical Chemistry C, 2017, 121, 27590 |
1548663 | CIF | C36 H33 O6 P3 | P -1 | 12.8859; 16.1958; 16.3976 87.898; 88.392; 66.732 | 3141.3 | Tupikina, Elena Yu.; Bodensteiner, Michael; Tolstoy, Peter M.; Denisov, Gleb S.; Shenderovich, Ilya G. P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor The Journal of Physical Chemistry C, 2018 |
1548664 | CIF | C19 H20 O4 P2 | C 1 2/c 1 | 17.0211; 12.4999; 18.018 90; 106.364; 90 | 3678.26 | Tupikina, Elena Yu.; Bodensteiner, Michael; Tolstoy, Peter M.; Denisov, Gleb S.; Shenderovich, Ilya G. P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor The Journal of Physical Chemistry C, 2018 |
1548665 | CIF | C6 H21 N3 O5 P2 | P 1 21/c 1 | 19.4469; 9.4267; 36.0286 90; 93.5031; 90 | 6592.4 | Tupikina, Elena Yu.; Bodensteiner, Michael; Tolstoy, Peter M.; Denisov, Gleb S.; Shenderovich, Ilya G. P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor The Journal of Physical Chemistry C, 2018 |
1548845 | CIF | C16 H22 F3 Li N4 O6 | P 1 21/n 1 | 12.4709; 8.2509; 20.2761 90; 91.312; 90 | 2085.79 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548846 | CIF | C36 H54 F6 Li2 N8 O15 | P 21 21 21 | 14.2835; 17.9913; 18.1462 90; 90; 90 | 4663.19 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548847 | CIF | C26 H22 F9 Li3 N12 O5 | P b c a | 19.704; 13.9512; 26.6779 90; 90; 90 | 7333.61 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548848 | CIF | C6 H6 F3 Li N4 O3 | P 1 21/c 1 | 6.9332; 9.311; 15.6864 90; 91.59; 90 | 1012.25 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548849 | CIF | C6 H8 F3 Li N4 O4 | P 1 21/n 1 | 9.0805; 6.7141; 18.9826 90; 91.321; 90 | 1157 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548850 | CIF | C12 H12 F6 Li2 N8 O6 | P -1 | 7.3838; 8.5505; 9.9562 112.61; 109.205; 93.78 | 534.47 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548851 | CIF | C18 H16 F6 Li2 N8 O4 | P -1 | 8.5247; 10.0929; 15.4277 102.766; 99.27; 98.81 | 1252.86 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548852 | CIF | C16 H18 F6 Li2 N8 O6 | P 1 21/n 1 | 8.653; 18.007; 16.68 90; 91.5; 90 | 2598 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1549033 | CIF | C H5 Br3 N2 Pb | R -3 :H | 8.347; 8.347; 10.218 90; 90; 120 | 616.53 | Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D. Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ? The Journal of Physical Chemistry C, 2018 |
1549034 | CIF | C H5 Cl3 N2 Pb | P m -3 m | 5.7379; 5.7379; 5.7379 90; 90; 90 | 188.912 | Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D. Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ? The Journal of Physical Chemistry C, 2018 |
1552546 | CIF | Al1.95 H2 K O12 Si4 Ti0.05 | C 1 2/c 1 | 5.1875; 9.0047; 20.0217 90; 95.752; 90 | 930.54 | Stubbs, Joanne E.; Legg, Benjamin A.; Lee, Sang Soo; Dera, Przemyslaw; De Yoreo, James J.; Fenter, Paul; Eng, Peter J. Epitaxial Growth of Gibbsite Sheets on the Basal Surface of Muscovite Mica The Journal of Physical Chemistry C, 2019 |
1552547 | CIF | C22 H14 N2 O2 | P 1 21/n 1 | 7.2416; 19.5787; 12.4951 90; 104.895; 90 | 1712 | Wang, Zhiqiang; Wang, Mengzhu; Peng, Jingqing; Xie, Yufeng; Liu, Miaochang; Gao, Wenxia; Zhou, Yunbing; Huang, Xiaobo; Wu, Huayue Polymorphism and Multicolor Mechanofluorochromism of a D-π-A Asymmetric 4H-Pyran Derivative with Aggregation-Induced Emission Property The Journal of Physical Chemistry C, 2019 |
1552548 | CIF | C22 H14 N2 O2 | P 1 21/n 1 | 7.2532; 19.5985; 12.5057 90; 105.046; 90 | 1716.76 | Wang, Zhiqiang; Wang, Mengzhu; Peng, Jingqing; Xie, Yufeng; Liu, Miaochang; Gao, Wenxia; Zhou, Yunbing; Huang, Xiaobo; Wu, Huayue Polymorphism and Multicolor Mechanofluorochromism of a D-π-A Asymmetric 4H-Pyran Derivative with Aggregation-Induced Emission Property The Journal of Physical Chemistry C, 2019 |
1552861 | CIF | C56 H80 Cl16 N16 O16 Zn4 | P 1 2/c 1 | 7.1661; 15.084; 19.1836 90; 103.732; 90 | 2014.35 | Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury The Journal of Physical Chemistry C, 2019 |
1552862 | CIF | C14 H16 Cl4 D6 N4 O4 Zn | C 1 2/c 1 | 19.0387; 15.0913; 7.2869 90; 96.822; 90 | 2078.8 | Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury The Journal of Physical Chemistry C, 2019 |
1552863 | CIF | C14 H22 Cl4 N4 O4 Zn | C 1 2/c 1 | 19.0472; 15.0384; 7.2585 90; 96.774; 90 | 2064.61 | Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury The Journal of Physical Chemistry C, 2019 |
1552916 | CIF | C30 H26 | P -1 | 8.39; 9.828; 13.251 79.129; 87.424; 89.762 | 1071.9 | Zhu, Wen-Sai; Han, Ya-Min; An, Xiang; Weng, Jie-Na; Yu, Meng-Na; Bai, Lu-Bing; Wei, Chuan-Xin; Lin, Jin-Yi; Liu, Wei; Ou, Chang-Jin; Xie, Ling-Hai; Ding, Xue-Hua; Zhao, Jian-Feng; Xu, Chun-Xiang; Huang, Wei Highly Emissive Hierarchical Uniform Dialkylfluorene-Based Dimer Microcrystals for Ultraviolet Organic Laser The Journal of Physical Chemistry C, 2019 |
1554053 | CIF | C20 H17 N O2 | P 1 21/c 1 | 10.194; 11.472; 13.683 90; 97.76; 90 | 1585.5 | Hariharan, P. S.; Venkataramanan, N. S.; Moon, Dohyun; Anthony, Savarimuthu Philip Self-Reversible Mechanochromism and Thermochromism of a Triphenylamine-Based Molecule: Tunable Fluorescence and Nanofabrication Studies The Journal of Physical Chemistry C, 2015, 119, 9460 |
1554054 | CIF | C8 H18 F6 Li O4 P | P 1 21/n 1 | 6.1967; 12.558; 18.169 90; 95.745; 90 | 1406.8 | Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes The Journal of Physical Chemistry C, 2015, 119, 8492 |
1554055 | CIF | C5 H10 F3 Li0.5 O3 P0.5 | P n m a | 9.5125; 21.8997; 8.5903 90; 90; 90 | 1789.5 | Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A. Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes The Journal of Physical Chemistry C, 2015, 119, 8492 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!