Crystallography Open Database

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Searching journal of publication like 'The Journal of Physical Chemistry C'

COD ID: 1501546
CIF file Formula: - C17 H26 N6 O2 -
Comments: 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 115 (2011) 12908-12919
Space group: P -1
Cell volume: 898.59
Cell parameters: 8.0471; 10.3951; 11.689; 67.342; 85.03; 89.545;  

COD ID: 1501547
CIF file Formula: - C28 H40 N6 O4 -
Comments: 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 115 (2011) 12908-12919
Space group: C 1 2/c 1
Cell volume: 5649.8
Cell parameters: 50.606; 7.9595; 14.0826; 90; 95.126; 90;  

COD ID: 1501548
CIF file Formula: - C24 H40 N6 O4 -
Comments: 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 115 (2011) 12908-12919
Space group: P -1
Cell volume: 672.43
Cell parameters: 4.8615; 7.4585; 19.034; 83.881; 84.671; 79.308;  

COD ID: 1501549
CIF file Formula: - C26 H44 N6 O4 -
Comments: 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 115 (2011) 12908-12919
Space group: P -1
Cell volume: 2119.1
Cell parameters: 7.5805; 11.1838; 25.627; 94.378; 92.854; 101.374;  

COD ID: 1501550
CIF file Formula: - C16 H24 N6 O2 -
Comments: 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 115 (2011) 12908-12919
Space group: P -1
Cell volume: 853.62
Cell parameters: 8.8653; 9.4282; 10.7014; 104.685; 90.861; 98.832;  

COD ID: 1501551
CIF file Formula: - C32 H48 N6 O4 -
Comments: 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 115 (2011) 12908-12919
Space group: C 1 2/c 1
Cell volume: 6389.6
Cell parameters: 58.554; 7.9545; 14.0407; 90; 102.299; 90;  

COD ID: 1501644
CIF file Formula: - C17 H26 N6 O2 -
Comments: 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 115 (2011) 12908-12919
Space group: P -1
Cell volume: 1794.6
Cell parameters: 10.3277; 13.405; 13.648; 92.13; 106.824; 95.885;  

COD ID: 1501668
CIF file Formula: - C42 H48 Cl Eu N2 O11 -
Comments: 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 115(5) (2011) 2332
Space group: P -1
Cell volume: 2121.92
Cell parameters: 12.1445; 13.1978; 14.8062; 110.115; 106.619; 90.128;  

COD ID: 1501674
CIF file Formula: - C5 H11 F3 N2 -
Comments: 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 115(10) (2011) 4324
Space group: P -1
Cell volume: 373.9
Cell parameters: 7.357; 8.151; 8.444; 59.374; 61.691; 65.709;  

COD ID: 1501675
CIF file Formula: - C5 H12 F4 N2 -
Comments: 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 115(10) (2011) 4324
Space group: P 1 21/n 1
Cell volume: 863.17
Cell parameters: 5.598; 10.6076; 14.5523; 90; 92.713; 90;  

COD ID: 1501680
CIF file Formula: - C50 H46 N4 O4 S4 -
Comments: 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 115(5) (2011) 2592
Space group: P 1 21/c 1
Cell volume: 4433
Cell parameters: 17.756; 21.9782; 11.5593; 90; 100.667; 90;  

COD ID: 1501681
CIF file Formula: - C196 H128 Cl8 -
Comments: 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 115(11) (2011) 4872
Space group: P 1 21/c 1
Cell volume: 3704.5
Cell parameters: 11.849; 17.35; 21.055; 90; 121.146; 90;  

COD ID: 1501684
CIF file Formula: - B10 H30 Mg O10 -
Comments: 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 115(23) (2011) 11793
Space group: C 1 2/c 1
Cell volume: 3641.1
Cell parameters: 14.22; 16.974; 15.099; 90; 92.46; 90;  

COD ID: 1501697
CIF file Formula: - C21 H25 N Si -
Comments: 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 115(22) (2011) 11265
Space group: P -1
Cell volume: 1865
Cell parameters: 10.7935; 11.3034; 16.2004; 107.802; 93.422; 95.478;  

COD ID: 1501698
CIF file Formula: - C27 H26 F3 N Si -
Comments: 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 115(22) (2011) 11265
Space group: P 21 21 21
Cell volume: 2411
Cell parameters: 8.0586; 14.782; 20.24; 90; 90; 90;  

COD ID: 1501717
CIF file Formula: - C22 H30 N4 O2 -
Comments: 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 115(29) (2011) 14353
Space group: P -1
Cell volume: 524.8
Cell parameters: 6.9676; 8.345; 9.765; 79.75; 70.26; 83.19;  

COD ID: 1501718
CIF file Formula: - C22 H30 N4 O2 -
Comments: 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 115(29) (2011) 14353
Space group: P 1 21/n 1
Cell volume: 1052.2
Cell parameters: 12.055; 6.5584; 13.381; 90; 95.95; 90;  

COD ID: 1501743
CIF file Formula: - C29 H17 N -
Comments: 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 115(31) (2011) 15502
Space group: P 1 21/c 1
Cell volume: 1878.9
Cell parameters: 12.102; 6.175; 25.167; 90; 92.532; 90;  

COD ID: 1501757
CIF file Formula: - B3 Ce Cl D12 Li -
Comments: 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 115(47) (2011) 23591
Space group: I -4 3 m
Cell volume: 1557.55
Cell parameters: 11.5917; 11.5917; 11.5917; 90; 90; 90;  

COD ID: 1501758
CIF file Formula: - B3 Ce Cl D12 Li -
Comments: 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 115(47) (2011) 23591
Space group: I -4 3 m
Cell volume: 1587.3
Cell parameters: 11.665; 11.665; 11.665; 90; 90; 90;  

COD ID: 1501768
CIF file Formula: - C18 H19 N3 O -
Comments: 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 115(48) (2011) 23955
Space group: P -1
Cell volume: 773.58
Cell parameters: 6.556; 7.697; 17.438; 93.754; 97.256; 116.531;  

COD ID: 1501769
CIF file Formula: - C18 H19 N3 -
Comments: 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 115(48) (2011) 23955
Space group: P -1
Cell volume: 788.67
Cell parameters: 7.6934; 9.7091; 11.3685; 84.576; 73.338; 75.881;  

COD ID: 1501773
CIF file Formula: - C22 H12 S4 -
Comments: 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 115(48) (2011) 23984
Space group: C 1 2/c 1
Cell volume: 1743.7
Cell parameters: 38.113; 5.8256; 7.8705; 90; 93.77; 90;  

COD ID: 1502688
CIF file Formula: - C8 Cr D4 O5 -
Comments: 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 114(23) (2010) 10648
Space group: I m c m
Cell volume: 1509.5
Cell parameters: 16.772; 13.145; 6.847; 90; 90; 90;  

COD ID: 1502689
CIF file Formula: - Al -
Comments: 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 114(23) (2010) 10648
Space group: F m -3 m
Cell volume: 65.641
Cell parameters: 4.0339; 4.0339; 4.0339; 90; 90; 90;  

COD ID: 1502690
CIF file Formula: - O2.06 Si -
Comments: 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 114(26) (2010) 11650
Space group: C 1 2/m 1
Cell volume: 1879.94
Cell parameters: 18.6386; 13.49476; 7.63047; 90; 101.616; 90;  

COD ID: 1502691
CIF file Formula: - O2.27 Si -
Comments: 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 114(26) (2010) 11650
Space group: C 1 2/m 1
Cell volume: 1872.11
Cell parameters: 18.60462; 13.49472; 7.60745; 90; 101.425; 90;  

COD ID: 1502696
CIF file Formula: - C16 H12 Br N3 S -
Comments: 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 114(35) (2010) 15109
Space group: P -1
Cell volume: 725.5
Cell parameters: 7.012; 8.204; 13.839; 99.83; 104.43; 103.92;  

COD ID: 1502697
CIF file Formula: - C24 H18 N6 S -
Comments: 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 114(35) (2010) 15109
Space group: I b a 2
Cell volume: 4099
Cell parameters: 20.712; 24.812; 7.977; 90; 90; 90;  

COD ID: 1502698
CIF file Formula: - C21 H22 N4 S -
Comments: 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 114(35) (2010) 15109
Space group: P -1
Cell volume: 928.6
Cell parameters: 7.796; 11.103; 11.989; 116.03; 94.517; 90.441;  

COD ID: 1502699
CIF file Formula: - C16 H13 N3 S -
Comments: 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 114(35) (2010) 15109
Space group: P 1 21/c 1
Cell volume: 1344
Cell parameters: 9.245; 7.1205; 20.631; 90; 98.268; 90;  

COD ID: 1502711
CIF file Formula: - C134 H56 Gd3 N5 Ni -
Comments: 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 114(30) (2010) 13003
Space group: C 1 2/m 1
Cell volume: 7771.9
Cell parameters: 25.2056; 15.4634; 19.9594; 90; 92.52; 90;  

COD ID: 1502712
CIF file Formula: - C50 H24 Cl4 Mn N8 -
Comments: 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 114(48) (2010) 20614
Space group: C 1 2/c 1
Cell volume: 4507.5
Cell parameters: 19.4543; 10.1426; 22.8662; 90; 92.539; 90;  

COD ID: 1502713
CIF file Formula: - C50 H24 Cl4 Mn N8 -
Comments: 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 114(48) (2010) 20614
Space group: P 1 21/n 1
Cell volume: 2268.5
Cell parameters: 9.5196; 10.7091; 22.28; 90; 92.8788; 90;  

COD ID: 1502719
CIF file Formula: - C107 H47 Br -
Comments: 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 114(41) (2010) 17741
Space group: P 1 21/a 1
Cell volume: 6334.3
Cell parameters: 20.2439; 14.5966; 21.7947; 90; 100.403; 90;  

COD ID: 1502720
CIF file Formula: - C266 H120 O2 S4 -
Comments: 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 114(41) (2010) 17741
Space group: P -1
Cell volume: 8228.22
Cell parameters: 17.009; 22.21; 22.825; 99.68; 104.3; 90.07;  

COD ID: 1502734
CIF file Formula: - C44 H30 -
Comments: 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 114(43) (2010) 18702
Space group: R -3 :H
Cell volume: 14827.4
Cell parameters: 39.1553; 39.1553; 11.16743; 90; 90; 120;  

COD ID: 1502735
CIF file Formula: - C60 H42 -
Comments: 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 114(43) (2010) 18702
Space group: P 1 21/n 1
Cell volume: 4236.3
Cell parameters: 10.5356; 9.7161; 41.525; 90; 94.721; 90;  

COD ID: 1502738
CIF file Formula: - C21 H24 F6 N3 O3 P S -
Comments: 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 114(50) (2010) 22289
Space group: P -1
Cell volume: 1159.42
Cell parameters: 9.4565; 11.8283; 11.8421; 73.341; 67.179; 76.833;  

COD ID: 1502751
CIF file Formula: - C18 H21 N3 O4 -
Comments: 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 114(1) (2010) 580
Space group: P -1
Cell volume: 833.92
Cell parameters: 8.04668; 9.35578; 11.91507; 102.436; 103.177; 98.6481;  

COD ID: 1502752
CIF file Formula: - C18 H21 N3 O4 -
Comments: 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 114(1) (2010) 580
Space group: C 1 2/c 1
Cell volume: 3408.4
Cell parameters: 14.0496; 11.80399; 20.9323; 90; 100.936; 90;  

COD ID: 1502753
CIF file Formula: - C60 H55 N3 O2 S2 -
Comments: 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 114(10) (2010) 4628
Space group: P -1
Cell volume: 2457
Cell parameters: 12.5499; 14.0994; 14.8676; 88.659; 71.166; 80.833;  

COD ID: 1502757
CIF file Formula: - C15 H10 O2 -
Comments: 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 114(9) (2010) 4142
Space group: P 1 21/n 1
Cell volume: 1059.2
Cell parameters: 3.89; 9.37; 29.06; 90; 90.64; 90;  

COD ID: 1502758
CIF file Formula: - C15 H10 O2 -
Comments: 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 114(9) (2010) 4142
Space group: P 1 21/n 1
Cell volume: 1062.2
Cell parameters: 3.9; 9.37; 29.07; 90; 90.64; 90;  

COD ID: 1502767
CIF file Formula: - C34 H30 N4 O -
Comments: 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 114(7) (2010) 2925
Space group: P 1 21/n 1
Cell volume: 2634
Cell parameters: 18.382; 5.7303; 25.034; 90; 92.7; 90;  

COD ID: 1507134
CIF file Formula: - B3 H12 K Zn -
Comments: 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 116(1) (2012) 1563
Space group: R 3 :H
Cell volume: 553.3
Cell parameters: 7.6291; 7.6291; 10.977; 90; 90; 120;  

COD ID: 1507135
CIF file Formula: - B1.89 Cl2.11 H16 K2 Zn -
Comments: 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 116(1) (2012) 1563
Space group: P 1 21/n 1
Cell volume: 822.5
Cell parameters: 12.3628; 9.1099; 7.3394; 90; 95.737; 90;  

COD ID: 1507790
CIF file Formula: - C26 H26 O8 -
Comments: 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 116(24) (2012) 13052
Space group: P -1
Cell volume: 1181.44
Cell parameters: 9.3227; 10.6215; 13.2099; 76.492; 69.406; 78.765;  

COD ID: 1507791
CIF file Formula: - C34 H30 O8 -
Comments: 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 116(24) (2012) 13052
Space group: P -1
Cell volume: 712.59
Cell parameters: 9.0092; 9.5914; 10.1026; 70.319; 66.113; 65.792;  

COD ID: 1507792
CIF file Formula: - C41 H35 Cl3 O8 -
Comments: 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 116(24) (2012) 13052
Space group: P 1 21 1
Cell volume: 3686.02
Cell parameters: 10.2725; 15.2009; 23.731; 90; 95.896; 90;  

COD ID: 1507793
CIF file Formula: - C44 H36 Cl6 O8 -
Comments: 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 116(24) (2012) 13052
Space group: P -1
Cell volume: 1015.07
Cell parameters: 9.0194; 10.271; 13.3188; 67.405; 73.348; 64.216;  

COD ID: 1507794
CIF file Formula: - C16 H18 S4 Si -
Comments: 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 116(22) (2012) 12093
Space group: C 1 2/c 1
Cell volume: 3698.9
Cell parameters: 12.2489; 9.598; 31.693; 90; 96.914; 90;  

COD ID: 1507795
CIF file Formula: - C13 H10 S4 -
Comments: 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 116(22) (2012) 12093
Space group: P 1 21/n 1
Cell volume: 1345.1
Cell parameters: 7.514; 7.9218; 22.6337; 90; 93.267; 90;  

COD ID: 1507796
CIF file Formula: - C24 H12 N12 O25 Zn6 -
Comments: 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 116(24) (2012) 13143
Space group: P a -3
Cell volume: 8148.5
Cell parameters: 20.123; 20.123; 20.123; 90; 90; 90;  

COD ID: 1507797
CIF file Formula: - C24 H12 Cu9 N12 O23 -
Comments: 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 116(24) (2012) 13143
Space group: F m -3 m
Cell volume: 77341
Cell parameters: 42.606; 42.606; 42.606; 90; 90; 90;  

COD ID: 1507798
CIF file Formula: - C48 H72 B6 N12 O13 Zn4 -
Comments: 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 116(24) (2012) 13143
Space group: F m -3 m
Cell volume: 37293
Cell parameters: 33.41; 33.41; 33.41; 90; 90; 90;  

COD ID: 1507799
CIF file Formula: - C48 H24 O13 Zn4 -
Comments: 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 116(24) (2012) 13143
Space group: P 42/n c m :2
Cell volume: 15328.1
Cell parameters: 19.7213; 19.7213; 39.411; 90; 90; 90;  

COD ID: 1507800
CIF file Formula: - C54 H24 O13 Zn4 -
Comments: 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 116(24) (2012) 13143
Space group: P 32 1 2
Cell volume: 32932
Cell parameters: 31.114; 31.114; 39.28; 90; 90; 120;  

COD ID: 1507801
CIF file Formula: - C49 H37 N2 O5 -
Comments: 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 116(23) (2012) 12489
Space group: P -1
Cell volume: 1962.16
Cell parameters: 10.4825; 12.3742; 16.3558; 83.7391; 86.7693; 68.5231;  

COD ID: 1508260
CIF file Formula: - C24 H16 N2 -
Comments: 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 116(28) (2012) 15146
Space group: P n a 21
Cell volume: 3517
Cell parameters: 19.5; 6.929; 26.031; 90; 90; 90;  

COD ID: 1508268
CIF file Formula: - C58 Cr6 K2 N6 O70 Si W12 -
Comments: 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 116(30) (2012) 16105
Space group: C 1 2/c 1
Cell volume: 10751.9
Cell parameters: 32.2759; 25.4517; 13.9332; 90; 110.053; 90;  

COD ID: 1508526
CIF file Formula: - C3 H7 O5 P -
Comments: 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 116(35) (2012) 18824
Space group: P 1 21/n 1
Cell volume: 612.06
Cell parameters: 5.77; 5.3158; 20.0297; 90; 94.956; 90;  

COD ID: 1508527
CIF file Formula: - La0.6 O7 Si2 Y1.4 -
Comments: 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 116(40) (2012) 21523
Space group: P 1 21/c 1
Cell volume: 610.638
Cell parameters: 5.40134; 8.6917; 14.09262; 90; 112.636; 90;  

COD ID: 1508528
CIF file Formula: - La0.6 O7 Si2 Y1.4 -
Comments: 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 116(40) (2012) 21523
Space group: P 1 21/c 1
Cell volume: 597.06
Cell parameters: 5.381678; 8.60257; 14.03235; 90; 113.212; 90;  

COD ID: 1508529
CIF file Formula: - La0.9 O7 Si2 Y1.1 -
Comments: 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 116(40) (2012) 21523
Space group: P 1 21/c 1
Cell volume: 595.01
Cell parameters: 5.379664; 8.581892; 14.03969; 90; 113.369; 90;  

COD ID: 1508530
CIF file Formula: - La0.6 O7 Si2 Y1.4 -
Comments: 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 116(40) (2012) 21523
Space group: P 1 21/c 1
Cell volume: 591.545
Cell parameters: 5.37478; 8.54709; 14.0561; 90; 113.637; 90;  

COD ID: 1508531
CIF file Formula: - La0.2 O7 Si2 Y1.8 -
Comments: 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 116(40) (2012) 21523
Space group: P n a m
Cell volume: 567.286
Cell parameters: 13.74372; 5.02936; 8.20701; 90; 90; 90;  

COD ID: 1508532
CIF file Formula: - La0.2 O7 Si2 Y1.8 -
Comments: 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 116(40) (2012) 21523
Space group: P n a m
Cell volume: 563.244
Cell parameters: 13.70483; 5.02519; 8.17844; 90; 90; 90;  

COD ID: 1508533
CIF file Formula: - B4 H16 Zr -
Comments: 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 116(38) (2012) 20239
Space group: P -4 3 m
Cell volume: 199.04
Cell parameters: 5.8387; 5.8387; 5.8387; 90; 90; 90;  

COD ID: 1508534
CIF file Formula: - C38 H44 O4 -
Comments: 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 116(41) (2012) 21967
Space group: P -1
Cell volume: 1611.2
Cell parameters: 9.4067; 10.9795; 15.662; 86.97; 85.99; 88.859;  

COD ID: 1508535
CIF file Formula: - C42 H52 O4 -
Comments: 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 116(41) (2012) 21967
Space group: P 1 21/c 1
Cell volume: 3636.4
Cell parameters: 9.5229; 12.0451; 32.149; 90; 99.557; 90;  

COD ID: 1508536
CIF file Formula: - C49 H37 N2 O5 -
Comments: 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 116(42) (2012) 22631
Space group: P -1
Cell volume: 1962.16
Cell parameters: 10.4825; 12.3742; 16.3558; 83.7391; 86.7693; 68.5231;  

COD ID: 1508537
CIF file Formula: - C84 H36 F8 N8 -
Comments: 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 116(45) (2012) 23957
Space group: P -1
Cell volume: 2915.2
Cell parameters: 7.2802; 19.228; 22.545; 112.045; 90.085; 94.351;  

COD ID: 1508538
CIF file Formula: - C28 H24 N6 -
Comments: 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 116(45) (2012) 23957
Space group: P 1 21/n 1
Cell volume: 1181.6
Cell parameters: 6.7481; 21.891; 8.1279; 90; 100.229; 90;  

COD ID: 1508823
CIF file Formula: - C48 H53 N O7 Pt -
Comments: 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 117(1) (2013) 532
Space group: P 1 21/c 1
Cell volume: 4183.4
Cell parameters: 18.3993; 8.58214; 27.5862; 90; 106.182; 90;  

COD ID: 1508824
CIF file Formula: - C28 H29 N O3 Pt -
Comments: 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 117(1) (2013) 532
Space group: P 1 21/c 1
Cell volume: 5030.4
Cell parameters: 8.8407; 17.8439; 31.9076; 90; 92.0189; 90;  

COD ID: 1508919
CIF file Formula: - C49 H37 N2 O5 -
Comments: Cheriya, Rijo T.; Nagarajan, Kalaivanan; Hariharan, Mahesh Single-Component Organic Light-Harvesting Red Luminescent Crystal The Journal of Physical Chemistry C 117(7) (2013) 3240
Space group: P -1
Cell volume: 1962.16
Cell parameters: 10.4825; 12.3742; 16.3558; 83.7391; 86.7693; 68.5231;  

COD ID: 1508920
CIF file Formula: - C28 H24 N2 O4 -
Comments: 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 117(7) (2013) 3467
Space group: P 1 21/c 1
Cell volume: 2376.3
Cell parameters: 11.125; 21.323; 10.4804; 90; 107.093; 90;  

COD ID: 1508921
CIF file Formula: - C28 H24 N2 O4 -
Comments: 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 117(7) (2013) 3467
Space group: C 1 2/c 1
Cell volume: 4687.1
Cell parameters: 19.228; 12.902; 21.509; 90; 118.55; 90;  

COD ID: 1511784
CIF file Formula: - C8 H8 B F2 Li N2 O4 -
Comments: 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 117(11) (2013) 5521
Space group: P 1 21/m 1
Cell volume: 550.98
Cell parameters: 6.1948; 15.6492; 6.2164; 90; 113.897; 90;  

COD ID: 1511785
CIF file Formula: - C4 H3 B F2 Li N O4 -
Comments: 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 117(11) (2013) 5521
Space group: P n m a
Cell volume: 737.65
Cell parameters: 8.0325; 6.1722; 14.8786; 90; 90; 90;  

COD ID: 1511786
CIF file Formula: - C8 H9 B F2 Li N3 O4 -
Comments: 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 117(11) (2013) 5521
Space group: P n m a
Cell volume: 1265.47
Cell parameters: 8.0286; 6.3995; 24.6301; 90; 90; 90;  

COD ID: 1511787
CIF file Formula: - C84 H144 B6 F12 Li6 N8 O48 -
Comments: 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 117(11) (2013) 5521
Space group: P 1 21/c 1
Cell volume: 6153
Cell parameters: 21.957; 12.906; 25.723; 90; 122.419; 90;  

COD ID: 1511788
CIF file Formula: - C13 H18 B2 F4 Li2 O17 -
Comments: 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 117(11) (2013) 5521
Space group: P 1 21/n 1
Cell volume: 1119.71
Cell parameters: 8.1606; 10.7284; 12.8309; 90; 94.6107; 90;  

COD ID: 1511789
CIF file Formula: - C22 H42 B2 F4 Li2 O14 -
Comments: 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 117(11) (2013) 5521
Space group: P 1
Cell volume: 820.1
Cell parameters: 8.554; 8.841; 12.929; 93.573; 108.72; 114.576;  

COD ID: 1511790
CIF file Formula: - C10 H20 B F2 Li O8 -
Comments: 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 117(11) (2013) 5521
Space group: C 1 2/c 1
Cell volume: 3245
Cell parameters: 25.731; 8.467; 16.921; 90; 118.327; 90;  

COD ID: 1511791
CIF file Formula: - C6 H6 B F2 Li O7 -
Comments: 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 117(11) (2013) 5521
Space group: P 1 21/m 1
Cell volume: 486.35
Cell parameters: 6.443; 6.2831; 12.1294; 90; 97.91; 90;  

COD ID: 1511792
CIF file Formula: - C11 H23 B F2 Li N3 O4 -
Comments: 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 117(11) (2013) 5521
Space group: P 1 21/c 1
Cell volume: 1650.9
Cell parameters: 13.626; 8.717; 18.413; 90; 130.986; 90;  

COD ID: 1511793
CIF file Formula: - C6 H4 B F2 Li N2 O4 -
Comments: 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 117(11) (2013) 5521
Space group: P n m a
Cell volume: 929.7
Cell parameters: 8.58; 7.781; 13.926; 90; 90; 90;  

COD ID: 1511794
CIF file Formula: - C38 H45 B F2 N2 -
Comments: 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 117(10) (2013) 5373
Space group: P 1 21/c 1
Cell volume: 3087.9
Cell parameters: 14.0557; 11.4779; 19.3737; 90; 98.905; 90;  

COD ID: 1511795
CIF file Formula: - C14 H8 O2 S3 -
Comments: 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 117(12) (2013) 6022
Space group: P c a 21
Cell volume: 1258.31
Cell parameters: 27.724; 3.8968; 11.6473; 90; 90; 90;  

COD ID: 1511796
CIF file Formula: - C10 H6 O2 S2 -
Comments: 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 117(12) (2013) 6022
Space group: P 1 21/c 1
Cell volume: 471.28
Cell parameters: 7.2737; 4.7577; 13.719; 90; 96.938; 90;  

COD ID: 1511797
CIF file Formula: - C16 H8 O4 S3 -
Comments: 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 117(12) (2013) 6022
Space group: P 1 21/c 1
Cell volume: 1444.75
Cell parameters: 17.4433; 7.3062; 11.3446; 90; 92.185; 90;  

COD ID: 1511798
CIF file Formula: - C62 H72 N6 S8 Si -
Comments: 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 117(10) (2013) 4920
Space group: C 1 2/c 1
Cell volume: 6025.8
Cell parameters: 39.3141; 15.2065; 10.3691; 90; 103.575; 90;  

COD ID: 1511799
CIF file Formula: - C3.665 D45.54 O30.33 -
Comments: 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 117(16) (2013) 8443
Space group: P m -3 n
Cell volume: 1671.56
Cell parameters: 11.8679; 11.8679; 11.8679; 90; 90; 90;  

COD ID: 1511800
CIF file Formula: - C12 H7 O P S3 -
Comments: Ren, Yi; Biegger, Felix; Baumgartner, Thomas Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes The Journal of Physical Chemistry C 117(9) (2013) 4748
Space group: P 1 21/c 1
Cell volume: 1230.42
Cell parameters: 10.076; 8.291; 14.934; 90; 99.516; 90;  

COD ID: 1511801
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 290.7
Cell parameters: 3.8208; 11.912; 6.388; 90; 91.11; 90;  

COD ID: 1511802
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 286.9
Cell parameters: 3.8036; 11.858; 6.3628; 90; 91.083; 90;  

COD ID: 1511803
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 284
Cell parameters: 3.7895; 11.825; 6.34; 90; 91.096; 90;  

COD ID: 1511804
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 279.4
Cell parameters: 3.7633; 11.778; 6.305; 90; 90.85; 90;  

COD ID: 1511805
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 278.3
Cell parameters: 3.762; 11.781; 6.281; 90; 90.84; 90;  

COD ID: 1511806
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 269.9
Cell parameters: 3.722; 11.676; 6.212; 90; 90.86; 90;  

COD ID: 1511807
CIF file Formula: - C3 H8 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/n 1
Cell volume: 264.4
Cell parameters: 3.689; 11.651; 6.151; 90; 90.48; 90;  

COD ID: 1511808
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 186.9
Cell parameters: 5.416; 4.893; 7.294; 90; 104.78; 90;  

COD ID: 1511809
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 186
Cell parameters: 5.408; 4.887; 7.275; 90; 104.65; 90;  

COD ID: 1511810
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 178.7
Cell parameters: 5.344; 4.833; 7.15; 90; 104.63; 90;  

COD ID: 1511811
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 171.6
Cell parameters: 5.267; 4.759; 7.05; 90; 103.85; 90;  

COD ID: 1511812
CIF file Formula: - C4 H10 -
Comments: Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Why Propane? The Journal of Physical Chemistry C 117(9) (2013) 4759
Space group: P 1 21/c 1
Cell volume: 166.2
Cell parameters: 5.236; 4.735; 6.912; 90; 104.11; 90;  

COD ID: 1511813
CIF file Formula: - C52 H50 O2 -
Comments: Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C 117(14) (2013) 7236
Space group: P -1
Cell volume: 4189.2
Cell parameters: 12.28; 15.6586; 23.5675; 76.397; 78.217; 74.138;  

COD ID: 1511814
CIF file Formula: - C60 H64 O2 -
Comments: Kumar, Shiv; Venkatramaiah, N.; Patil, Satish Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics The Journal of Physical Chemistry C 117(14) (2013) 7236
Space group: P 1 21/c 1
Cell volume: 4798.4
Cell parameters: 12.4695; 25.1015; 16.1011; 90; 107.8; 90;  

COD ID: 1511815
CIF file Formula: - C5 H6 N2 O S -
Comments: 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 117(15) (2013) 7764
Space group: P 1 21/c 1
Cell volume: 597.97
Cell parameters: 4.3315; 14.4396; 9.5617; 90; 90.8638; 90;  

COD ID: 1511816
CIF file Formula: - C5 H6 N2 O S -
Comments: 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 117(15) (2013) 7764
Space group: P 1 21/c 1
Cell volume: 594.69
Cell parameters: 4.3135; 14.432; 9.5548; 90; 91.17; 90;  

COD ID: 1511817
CIF file Formula: - C28 H34 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P -1
Cell volume: 552.1
Cell parameters: 6.663; 6.883; 12.477; 94.702; 94.348; 103.397;  

COD ID: 1511818
CIF file Formula: - C38 H42 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P 1 21/c 1
Cell volume: 1434.9
Cell parameters: 8.7787; 15.673; 10.689; 90; 102.668; 90;  

COD ID: 1511819
CIF file Formula: - C33 H34 O2 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P 1 21/n 1
Cell volume: 5046
Cell parameters: 9.862; 49.707; 10.319; 90; 93.959; 90;  

COD ID: 1511820
CIF file Formula: - C50 H70 Na2 O14 S2 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P -1
Cell volume: 5042
Cell parameters: 12.824; 16.877; 25.494; 103.863; 91.782; 108.619;  

COD ID: 1511821
CIF file Formula: - C50 H58 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P -1
Cell volume: 945.9
Cell parameters: 7.617; 10.296; 13.249; 72.923; 75.218; 76.43;  

COD ID: 1511822
CIF file Formula: - C52 H54 O2 -
Comments: Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M. Systematic Molecular Design ofp-Phenylene Lasing Properties The Journal of Physical Chemistry C 117(16) (2013) 8429
Space group: P 1 21/c 1
Cell volume: 4019.7
Cell parameters: 15.938; 11.092; 23.495; 90; 104.583; 90;  

COD ID: 1511830
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1549.7
Cell parameters: 9.676; 16.2; 9.8866; 90; 90; 90;  

COD ID: 1511831
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1519.3
Cell parameters: 9.66; 16.126; 9.753; 90; 90; 90;  

COD ID: 1511832
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1507.1
Cell parameters: 9.676; 16.179; 9.627; 90; 90; 90;  

COD ID: 1511833
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1471.2
Cell parameters: 9.634; 16.132; 9.466; 90; 90; 90;  

COD ID: 1511834
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P b c a
Cell volume: 1456.2
Cell parameters: 9.637; 16.135; 9.365; 90; 90; 90;  

COD ID: 1511835
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1382.9
Cell parameters: 5.825; 28.908; 8.224; 90; 93.03; 90;  

COD ID: 1511836
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1374.4
Cell parameters: 5.8185; 28.941; 8.173; 90; 93.01; 90;  

COD ID: 1511837
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1344.4
Cell parameters: 5.806; 28.807; 8.05; 90; 93.12; 90;  

COD ID: 1511838
CIF file Formula: - C8 H8 O3 -
Comments: Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej Pressure Effect ond,l-Mandelic Acid Racemate Crystallization The Journal of Physical Chemistry C 117(14) (2013) 7279
Space group: P 1 21/c 1
Cell volume: 1311.2
Cell parameters: 5.786; 28.65; 7.924; 90; 93.44; 90;  

COD ID: 1511979
CIF file Formula: - C19 H18 N2 O -
Comments: 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 117(18) (2013) 9416
Space group: P n a 21
Cell volume: 1601.7
Cell parameters: 15.399; 10.82; 9.613; 90; 90; 90;  

COD ID: 1511980
CIF file Formula: - C19 H18 N2 O -
Comments: 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 117(18) (2013) 9416
Space group: P n a 21
Cell volume: 1593.2
Cell parameters: 15.393; 10.798; 9.5855; 90; 90; 90;  

COD ID: 1511981
CIF file Formula: - C19 H18 N2 O -
Comments: 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 117(18) (2013) 9416
Space group: P n a 21
Cell volume: 1583.1
Cell parameters: 15.3711; 10.7478; 9.5826; 90; 90; 90;  

COD ID: 1511983
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 745.6
Cell parameters: 7.054; 12.84; 8.232; 90; 90; 90;  

COD ID: 1511984
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral–Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 734.9
Cell parameters: 6.971; 12.783; 8.247; 90; 90; 90;  

COD ID: 1511985
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral–Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 715.5
Cell parameters: 6.8805; 12.6682; 8.209; 90; 90; 90;  

COD ID: 1511986
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 696.5
Cell parameters: 6.749; 12.599; 8.191; 90; 90; 90;  

COD ID: 1511987
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 680.3
Cell parameters: 6.6851; 12.492; 8.146; 90; 90; 90;  

COD ID: 1511988
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 663.2
Cell parameters: 6.612; 12.385; 8.099; 90; 90; 90;  

COD ID: 1511989
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 635.9
Cell parameters: 6.45; 12.224; 8.0651; 90; 90; 90;  

COD ID: 1511990
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 619.7
Cell parameters: 6.392; 12.04; 8.052; 90; 90; 90;  

COD ID: 1511991
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 610.6
Cell parameters: 6.3573; 12.03; 7.984; 90; 90; 90;  

COD ID: 1511992
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 563.9
Cell parameters: 6.147; 11.648; 7.876; 90; 90; 90;  

COD ID: 1511993
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a b
Cell volume: 547.7
Cell parameters: 6.0669; 11.554; 7.814; 90; 90; 90;  

COD ID: 1511994
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 703.34
Cell parameters: 6.8012; 12.5689; 8.2278; 90; 90; 90;  

COD ID: 1511995
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 704.13
Cell parameters: 6.8045; 12.5768; 8.2278; 90; 90; 90;  

COD ID: 1511996
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 705.88
Cell parameters: 6.8163; 12.5868; 8.2275; 90; 90; 90;  

COD ID: 1511997
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 707.3
Cell parameters: 6.8245; 12.5972; 8.2273; 90; 90; 90;  

COD ID: 1511998
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 708.76
Cell parameters: 6.8306; 12.6103; 8.2284; 90; 90; 90;  

COD ID: 1511999
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 710.87
Cell parameters: 6.8442; 12.6228; 8.2283; 90; 90; 90;  

COD ID: 1512000
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 712.51
Cell parameters: 6.8508; 12.6373; 8.2299; 90; 90; 90;  

COD ID: 1512001
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 714.11
Cell parameters: 6.8614; 12.65; 8.2274; 90; 90; 90;  

COD ID: 1512002
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 717.09
Cell parameters: 6.8794; 12.6652; 8.2302; 90; 90; 90;  

COD ID: 1512003
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 719.4
Cell parameters: 6.8902; 12.6822; 8.2327; 90; 90; 90;  

COD ID: 1512004
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 721.51
Cell parameters: 6.903; 12.6968; 8.2321; 90; 90; 90;  

COD ID: 1512005
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 723.44
Cell parameters: 6.9155; 12.7076; 8.2322; 90; 90; 90;  

COD ID: 1512006
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 725.3
Cell parameters: 6.9234; 12.7234; 8.2337; 90; 90; 90;  

COD ID: 1512007
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 727.49
Cell parameters: 6.9397; 12.7371; 8.2303; 90; 90; 90;  

COD ID: 1512008
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 730.23
Cell parameters: 6.9533; 12.7634; 8.2281; 90; 90; 90;  

COD ID: 1512009
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 732.63
Cell parameters: 6.9692; 12.7818; 8.2245; 90; 90; 90;  

COD ID: 1512010
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 734.43
Cell parameters: 6.9782; 12.798; 8.2237; 90; 90; 90;  

COD ID: 1512011
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 737.02
Cell parameters: 6.9934; 12.8124; 8.2255; 90; 90; 90;  

COD ID: 1512012
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 740.11
Cell parameters: 7.01; 12.831; 8.2285; 90; 90; 90;  

COD ID: 1512013
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 741.31
Cell parameters: 7.0252; 12.8396; 8.2185; 90; 90; 90;  

COD ID: 1512014
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 744.36
Cell parameters: 7.0396; 12.8637; 8.22; 90; 90; 90;  

COD ID: 1512015
CIF file Formula: - C3 H4 N2 -
Comments: Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C 117(20) (2013) 10661
Space group: P n a 21
Cell volume: 752.6
Cell parameters: 7.0814; 12.8818; 8.2503; 90; 90; 90;  

COD ID: 1512130
CIF file Formula: - C16 H15 N O4 -
Comments: 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 117(27) (2013) 14130
Space group: P b c a
Cell volume: 2504.2
Cell parameters: 7.707; 13.875; 23.418; 90; 90; 90;  

COD ID: 1512131
CIF file Formula: - C22 H27 N O4 -
Comments: 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 117(27) (2013) 14130
Space group: C 1 2/c 1
Cell volume: 3813
Cell parameters: 25.115; 11.99; 15.721; 90; 126.342; 90;  

COD ID: 1512132
CIF file Formula: - C12 H13 N O2 -
Comments: 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 117(27) (2013) 14130
Space group: P 1 21/c 1
Cell volume: 1015
Cell parameters: 13.786; 5.596; 15.675; 90; 122.93; 90;  

COD ID: 1512133
CIF file Formula: - C17 H18 F3 N O2 -
Comments: 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 117(27) (2013) 14130
Space group: P 1 21/m 1
Cell volume: 1534.4
Cell parameters: 12.365; 7.358; 16.939; 90; 95.378; 90;  

COD ID: 1512134
CIF file Formula: - Br6.06 Cl8.31 H92 O46 -
Comments: 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 117(27) (2013) 14176
Space group: P m -3 n
Cell volume: 1711.59
Cell parameters: 11.9619; 11.9619; 11.9619; 90; 90; 90;  

COD ID: 1512135
CIF file Formula: - C12 H4 N2 S2 -
Comments: 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 117(33) (2013) 16759
Space group: P 21 21 21
Cell volume: 1021.8
Cell parameters: 3.8226; 8.471; 31.554; 90; 90; 90;  

COD ID: 1512136
CIF file Formula: - C12 H4 N2 S2 -
Comments: 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 117(33) (2013) 16759
Space group: P 21 21 21
Cell volume: 979.03
Cell parameters: 3.8268; 14.7465; 17.3489; 90; 90; 90;  

COD ID: 1512137
CIF file Formula: - C15 H20 O S2 Si2 -
Comments: 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 117(33) (2013) 16759
Space group: P b c a
Cell volume: 3711.9
Cell parameters: 6.9752; 21.458; 24.8; 90; 90; 90;  

COD ID: 1512140
CIF file Formula: - C40 H34 Cl4 N8 O10 -
Comments: 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 117(33) (2013) 17352
Space group: P -1
Cell volume: 1085.63
Cell parameters: 5.6982; 13.6181; 14.318; 79.003; 88.852; 84.498;  

COD ID: 1512147
CIF file Formula: - Br38.27 H344 O172 -
Comments: 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 117(27) (2013) 14176
Space group: P 42/m n m
Cell volume: 6411.7
Cell parameters: 23.0436; 23.0436; 12.0745; 90; 90; 90;  

COD ID: 1512149
CIF file Formula: - Cl13.3 H92 O46 -
Comments: 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 117(27) (2013) 14176
Space group: P m -3 n
Cell volume: 1715.5
Cell parameters: 11.971; 11.971; 11.971; 90; 90; 90;  

COD ID: 1512251
CIF file Formula: - C18 H10 N2 O4 -
Comments: 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 117(35) (2013) 18154
Space group: C 1 2/c 1
Cell volume: 2798.2
Cell parameters: 29.36; 3.8228; 24.968; 90; 93.109; 90;  

COD ID: 1512252
CIF file Formula: - C4 H12 Al Li -
Comments: 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 117(35) (2013) 18091
Space group: P 1 21/n 1
Cell volume: 702.1
Cell parameters: 6.2978; 11.6066; 9.6537; 90; 95.748; 90;  

COD ID: 1512558
CIF file Formula: - Eu0.08 Na3.92 O24 Sc4 Si8 -
Comments: 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 117(40) (2013) 20847
Space group: C 1 2/c 1
Cell volume: 456.01
Cell parameters: 9.83355; 9.07414; 5.34456; 90; 107.021; 90;  

COD ID: 1513083
CIF file Formula: - C23 H18 F6 S8 -
Comments: Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C 117(45) (2013) 23529
Space group: P -1
Cell volume: 1371.4
Cell parameters: 8.7188; 11.3511; 14.6792; 78.45; 74.701; 89.477;  

COD ID: 1513084
CIF file Formula: - C24 H17 F6 N S5 -
Comments: Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units The Journal of Physical Chemistry C 117(45) (2013) 23529
Space group: P 1 21/c 1
Cell volume: 2466.93
Cell parameters: 12.4181; 10.4442; 19.0213; 90; 90.457; 90;  

COD ID: 1513085
CIF file Formula: - C34 H40 N4 -
Comments: 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 117(47) (2013) 24997
Space group: C 1 2/c 1
Cell volume: 3021
Cell parameters: 21.767; 5.973; 23.372; 90; 96.26; 90;  

COD ID: 1513086
CIF file Formula: - C34 H40 N4 -
Comments: 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 117(47) (2013) 24997
Space group: P 1 21/c 1
Cell volume: 2930.5
Cell parameters: 11.81; 11.257; 23.291; 90; 108.84; 90;  

COD ID: 1513087
CIF file Formula: - Fe2 O4 Zn -
Comments: 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 117(46) (2013) 24213
Space group: F d -3 m :1
Cell volume: 599.35
Cell parameters: 8.4313; 8.4313; 8.4313; 90; 90; 90;  

COD ID: 1513088
CIF file Formula: - C10 H4 N4 S4 -
Comments: 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 117(48) (2013) 25325
Space group: P 1 21/c 1
Cell volume: 574.6
Cell parameters: 5.8139; 5.8101; 17.366; 90; 101.604; 90;  

COD ID: 1513089
CIF file Formula: - C17 H33 Er O10 -
Comments: 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 117(45) (2013) 23970
Space group: P 1 21/n 1
Cell volume: 2234.4
Cell parameters: 10.4187; 19.6076; 10.9402; 90; 91.235; 90;  

COD ID: 1513090
CIF file Formula: - C72 Er F60 N3 O6 P6 -
Comments: 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 117(45) (2013) 23970
Space group: P 1 2/n 1
Cell volume: 4009.2
Cell parameters: 12.3554; 13.8738; 23.392; 90; 90.974; 90;  

COD ID: 1513091
CIF file Formula: - C72 H60 Er N3 O6 P6 -
Comments: 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 117(45) (2013) 23970
Space group: P -1
Cell volume: 3238.21
Cell parameters: 14.329; 14.8267; 17.7919; 89.86; 76.118; 62.792;  

COD ID: 1513377
CIF file Formula: - C28 H20 O4 -
Comments: 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 118(1) (2014) 338
Space group: P 63/m
Cell volume: 3372
Cell parameters: 14.766; 14.766; 17.858; 90; 90; 120;  

COD ID: 1513378
CIF file Formula: - C32 H28 N2 O6 S4 -
Comments: 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 118(1) (2014) 657
Space group: P 1 21/c 1
Cell volume: 1492.99
Cell parameters: 11.1947; 5.6858; 23.9486; 90; 101.642; 90;  

COD ID: 1513379
CIF file Formula: - C43 H34 Cl N6 O29 Tb4 -
Comments: 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 118(1) (2014) 416
Space group: C 1 2/c 1
Cell volume: 12491.9
Cell parameters: 34.5079; 19.159; 23.9838; 90; 128.019; 90;  

COD ID: 1513380
CIF file Formula: - C43 H34 Cl Gd4 N6 O29 -
Comments: 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 118(1) (2014) 416
Space group: C 1 2/c 1
Cell volume: 12261.9
Cell parameters: 34.5583; 19.0573; 23.688; 90; 128.188; 90;  

COD ID: 1513806
CIF file Formula: - C8 H24 O12 Si8 -
Comments: 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 118(10) (2014) 5579
Space group: R -3 :H
Cell volume: 1748.62
Cell parameters: 12.4443; 12.4443; 13.0384; 90; 90; 120;  

COD ID: 1513807
CIF file Formula: - C8 H24 O12 Si8 -
Comments: 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 118(10) (2014) 5579
Space group: R -3 :H
Cell volume: 1714.61
Cell parameters: 12.3948; 12.3948; 12.8871; 90; 90; 120;  

COD ID: 1513808
CIF file Formula: - C8 H24 O12 Si8 -
Comments: 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 118(10) (2014) 5579
Space group: R -3 :H
Cell volume: 1732.87
Cell parameters: 12.4109; 12.4109; 12.99059; 90; 90; 120;  

COD ID: 1513809
CIF file Formula: - C8 H24 O12 Si8 -
Comments: 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 118(10) (2014) 5579
Space group: R -3 :H
Cell volume: 1719.4
Cell parameters: 12.3959; 12.3959; 12.9208; 90; 90; 120;  

COD ID: 1513810
CIF file Formula: - C8 H24 O12 Si8 -
Comments: 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 118(10) (2014) 5579
Space group: R -3 :H
Cell volume: 1774.76
Cell parameters: 12.5077; 12.5077; 13.0995; 90; 90; 120;  

COD ID: 1514183
CIF file Formula: - C6 Al K O5 Si2 -
Comments: 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 118(14) (2014) 7458
Space group: P 1 21/a 1
Cell volume: 941.86
Cell parameters: 10.1307; 9.1486; 10.6002; 90; 106.526; 90;  

COD ID: 1514184
CIF file Formula: - C6 Al K0.883 O7.255 Si2 -
Comments: 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 118(14) (2014) 7458
Space group: P 1 21/a 1
Cell volume: 1131.61
Cell parameters: 10.831; 10.4782; 10.6059; 90; 109.924; 90;  

COD ID: 1514242
CIF file Formula: - C4 H N5 -
Comments: 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 118(15) (2014) 7781
Space group: P 1 21/c 1
Cell volume: 500.81
Cell parameters: 6.0001; 11.0822; 7.5504; 90; 94.0457; 90;  

COD ID: 1514243
CIF file Formula: - C16 H20 Li2 N10 O4 -
Comments: 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 118(15) (2014) 7781
Space group: P -1
Cell volume: 1113.53
Cell parameters: 7.3027; 12.0514; 13.4782; 78.9079; 84.1793; 73.2896;  

COD ID: 1514244
CIF file Formula: - C20 H28 Li2 N10 O6 -
Comments: 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 118(15) (2014) 7781
Space group: P -1
Cell volume: 688.94
Cell parameters: 9.1877; 9.2708; 9.6723; 104.991; 111.404; 103.684;  

COD ID: 1514245
CIF file Formula: - C6 H F3 N4 -
Comments: 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 118(15) (2014) 7781
Space group: P 21 21 21
Cell volume: 731.6
Cell parameters: 6.327; 7.943; 14.558; 90; 90; 90;  

COD ID: 1514246
CIF file Formula: - C14 H20 F3 Li N4 O4 -
Comments: 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 118(15) (2014) 7781
Space group: P -1
Cell volume: 955.03
Cell parameters: 8.5394; 9.0672; 12.4686; 84.359; 84.592; 86.347;  

COD ID: 1514247
CIF file Formula: - C18 H28 F3 Li N4 O6 -
Comments: 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 118(15) (2014) 7781
Space group: P b c a
Cell volume: 4834
Cell parameters: 15.741; 16.454; 18.665; 90; 90; 90;  

COD ID: 1514248
CIF file Formula: - C14 H18 F3 Li N4 O4 -
Comments: 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 118(15) (2014) 7781
Space group: P 1 21/c 1
Cell volume: 1789.4
Cell parameters: 7.2884; 14.667; 17.635; 90; 108.341; 90;  

COD ID: 1514249
CIF file Formula: - C20 H12 F6 Li2 N12 -
Comments: 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 118(15) (2014) 7781
Space group: P -1
Cell volume: 663.8
Cell parameters: 8.521; 8.659; 10.512; 100.382; 101.817; 113.835;  

COD ID: 1514250
CIF file Formula: - C10 H8 F3 Li N4 O -
Comments: 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 118(15) (2014) 7781
Space group: P -1
Cell volume: 575.6
Cell parameters: 8.128; 8.606; 8.614; 73.415; 85.388; 88.509;  

COD ID: 1514251
CIF file Formula: - C9 H4 F3 Li N4 O3 -
Comments: 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 118(15) (2014) 7781
Space group: P 1 21/c 1
Cell volume: 1161.9
Cell parameters: 11.582; 8.604; 14.248; 90; 125.08; 90;  

COD ID: 1514252
CIF file Formula: - C10 H6 F3 Li N4 O3 -
Comments: 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 118(15) (2014) 7781
Space group: P 1 21/c 1
Cell volume: 1243.9
Cell parameters: 9.2612; 14.667; 11.5933; 90; 127.825; 90;  

COD ID: 1514253
CIF file Formula: - C15 H6 F6 Li2 N8 O3 -
Comments: 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 118(15) (2014) 7781
Space group: C 1 2/c 1
Cell volume: 2027.8
Cell parameters: 15.114; 8.782; 15.345; 90; 95.378; 90;  

COD ID: 1514330
CIF file Formula: - C33 H30 N2 O2 -
Comments: 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 118(16) (2014) 8531
Space group: P 1 21/n 1
Cell volume: 2693.5
Cell parameters: 14.11; 11.504; 17.793; 90; 111.155; 90;  

COD ID: 1514331
CIF file Formula: - C23 H24 N4 O2 -
Comments: 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 118(16) (2014) 8531
Space group: C 1 2/c 1
Cell volume: 4248
Cell parameters: 30.567; 7.925; 17.725; 90; 98.37; 90;  

COD ID: 1514332
CIF file Formula: - C24 H25 N3 O2 -
Comments: 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 118(16) (2014) 8531
Space group: P -1
Cell volume: 1082.1
Cell parameters: 7.516; 8.738; 16.992; 98.617; 97.284; 97.346;  

COD ID: 1514333
CIF file Formula: - C24 H25 N3 O2 -
Comments: 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 118(16) (2014) 8531
Space group: P n a 21
Cell volume: 2108.9
Cell parameters: 48.93; 5.783; 7.453; 90; 90; 90;  

COD ID: 1514905
CIF file Formula: - C12 H16 N4 O8 S Zn -
Comments: 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 118(17) (2014) 9217
Space group: P b c a
Cell volume: 3265.5
Cell parameters: 9.1328; 9.0544; 39.49; 90; 90; 90;  

COD ID: 1514906
CIF file Formula: - C12 H16 Cd N4 O8 S -
Comments: 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 118(17) (2014) 9217
Space group: P 1 21 1
Cell volume: 880.26
Cell parameters: 6.8863; 10.0489; 12.7212; 90; 90.543; 90;  

COD ID: 1514907
CIF file Formula: - C12 H18 N6 O8 S Zn -
Comments: 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 118(17) (2014) 9217
Space group: P 1 21/c 1
Cell volume: 1715.34
Cell parameters: 21.2322; 8.5552; 9.475; 90; 94.688; 90;  

COD ID: 1514908
CIF file Formula: - C12 H18 Cd N6 O8 S -
Comments: 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 118(17) (2014) 9217
Space group: P n m a
Cell volume: 1779.1
Cell parameters: 9.5591; 21.864; 8.5122; 90; 90; 90;  

COD ID: 1514909
CIF file Formula: - C12 H20 N6 O9 S Zn -
Comments: 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 118(17) (2014) 9217
Space group: P 21 21 21
Cell volume: 1871.7
Cell parameters: 7.9153; 10.9871; 21.5221; 90; 90; 90;  

COD ID: 1516032
CIF file Formula: - C48 H33 N3 -
Comments: 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 118(20) (2014) 10998
Space group: P 43 21 2
Cell volume: 3657.8
Cell parameters: 10.6097; 10.6097; 32.495; 90; 90; 90;  

COD ID: 1516120
CIF file Formula: - B H6 N2 Na -
Comments: 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 118(21) (2014) 11244
Space group: P 1 21/c 1
Cell volume: 367.22
Cell parameters: 4.97456; 7.9607; 10.2456; 90; 115.166; 90;  

COD ID: 1516287
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17222.9
Cell parameters: 25.8247; 25.8247; 25.8247; 90; 90; 90;  

COD ID: 1516288
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17119.7
Cell parameters: 25.773; 25.773; 25.773; 90; 90; 90;  

COD ID: 1516289
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17338.8
Cell parameters: 25.8825; 25.8825; 25.8825; 90; 90; 90;  

COD ID: 1516290
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17083.8
Cell parameters: 25.755; 25.755; 25.755; 90; 90; 90;  

COD ID: 1516291
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17238.1
Cell parameters: 25.8323; 25.8323; 25.8323; 90; 90; 90;  

COD ID: 1516292
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17084.8
Cell parameters: 25.7555; 25.7555; 25.7555; 90; 90; 90;  

COD ID: 1516293
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17294.4
Cell parameters: 25.8604; 25.8604; 25.8604; 90; 90; 90;  

COD ID: 1516294
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17302.2
Cell parameters: 25.8643; 25.8643; 25.8643; 90; 90; 90;  

COD ID: 1516295
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17206.3
Cell parameters: 25.8164; 25.8164; 25.8164; 90; 90; 90;  

COD ID: 1516296
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17148.4
Cell parameters: 25.7874; 25.7874; 25.7874; 90; 90; 90;  

COD ID: 1516297
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17323.9
Cell parameters: 25.8751; 25.8751; 25.8751; 90; 90; 90;  

COD ID: 1516298
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17194.3
Cell parameters: 25.8104; 25.8104; 25.8104; 90; 90; 90;  

COD ID: 1516299
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17357.7
Cell parameters: 25.8919; 25.8919; 25.8919; 90; 90; 90;  

COD ID: 1516300
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17179.5
Cell parameters: 25.803; 25.803; 25.803; 90; 90; 90;  

COD ID: 1516301
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17263.3
Cell parameters: 25.8449; 25.8449; 25.8449; 90; 90; 90;  

COD ID: 1516302
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17274.2
Cell parameters: 25.8503; 25.8503; 25.8503; 90; 90; 90;  

COD ID: 1516303
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17249.9
Cell parameters: 25.8382; 25.8382; 25.8382; 90; 90; 90;  

COD ID: 1516304
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17109.1
Cell parameters: 25.7677; 25.7677; 25.7677; 90; 90; 90;  

COD ID: 1516305
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17170.3
Cell parameters: 25.7984; 25.7984; 25.7984; 90; 90; 90;  

COD ID: 1516306
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17130.2
Cell parameters: 25.7783; 25.7783; 25.7783; 90; 90; 90;  

COD ID: 1516307
CIF file Formula: - C24 H12 O13 Zn4 -
Comments: 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 114(39) (2010) 16181
Space group: F m -3 m
Cell volume: 17152.4
Cell parameters: 25.7894; 25.7894; 25.7894; 90; 90; 90;  

COD ID: 1516308
CIF file Formula: - C7 H14 F N O20 Si10 -
Comments: 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 114(14) (2010) 6726
Space group: I 4/m
Cell volume: 1117.83
Cell parameters: 9.1454; 9.1454; 13.3651; 90; 90; 90;  

COD ID: 1516309
CIF file Formula: - C7 H14 F N O20 Si10 -
Comments: 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 114(14) (2010) 6726
Space group: I 4/m
Cell volume: 1126.31
Cell parameters: 9.1827; 9.1827; 13.3572; 90; 90; 90;  

COD ID: 1516310
CIF file Formula: - C7 H14 F N O20 Si10 -
Comments: 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 114(14) (2010) 6726
Space group: I 4/m
Cell volume: 1123.12
Cell parameters: 9.1666; 9.1666; 13.3662; 90; 90; 90;  

COD ID: 1516311
CIF file Formula: - C7 H14 F N O20 Si10 -
Comments: 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 114(14) (2010) 6726
Space group: I 4/m
Cell volume: 1119.81
Cell parameters: 9.154; 9.154; 13.3636; 90; 90; 90;  

COD ID: 1516312
CIF file Formula: - C7 H14 F N O20 Si10 -
Comments: 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 114(14) (2010) 6726
Space group: I 4/m
Cell volume: 1116.05
Cell parameters: 9.1379; 9.1379; 13.3657; 90; 90; 90;  

COD ID: 1516313
CIF file Formula: - C7 H14 F N O20 Si10 -
Comments: 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 114(14) (2010) 6726
Space group: I 4/m
Cell volume: 1122
Cell parameters: 9.1695; 9.1695; 13.344; 90; 90; 90;  

COD ID: 1516322
CIF file Formula: - C20 H14 B F2 I O3 -
Comments: 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 118(22) (2014) 11906
Space group: P 1 21/c 1
Cell volume: 1802.19
Cell parameters: 8.2225; 15.7819; 13.9342; 90; 94.669; 90;  

COD ID: 1516323
CIF file Formula: - C22 H17 B F2 O3 -
Comments: 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 118(22) (2014) 11906
Space group: P 1 21/c 1
Cell volume: 1788.46
Cell parameters: 7.0724; 13.4708; 18.7873; 90; 92.283; 90;  

COD ID: 1516324
CIF file Formula: - C20 H13 B Br2 F2 O3 -
Comments: 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 118(22) (2014) 11906
Space group: P 1 21/n 1
Cell volume: 1898
Cell parameters: 7.4641; 17.7664; 14.5841; 90; 101.072; 90;  

COD ID: 1516419
CIF file Formula: - C24 H12 F6 O2 S2 -
Comments: 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 113(39) (2009) 17189
Space group: C m c a
Cell volume: 2109
Cell parameters: 6.844; 22.211; 13.877; 90; 90; 90;  

COD ID: 1516420
CIF file Formula: - C30 H22 -
Comments: 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 113(22) (2009) 9892
Space group: P 1 21/n 1
Cell volume: 1029.6
Cell parameters: 5.25; 9.4591; 20.734; 90; 90.7; 90;  

COD ID: 1516421
CIF file Formula: - C38 H38 O2 -
Comments: 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 113(22) (2009) 9892
Space group: P -1
Cell volume: 1479.8
Cell parameters: 9.5989; 12.563; 14.354; 110.05; 107.52; 99.46;  

COD ID: 1516422
CIF file Formula: - C38 H38 O2 -
Comments: 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 113(22) (2009) 9892
Space group: P 1 21/c 1
Cell volume: 1491.4
Cell parameters: 9.2404; 8.6917; 18.711; 90; 97.04; 90;  

COD ID: 1516423
CIF file Formula: - C32 H26 O2 -
Comments: 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 113(22) (2009) 9892
Space group: P -1
Cell volume: 595.8
Cell parameters: 6.9598; 8.8751; 10.465; 101.5; 99.17; 105.19;  

COD ID: 1516424
CIF file Formula: - H4 Li2.79 Mg2.66 N4 -
Comments: 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 113(35) (2009) 15772
Space group: I -4 2 m
Cell volume: 253.13
Cell parameters: 5.12981; 5.12981; 9.6191; 90; 90; 90;  

COD ID: 1516425
CIF file Formula: - C23 H33 N S -
Comments: 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 113(45) (2009) 19677
Space group: C 1 2/c 1
Cell volume: 4308.2
Cell parameters: 38.898; 6.1786; 19.3956; 90; 112.449; 90;  

COD ID: 1516426
CIF file Formula: - C166 H64 N12 Ni2 -
Comments: 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 113(45) (2009) 19694
Space group: C 1 2/c 1
Cell volume: 11873
Cell parameters: 36.842; 14.498; 24.607; 90; 115.396; 90;  

COD ID: 1516427
CIF file Formula: - C21 H21 N Si -
Comments: 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 113(45) (2009) 19686
Space group: P c c n
Cell volume: 3739.3
Cell parameters: 19.1697; 21.281; 9.166; 90; 90; 90;  

COD ID: 1516428
CIF file Formula: - C38 H30 N2 Si -
Comments: 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 113(45) (2009) 19686
Space group: P -1
Cell volume: 1455.4
Cell parameters: 8.4321; 12.7787; 13.8467; 88.084; 81.072; 80.929;  

COD ID: 1516429
CIF file Formula: - C56 H36 Cl2 N3 Si -
Comments: 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 113(45) (2009) 19686
Space group: P 1 21/c 1
Cell volume: 4480.3
Cell parameters: 15.3044; 20.9557; 14.1004; 90; 97.804; 90;  

COD ID: 1516430
CIF file Formula: - C72 H48 N4 Si -
Comments: 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 113(45) (2009) 19686
Space group: P -1
Cell volume: 2586.4
Cell parameters: 8.2688; 13.798; 23.516; 79.314; 80.893; 81.98;  

COD ID: 1516431
CIF file Formula: - C36 H27 N Si -
Comments: 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 113(45) (2009) 19686
Space group: P 1 21 1
Cell volume: 1373
Cell parameters: 12.622; 7.267; 16.01; 90; 110.752; 90;  

COD ID: 1516432
CIF file Formula: - C48 H34 N2 Si -
Comments: 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 113(45) (2009) 19686
Space group: C 1 2/c 1
Cell volume: 10778
Cell parameters: 17.632; 20.248; 30.81; 90; 101.527; 90;  

COD ID: 1516433
CIF file Formula: - C30 H20 N2 -
Comments: 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 113(45) (2009) 19686
Space group: P 21 21 21
Cell volume: 2156.9
Cell parameters: 9.0748; 12.493; 19.025; 90; 90; 90;  

COD ID: 1516434
CIF file Formula: - B12 H12 Na2 -
Comments: 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 113(26) (2009) 11187
Space group: P 1 21/n 1
Cell volume: 523.28
Cell parameters: 7.03062; 10.65399; 7.0093; 90; 94.6759; 90;  

COD ID: 1516435
CIF file Formula: - C32 H28 B F2 N2 -
Comments: 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 113(36) (2009) 15845
Space group: P -1
Cell volume: 1268.7
Cell parameters: 6.7344; 13.4028; 14.985; 74.755; 84.053; 76.716;  

COD ID: 1516436
CIF file Formula: - C27 H20 B F2 N3 -
Comments: 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 113(36) (2009) 15845
Space group: P 1 21/c 1
Cell volume: 2123.8
Cell parameters: 13.1915; 13.6706; 12.3036; 90; 106.822; 90;  

COD ID: 1516437
CIF file Formula: - C33 H34 Br N2 O10 Re -
Comments: 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 113(27) (2009) 11674
Space group: P -1
Cell volume: 1726.1
Cell parameters: 12.019; 12.068; 13.281; 109.45; 105.58; 93.4;  

COD ID: 1516438
CIF file Formula: - C13 H13 N3 O3 S -
Comments: 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 113(27) (2009) 11725
Space group: C 1 2/c 1
Cell volume: 2816.61
Cell parameters: 29.3274; 6.97802; 16.074; 90; 121.103; 90;  

COD ID: 1516439
CIF file Formula: - C14 H13 N3 O3 S -
Comments: 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 113(27) (2009) 11725
Space group: C 1 2/c 1
Cell volume: 2987.79
Cell parameters: 29.7095; 7.07728; 16.852; 90; 122.519; 90;  

COD ID: 1516440
CIF file Formula: - C16 H18 N3 O3 S -
Comments: 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 113(27) (2009) 11725
Space group: C 1 2/c 1
Cell volume: 3238.63
Cell parameters: 30.9476; 6.97466; 17.6192; 90; 121.616; 90;  

COD ID: 1516441
CIF file Formula: - C15 H13 N3 O3 S -
Comments: 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 113(27) (2009) 11725
Space group: P -1
Cell volume: 771.18
Cell parameters: 7.0287; 8.6449; 13.1179; 93.794; 99.168; 100.054;  

COD ID: 1516442
CIF file Formula: - C48 H39 B Cu F4 N3 O P2 S -
Comments: 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 113(31) (2009) 13968
Space group: P -1
Cell volume: 2353.1
Cell parameters: 12.3282; 12.4191; 17.625; 70.167; 78; 68.64;  

COD ID: 1516443
CIF file Formula: - C48 H37 B Cu F4 N3 O P2 -
Comments: 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 113(31) (2009) 13968
Space group: P 1 21/n 1
Cell volume: 4488.8
Cell parameters: 11.5602; 15.13; 25.815; 90; 96.195; 90;  

COD ID: 1516444
CIF file Formula: - C10 H38 Cl3 La O15 -
Comments: 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 113(1) (2009) 449
Space group: P 21 21 21
Cell volume: 2626
Cell parameters: 10.7084; 15.3419; 15.984; 90; 90; 90;  

COD ID: 1516456
CIF file Formula: - Ca3 Cl2 O4 Si -
Comments: 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 118(23) (2014) 12428
Space group: P 1 21/c 1
Cell volume: 662.752
Cell parameters: 5.912339; 10.201282; 10.988655; 90; 90.3422; 90;  

COD ID: 1516472
CIF file Formula: - C20 H14 O -
Comments: 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 118(23) (2014) 12121
Space group: P 1 21/c 1
Cell volume: 1406.7
Cell parameters: 5.584; 12.995; 19.423; 90; 93.534; 90;  

COD ID: 1516473
CIF file Formula: - C20 H14 O -
Comments: 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 118(23) (2014) 12121
Space group: P 1 2/c 1
Cell volume: 1414.3
Cell parameters: 12.998; 5.59; 20.271; 90; 106.215; 90;  

COD ID: 1516682
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 1040.3
Cell parameters: 14.2395; 6.7738; 11.281; 81.264; 100.378; 101.773;  

COD ID: 1516683
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 577.63
Cell parameters: 6.6779; 7.9256; 11.3415; 89.367; 104.46; 96.321;  

COD ID: 1516684
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 697.86
Cell parameters: 7.0883; 8.5994; 12.0059; 93.486; 105.642; 95.977;  

COD ID: 1516685
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 559.02
Cell parameters: 6.635; 7.7995; 11.2182; 88.437; 104.348; 96.316;  

COD ID: 1516686
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 633.03
Cell parameters: 6.8535; 8.2642; 11.6573; 91.614; 104.921; 96.311;  

COD ID: 1516687
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 598.44
Cell parameters: 6.7392; 8.0591; 11.4641; 90.271; 104.627; 96.329;  

COD ID: 1516688
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 687.2
Cell parameters: 7.0478; 8.5495; 11.9485; 93.201; 105.501; 96.079;  

COD ID: 1516689
CIF file Formula: - C42 H28 -
Comments: 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 118(25) (2014) 13476
Space group: P -1
Cell volume: 542.81
Cell parameters: 6.6162; 7.6757; 11.1002; 87.399; 104.322; 96.289;  

COD ID: 1516695
CIF file Formula: - C19 H23 Cl N2 O4 -
Comments: 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 118(26) (2014) 14082
Space group: P -1
Cell volume: 900
Cell parameters: 7.662; 11.01; 11.473; 90.434; 106.459; 103.436;  

COD ID: 1516696
CIF file Formula: - C26 H27 Cl N2 O6 -
Comments: 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 118(26) (2014) 14082
Space group: P -1
Cell volume: 1173.3
Cell parameters: 7.91; 11.892; 13.602; 76.675; 77.828; 72.459;  

COD ID: 1516697
CIF file Formula: - C23 H27 Cl N2 O4 -
Comments: 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 118(26) (2014) 14082
Space group: C 1 2/c 1
Cell volume: 4264.3
Cell parameters: 30.833; 7.2235; 22.094; 90; 119.936; 90;  

COD ID: 1516698
CIF file Formula: - C25 H30 Cl N3 O4 -
Comments: 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 118(26) (2014) 14082
Space group: P 1 21/n 1
Cell volume: 2280.5
Cell parameters: 8.0856; 12.518; 22.631; 90; 95.377; 90;  

COD ID: 1516699
CIF file Formula: - C23 H25 Cl N2 O4 -
Comments: 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 118(26) (2014) 14082
Space group: P 1 21/n 1
Cell volume: 2140
Cell parameters: 11.101; 16.452; 12.347; 90; 108.375; 90;  

COD ID: 1516700
CIF file Formula: - C28.5 H33 Cl2 N2 O4 S -
Comments: 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 118(26) (2014) 14082
Space group: P -1
Cell volume: 1408.4
Cell parameters: 9.77; 12.728; 13.24; 99.575; 111.36; 105.87;  

COD ID: 1516701
CIF file Formula: - C31.5 H29 Cl N2 O5.125 S -
Comments: 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 118(26) (2014) 14082
Space group: P -1
Cell volume: 1539
Cell parameters: 8.027; 11.283; 17.69; 92.665; 102.552; 99.03;  

COD ID: 1516964
CIF file Formula: - Eu2 Mo3 O12 -
Comments: 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 118(28) (2014) 15404
Space group: C 1 2/c 1
Cell volume: 942.36
Cell parameters: 7.55755; 11.47093; 11.51584; 90; 109.278; 90;  

COD ID: 1517090
CIF file Formula: - C64 H8 F2 N4 S8 Si -
Comments: 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 118(29) (2014) 15610
Space group: P -1
Cell volume: 3027.3
Cell parameters: 9.2539; 14.9631; 22.219; 81.005; 85.178; 88.053;  

COD ID: 1517091
CIF file Formula: - C44 H46 N4 S6 Si -
Comments: 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 118(29) (2014) 15610
Space group: P 1 21/c 1
Cell volume: 4160
Cell parameters: 18.34; 7.326; 31.8; 90; 103.18; 90;  

COD ID: 1517092
CIF file Formula: - C42 H44 N6 S6 Si -
Comments: 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 118(29) (2014) 15610
Space group: P 1 21/n 1
Cell volume: 4063.8
Cell parameters: 18.817; 7.9805; 28.301; 90; 107.018; 90;  

COD ID: 1517093
CIF file Formula: - C64 H72 F2 N4 S8 Si -
Comments: 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 118(29) (2014) 15610
Space group: P -1
Cell volume: 3040.1
Cell parameters: 8.808; 16.279; 22.976; 108.413; 100.019; 95.249;  

COD ID: 1517094
CIF file Formula: - C42 H42 N6 S6 Si -
Comments: 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 118(29) (2014) 15610
Space group: P -1
Cell volume: 2039.9
Cell parameters: 10.4822; 13.6007; 16.4254; 67.272; 88.286; 71.732;  


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