Crystallography Open Database

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1501546 CIFC17 H26 N6 O2P -18.0471; 10.3951; 11.689
67.342; 85.03; 89.545
898.59Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501547 CIFC28 H40 N6 O4C 1 2/c 150.606; 7.9595; 14.0826
90; 95.126; 90
5649.8Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501548 CIFC24 H40 N6 O4P -14.8615; 7.4585; 19.034
83.881; 84.671; 79.308
672.43Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501549 CIFC26 H44 N6 O4P -17.5805; 11.1838; 25.627
94.378; 92.854; 101.374
2119.1Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501550 CIFC16 H24 N6 O2P -18.8653; 9.4282; 10.7014
104.685; 90.861; 98.832
853.62Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501551 CIFC32 H48 N6 O4C 1 2/c 158.554; 7.9545; 14.0407
90; 102.299; 90
6389.6Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501644 CIFC17 H26 N6 O2P -110.3277; 13.405; 13.648
92.13; 106.824; 95.885
1794.6Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D
Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids
The Journal of Physical Chemistry C, 2011, 115, 12908-12919
1501668 CIFC42 H48 Cl Eu N2 O11P -112.1445; 13.1978; 14.8062
110.115; 106.619; 90.128
2121.92Huang, Xiaoguang; Wang, Qin; Yan, Xuhuan; Xu, Jun; Liu, Weisheng; Wang, Qing; Tang, Yu
Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid Matrix for High Performance Luminescence Application
The Journal of Physical Chemistry C, 2011, 115, 2332
1501674 CIFC5 H11 F3 N2P -17.357; 8.151; 8.444
59.374; 61.691; 65.709
373.9Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika
Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids
The Journal of Physical Chemistry C, 2011, 115, 4324
1501675 CIFC5 H12 F4 N2P 1 21/n 15.598; 10.6076; 14.5523
90; 92.713; 90
863.17Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika
Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids
The Journal of Physical Chemistry C, 2011, 115, 4324
1501680 CIFC50 H46 N4 O4 S4P 1 21/c 117.756; 21.9782; 11.5593
90; 100.667; 90
4433Zhang, Fen; Roznyatovskiy, Vladimir; Fan, Fu-Ren F.; Lynch, Vincent; Sessler, Jonathan L.; Bard, Allen J.
A Method for Rapid Screening of Photosensitizers by Scanning Electrochemical Microscopy (SECM) and the Synthesis and Testing of a Porphyrin Sensitizer
The Journal of Physical Chemistry C, 2011, 115, 2592
1501681 CIFC196 H128 Cl8P 1 21/c 111.849; 17.35; 21.055
90; 121.146; 90
3704.5Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo
Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes
The Journal of Physical Chemistry C, 2011, 115, 4872
1501684 CIFB10 H30 Mg O10C 1 2/c 114.22; 16.974; 15.099
90; 92.46; 90
3641.1Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng
Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O
The Journal of Physical Chemistry C, 2011, 115, 11793
1501697 CIFC21 H25 N SiP -110.7935; 11.3034; 16.2004
107.802; 93.422; 95.478
1865Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro
Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State
The Journal of Physical Chemistry C, 2011, 115, 11265
1501698 CIFC27 H26 F3 N SiP 21 21 218.0586; 14.782; 20.24
90; 90; 90
2411Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro
Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State
The Journal of Physical Chemistry C, 2011, 115, 11265
1501717 CIFC22 H30 N4 O2P -16.9676; 8.345; 9.765
79.75; 70.26; 83.19
524.8Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun
Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor–Acceptor (D–A) Attached Salicylaldehyde Azine Derivatives
The Journal of Physical Chemistry C, 2011, 115, 14353
1501718 CIFC22 H30 N4 O2P 1 21/n 112.055; 6.5584; 13.381
90; 95.95; 90
1052.2Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun
Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor–Acceptor (D–A) Attached Salicylaldehyde Azine Derivatives
The Journal of Physical Chemistry C, 2011, 115, 14353
1501743 CIFC29 H17 NP 1 21/c 112.102; 6.175; 25.167
90; 92.532; 90
1878.9Xin, Qian; Duhm, Steffen; Hosoumi, Shunsuke; Ueno, Nobuo; Tao, Xu-tang; Kera, Satoshi
Impact of Nitrogen Substitution and Molecular Orientation on the Energy-Level Alignment of Heteroacene Films
The Journal of Physical Chemistry C, 2011, 115, 15502
1501757 CIFB3 Ce Cl D12 LiI -4 3 m11.5917; 11.5917; 11.5917
90; 90; 90
1557.55Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.
Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl
The Journal of Physical Chemistry C, 2011, 115, 23591
1501758 CIFB3 Ce Cl D12 LiI -4 3 m11.665; 11.665; 11.665
90; 90; 90
1587.3Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.
Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl
The Journal of Physical Chemistry C, 2011, 115, 23591
1501768 CIFC18 H19 N3 OP -16.556; 7.697; 17.438
93.754; 97.256; 116.531
773.58Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle
Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores
The Journal of Physical Chemistry C, 2011, 115, 23955
1501769 CIFC18 H19 N3P -17.6934; 9.7091; 11.3685
84.576; 73.338; 75.881
788.67Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle
Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores
The Journal of Physical Chemistry C, 2011, 115, 23955
1501773 CIFC22 H12 S4C 1 2/c 138.113; 5.8256; 7.8705
90; 93.77; 90
1743.7Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi
Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors
The Journal of Physical Chemistry C, 2011, 115, 23984
1502688 CIFC8 Cr D4 O5I m c m16.772; 13.145; 6.847
90; 90; 90
1509.5Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.
Hydrogen in the Metal−Organic Framework Cr MIL-53
The Journal of Physical Chemistry C, 2010, 114, 10648
1502689 CIFAlF m -3 m4.0339; 4.0339; 4.0339
90; 90; 90
65.641Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.
Hydrogen in the Metal−Organic Framework Cr MIL-53
The Journal of Physical Chemistry C, 2010, 114, 10648
1502690 CIFO2.06 SiC 1 2/m 118.6386; 13.49476; 7.63047
90; 101.616; 90
1879.94Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël
Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion
The Journal of Physical Chemistry C, 2010, 114, 11650
1502691 CIFO2.27 SiC 1 2/m 118.60462; 13.49472; 7.60745
90; 101.425; 90
1872.11Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël
Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion
The Journal of Physical Chemistry C, 2010, 114, 11650
1502696 CIFC16 H12 Br N3 SP -17.012; 8.204; 13.839
99.83; 104.43; 103.92
725.5Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang
Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole
The Journal of Physical Chemistry C, 2010, 114, 15109
1502697 CIFC24 H18 N6 SI b a 220.712; 24.812; 7.977
90; 90; 90
4099Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang
Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole
The Journal of Physical Chemistry C, 2010, 114, 15109
1502698 CIFC21 H22 N4 SP -17.796; 11.103; 11.989
116.03; 94.517; 90.441
928.6Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang
Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole
The Journal of Physical Chemistry C, 2010, 114, 15109
1502699 CIFC16 H13 N3 SP 1 21/c 19.245; 7.1205; 20.631
90; 98.268; 90
1344Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang
Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole
The Journal of Physical Chemistry C, 2010, 114, 15109
1502711 CIFC134 H56 Gd3 N5 NiC 1 2/m 125.2056; 15.4634; 19.9594
90; 92.52; 90
7771.9Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis
Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes
The Journal of Physical Chemistry C, 2010, 114, 13003
1502712 CIFC50 H24 Cl4 Mn N8C 1 2/c 119.4543; 10.1426; 22.8662
90; 92.539; 90
4507.5Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.
Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†
The Journal of Physical Chemistry C, 2010, 114, 20614
1502713 CIFC50 H24 Cl4 Mn N8P 1 21/n 19.5196; 10.7091; 22.28
90; 92.8788; 90
2268.5Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.
Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†
The Journal of Physical Chemistry C, 2010, 114, 20614
1502719 CIFC107 H47 BrP 1 21/a 120.2439; 14.5966; 21.7947
90; 100.403; 90
6334.3Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi
Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property
The Journal of Physical Chemistry C, 2010, 114, 17741
1502720 CIFC266 H120 O2 S4P -117.009; 22.21; 22.825
99.68; 104.3; 90.07
8228.22Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi
Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property
The Journal of Physical Chemistry C, 2010, 114, 17741
1502734 CIFC44 H30R -3 :H39.1553; 39.1553; 11.16743
90; 90; 120
14827.4Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang
Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride
The Journal of Physical Chemistry C, 2010, 114, 18702
1502735 CIFC60 H42P 1 21/n 110.5356; 9.7161; 41.525
90; 94.721; 90
4236.3Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang
Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride
The Journal of Physical Chemistry C, 2010, 114, 18702
1502738 CIFC21 H24 F6 N3 O3 P SP -19.4565; 11.8283; 11.8421
73.341; 67.179; 76.833
1159.42Hrobárik, Peter; Sigmundová, Ivica; Zahradník, Pavol; Kasák, Peter; Arion, Vladimir; Franz, Edith; Clays, Koen
Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses?
The Journal of Physical Chemistry C, 2010, 114, 22289
1502751 CIFC18 H21 N3 O4P -18.04668; 9.35578; 11.91507
102.436; 103.177; 98.6481
833.92Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.
Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques
The Journal of Physical Chemistry C, 2010, 114, 580
1502752 CIFC18 H21 N3 O4C 1 2/c 114.0496; 11.80399; 20.9323
90; 100.936; 90
3408.4Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.
Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques
The Journal of Physical Chemistry C, 2010, 114, 580
1502753 CIFC60 H55 N3 O2 S2P -112.5499; 14.0994; 14.8676
88.659; 71.166; 80.833
2457Balaji, Ganapathy; Parameswaran, Manoj; Jin, Tan Mein; Vijila, Chellappan; Furong, Zhu; Valiyaveettil, Suresh
Synthesis and Hole-Transporting Properties of Highly FluorescentN-Aryl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Oligomers
The Journal of Physical Chemistry C, 2010, 114, 4628
1502757 CIFC15 H10 O2P 1 21/n 13.89; 9.37; 29.06
90; 90.64; 90
1059.2Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone
Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation
The Journal of Physical Chemistry C, 2010, 114, 4142
1502758 CIFC15 H10 O2P 1 21/n 13.9; 9.37; 29.07
90; 90.64; 90
1062.2Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone
Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation
The Journal of Physical Chemistry C, 2010, 114, 4142
1502767 CIFC34 H30 N4 OP 1 21/n 118.382; 5.7303; 25.034
90; 92.7; 90
2634Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang
Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds
The Journal of Physical Chemistry C, 2010, 114, 2925
1507134 CIFB3 H12 K ZnR 3 :H7.6291; 7.6291; 10.977
90; 90; 120
553.3Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R.
Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions
The Journal of Physical Chemistry C, 2012, 116, 1563
1507135 CIFB1.89 Cl2.11 H16 K2 ZnP 1 21/n 112.3628; 9.1099; 7.3394
90; 95.737; 90
822.5Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R.
Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions
The Journal of Physical Chemistry C, 2012, 116, 1563
1507790 CIFC26 H26 O8P -19.3227; 10.6215; 13.2099
76.492; 69.406; 78.765
1181.44Zhou, Hui; Maris, Thierry; Wuest, James D.
Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids
The Journal of Physical Chemistry C, 2012, 116, 13052
1507791 CIFC34 H30 O8P -19.0092; 9.5914; 10.1026
70.319; 66.113; 65.792
712.59Zhou, Hui; Maris, Thierry; Wuest, James D.
Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids
The Journal of Physical Chemistry C, 2012, 116, 13052
1507792 CIFC41 H35 Cl3 O8P 1 21 110.2725; 15.2009; 23.731
90; 95.896; 90
3686.02Zhou, Hui; Maris, Thierry; Wuest, James D.
Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids
The Journal of Physical Chemistry C, 2012, 116, 13052
1507793 CIFC44 H36 Cl6 O8P -19.0194; 10.271; 13.3188
67.405; 73.348; 64.216
1015.07Zhou, Hui; Maris, Thierry; Wuest, James D.
Using Systematic Comparisons of 2D and 3D Structures To Reveal Principles of Molecular Organization. Tetraesters of Linear Bisisophthalic Acids
The Journal of Physical Chemistry C, 2012, 116, 13052
1507794 CIFC16 H18 S4 SiC 1 2/c 112.2489; 9.598; 31.693
90; 96.914; 90
3698.9Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique
Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films
The Journal of Physical Chemistry C, 2012, 116, 12093
1507795 CIFC13 H10 S4P 1 21/n 17.514; 7.9218; 22.6337
90; 93.267; 90
1345.1Yzambart, Gilles; Fabre, Bruno; Camerel, Franck; Roisnel, Thierry; Lorcy, Dominique
Controlled Grafting of Tetrathiafulvalene (TTF) Containing Diacetylenic Units on Hydrogen-Terminated Silicon Surfaces: From Redox-Active TTF Monolayer to Polymer Films
The Journal of Physical Chemistry C, 2012, 116, 12093
1507796 CIFC24 H12 N12 O25 Zn6P a -320.123; 20.123; 20.123
90; 90; 90
8148.5Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Hydrogen Storage in New Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2012, 116, 13143
1507797 CIFC24 H12 Cu9 N12 O23F m -3 m42.606; 42.606; 42.606
90; 90; 90
77341Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Hydrogen Storage in New Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2012, 116, 13143
1507798 CIFC48 H72 B6 N12 O13 Zn4F m -3 m33.41; 33.41; 33.41
90; 90; 90
37293Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Hydrogen Storage in New Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2012, 116, 13143
1507799 CIFC48 H24 O13 Zn4P 42/n c m :219.7213; 19.7213; 39.411
90; 90; 90
15328.1Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Hydrogen Storage in New Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2012, 116, 13143
1507800 CIFC54 H24 O13 Zn4P 32 1 231.114; 31.114; 39.28
90; 90; 120
32932Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.
Hydrogen Storage in New Metal‒Organic Frameworks
The Journal of Physical Chemistry C, 2012, 116, 13143
1507801 CIFC49 H37 N2 O5P -110.4825; 12.3742; 16.3558
83.7391; 86.7693; 68.5231
1962.16Cheriya, Rijo T.; Joy, Jimmy; Alex, Andrews P.; Shaji, Anil; Hariharan, Mahesh
Energy Transfer in Near-Orthogonally Arranged Chromophores Separated through a Single Bond
The Journal of Physical Chemistry C, 2012, 116, 12489
1508260 CIFC24 H16 N2P n a 2119.5; 6.929; 26.031
90; 90; 90
3517Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang
Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission
The Journal of Physical Chemistry C, 2012, 116, 15146
1508268 CIFC58 Cr6 K2 N6 O70 Si W12C 1 2/c 132.2759; 25.4517; 13.9332
90; 110.053; 90
10751.9Eguchi, Ryo; Uchida, Sayaka; Mizuno, Noritaka
Highly Selective Sorption and Separation of CO2from a Gas Mixture of CO2and CH4at Room Temperature by a Zeolitic Organic‒Inorganic Ionic Crystal and Investigation of the Interaction with CO2
The Journal of Physical Chemistry C, 2012, 116, 16105
1508526 CIFC3 H7 O5 PP 1 21/n 15.77; 5.3158; 20.0297
90; 94.956; 90
612.06Blanchard, John W.; Groy, Thomas L.; Yarger, Jeffery L.; Holland, Gregory P.
Investigating Hydrogen-Bonded Phosphonic Acids with Proton Ultrafast MAS NMR and DFT Calculations
The Journal of Physical Chemistry C, 2012, 116, 18824
1508527 CIFLa0.6 O7 Si2 Y1.4P 1 21/c 15.40134; 8.6917; 14.09262
90; 112.636; 90
610.638Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.
Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
The Journal of Physical Chemistry C, 2012, 116, 21523
1508528 CIFLa0.6 O7 Si2 Y1.4P 1 21/c 15.381678; 8.60257; 14.03235
90; 113.212; 90
597.06Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.
Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
The Journal of Physical Chemistry C, 2012, 116, 21523
1508529 CIFLa0.9 O7 Si2 Y1.1P 1 21/c 15.379664; 8.581892; 14.03969
90; 113.369; 90
595.01Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.
Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
The Journal of Physical Chemistry C, 2012, 116, 21523
1508530 CIFLa0.6 O7 Si2 Y1.4P 1 21/c 15.37478; 8.54709; 14.0561
90; 113.637; 90
591.545Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.
Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
The Journal of Physical Chemistry C, 2012, 116, 21523
1508531 CIFLa0.2 O7 Si2 Y1.8P n a m13.74372; 5.02936; 8.20701
90; 90; 90
567.286Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.
Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
The Journal of Physical Chemistry C, 2012, 116, 21523
1508532 CIFLa0.2 O7 Si2 Y1.8P n a m13.70483; 5.02519; 8.17844
90; 90; 90
563.244Fernández-Carrión, A. J.; Allix, M.; Florian, P.; Suchomel, M. R.; Becerro, A. I.
Revealing Structural Detail in the High Temperature La2Si2O7‒Y2Si2O7Phase Diagram by Synchrotron Powder Diffraction and Nuclear Magnetic Resonance Spectroscopy
The Journal of Physical Chemistry C, 2012, 116, 21523
1508533 CIFB4 H16 ZrP -4 3 m5.8387; 5.8387; 5.8387
90; 90; 90
199.04Rude, Line H.; Corno, Marta; Ugliengo, Piero; Baricco, Marcello; Lee, Young-Su; Cho, Young Whan; Besenbacher, Flemming; Overgaard, Jacob; Jensen, Torben R.
Synthesis and Structural Investigation of Zr(BH4)4
The Journal of Physical Chemistry C, 2012, 116, 20239
1508534 CIFC38 H44 O4P -19.4067; 10.9795; 15.662
86.97; 85.99; 88.859
1611.2Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong
Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli
The Journal of Physical Chemistry C, 2012, 116, 21967
1508535 CIFC42 H52 O4P 1 21/c 19.5229; 12.0451; 32.149
90; 99.557; 90
3636.4Luo, Xiaoliang; Zhao, Weijun; Shi, Junqing; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yong Qiang; Tang, Ben Zhong
Reversible Switching Emissions of Tetraphenylethene Derivatives among Multiple Colors with Solvent Vapor, Mechanical, and Thermal Stimuli
The Journal of Physical Chemistry C, 2012, 116, 21967
1508536 CIFC49 H37 N2 O5P -110.4825; 12.3742; 16.3558
83.7391; 86.7693; 68.5231
1962.16Cheriya, Rijo T.; Joy, Jimmy; Rajagopal, Shinaj K.; Nagarajan, Kalaivanan; Hariharan, Mahesh
DNA-Enforced Conformational Restriction of an Atropisomer
The Journal of Physical Chemistry C, 2012, 116, 22631
1508537 CIFC84 H36 F8 N8P -17.2802; 19.228; 22.545
112.045; 90.085; 94.351
2915.2Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo
Generation and Diffusion of Photocarriers in Molecular Donor–Acceptor Systems: Dependence on Charge-Transfer Gap Energy
The Journal of Physical Chemistry C, 2012, 116, 23957
1508538 CIFC28 H24 N6P 1 21/n 16.7481; 21.891; 8.1279
90; 100.229; 90
1181.6Tsutsumi, Jun’ya; Matsui, Hiroyuki; Yamada, Toshikazu; Kumai, Reiji; Hasegawa, Tatsuo
Generation and Diffusion of Photocarriers in Molecular Donor–Acceptor Systems: Dependence on Charge-Transfer Gap Energy
The Journal of Physical Chemistry C, 2012, 116, 23957
1508823 CIFC48 H53 N O7 PtP 1 21/c 118.3993; 8.58214; 27.5862
90; 106.182; 90
4183.4Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki
Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand
The Journal of Physical Chemistry C, 2013, 117, 532
1508824 CIFC28 H29 N O3 PtP 1 21/c 18.8407; 17.8439; 31.9076
90; 92.0189; 90
5030.4Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki
Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand
The Journal of Physical Chemistry C, 2013, 117, 532
1508919 CIFC49 H37 N2 O5P -110.4825; 12.3742; 16.3558
83.7391; 86.7693; 68.5231
1962.16Cheriya, Rijo T.; Nagarajan, Kalaivanan; Hariharan, Mahesh
Single-Component Organic Light-Harvesting Red Luminescent Crystal
The Journal of Physical Chemistry C, 2013, 117, 3240
1508920 CIFC28 H24 N2 O4P 1 21/c 111.125; 21.323; 10.4804
90; 107.093; 90
2376.3Wei, Ruirui; Song, Panshu; Tong, Aijun
Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence
The Journal of Physical Chemistry C, 2013, 117, 3467
1508921 CIFC28 H24 N2 O4C 1 2/c 119.228; 12.902; 21.509
90; 118.55; 90
4687.1Wei, Ruirui; Song, Panshu; Tong, Aijun
Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence
The Journal of Physical Chemistry C, 2013, 117, 3467
1511784 CIFC8 H8 B F2 Li N2 O4P 1 21/m 16.1948; 15.6492; 6.2164
90; 113.897; 90
550.98Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511785 CIFC4 H3 B F2 Li N O4P n m a8.0325; 6.1722; 14.8786
90; 90; 90
737.65Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511786 CIFC8 H9 B F2 Li N3 O4P n m a8.0286; 6.3995; 24.6301
90; 90; 90
1265.47Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511787 CIFC84 H144 B6 F12 Li6 N8 O48P 1 21/c 121.957; 12.906; 25.723
90; 122.419; 90
6153Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511788 CIFC13 H18 B2 F4 Li2 O17P 1 21/n 18.1606; 10.7284; 12.8309
90; 94.6107; 90
1119.71Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511789 CIFC22 H42 B2 F4 Li2 O14P 18.554; 8.841; 12.929
93.573; 108.72; 114.576
820.1Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511790 CIFC10 H20 B F2 Li O8C 1 2/c 125.731; 8.467; 16.921
90; 118.327; 90
3245Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511791 CIFC6 H6 B F2 Li O7P 1 21/m 16.443; 6.2831; 12.1294
90; 97.91; 90
486.35Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511792 CIFC11 H23 B F2 Li N3 O4P 1 21/c 113.626; 8.717; 18.413
90; 130.986; 90
1650.9Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511793 CIFC6 H4 B F2 Li N2 O4P n m a8.58; 7.781; 13.926
90; 90; 90
929.7Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.
Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
The Journal of Physical Chemistry C, 2013, 117, 5521
1511794 CIFC38 H45 B F2 N2P 1 21/c 114.0557; 11.4779; 19.3737
90; 98.905; 90
3087.9Vu, Thanh Truc; Dvorko, Marina; Schmidt, Elena Y.; Audibert, Jean-Frédéric; Retailleau, Pascal; Trofimov, Boris A.; Pansu, Robert B.; Clavier, Gilles; Méallet-Renault, Rachel
Understanding the Spectroscopic Properties and Aggregation Process of a New Emitting Boron Dipyrromethene (BODIPY)
The Journal of Physical Chemistry C, 2013, 117, 5373
1511795 CIFC14 H8 O2 S3P c a 2127.724; 3.8968; 11.6473
90; 90; 90
1258.31Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.
Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules
The Journal of Physical Chemistry C, 2013, 117, 6022
1511796 CIFC10 H6 O2 S2P 1 21/c 17.2737; 4.7577; 13.719
90; 96.938; 90
471.28Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.
Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules
The Journal of Physical Chemistry C, 2013, 117, 6022
1511797 CIFC16 H8 O4 S3P 1 21/c 117.4433; 7.3062; 11.3446
90; 92.185; 90
1444.75Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.
Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules
The Journal of Physical Chemistry C, 2013, 117, 6022
1511798 CIFC62 H72 N6 S8 SiC 1 2/c 139.3141; 15.2065; 10.3691
90; 103.575; 90
6025.8Zhugayevych, Andriy; Postupna, Olena; Bakus II, Ronald C.; Welch, Gregory C.; Bazan, Guillermo C.; Tretiak, Sergei
Ab Initio Study of a Molecular Crystal for Photovoltaics: Light Absorption, Exciton and Charge Carrier Transport
The Journal of Physical Chemistry C, 2013, 117, 4920
1511799 CIFC3.665 D45.54 O30.33P m -3 n11.8679; 11.8679; 11.8679
90; 90; 90
1671.56Falenty, A.; Salamatin, A. N.; Kuhs, W. F.
Kinetics of CO2-Hydrate Formation from Ice Powders: Data Summary and Modeling Extended to Low Temperatures
The Journal of Physical Chemistry C, 2013, 117, 8443
1511800 CIFC12 H7 O P S3P 1 21/c 110.076; 8.291; 14.934
90; 99.516; 90
1230.42Ren, Yi; Biegger, Felix; Baumgartner, Thomas
Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes
The Journal of Physical Chemistry C, 2013, 117, 4748
1511801 CIFC3 H8P 1 21/n 13.8208; 11.912; 6.388
90; 91.11; 90
290.7Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej
Why Propane?
The Journal of Physical Chemistry C, 2013, 117, 4759
1511802 CIFC3 H8P 1 21/n 13.8036; 11.858; 6.3628
90; 91.083; 90
286.9Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej
Why Propane?
The Journal of Physical Chemistry C, 2013, 117, 4759
1511803 CIFC3 H8P 1 21/n 13.7895; 11.825; 6.34
90; 91.096; 90
284Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej
Why Propane?
The Journal of Physical Chemistry C, 2013, 117, 4759
1511804 CIFC3 H8P 1 21/n 13.7633; 11.778; 6.305
90; 90.85; 90
279.4Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej
Why Propane?
The Journal of Physical Chemistry C, 2013, 117, 4759

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