Crystallography Open Database

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Searching journal of publication like 'The journal of physical chemistry letters'

Formula: - C16 H40 Cl7 In N4 O0 S4 -
Comments: Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb3+-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters (2021) 3288-3294
Space group: C 1 2/c 1
Cell volume: 3046.3
Cell parameters: 20.9774; 10.1284; 14.5479; 90; 99.752; 90;

COD ID: 1561274

CIF file

Formula: - C12 H27 Cl5 In N2 O S2 -
Comments: Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb3+-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters (2021) 3288-3294
Space group: P 1 21/n 1
Cell volume: 2196.34
Cell parameters: 11.7611; 12.5257; 15.0163; 90; 96.853; 90;

COD ID: 1561275

CIF file

Formula: - C14 H36 Cl6 In N3 O S3 -
Comments: Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb3+-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters (2021) 3288-3294
Space group: P -1
Cell volume: 1354.53
Cell parameters: 7.7233; 11.6526; 15.1865; 82.98; 87.09; 88.651;

COD ID: 1561276

CIF file

Formula: - C16 H40 Cl7 In0.93 N4 S4 Sb0.07 -
Comments: Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb3+-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters (2021) 3288-3294
Space group: C 1 2/c 1
Cell volume: 3070.9
Cell parameters: 21.0254; 10.1582; 14.5931; 90; 99.846; 90;

COD ID: 8000074

CIF file

Formula: - C23 H16 O2 S2 -
Comments: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters 2(6) (2011) 648
Space group: P c c n
Cell volume: 1851.87
Cell parameters: 5.9686; 13.7161; 22.6208; 90; 90; 90;

COD ID: 8000075

CIF file

Formula: - C21 H12 O S2 -
Comments: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters 2(6) (2011) 648
Space group: P 1 2/c 1
Cell volume: 784.43
Cell parameters: 16.9741; 6.496; 7.1152; 90; 91.0088; 90;

COD ID: 8000076

CIF file

Formula: - C24 H12 N2 S2 -
Comments: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters 2(6) (2011) 648
Space group: P 1 21/c 1
Cell volume: 1892.95
Cell parameters: 14.8678; 7.5297; 16.9934; 90; 95.7169; 90;

COD ID: 8000077

CIF file

Formula: - C23 H6 F10 O2 S2 -
Comments: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters 2(6) (2011) 648
Space group: P -1
Cell volume: 1037.15
Cell parameters: 8.8519; 9.6987; 13.1288; 70.3916; 78.2754; 82.4345;

COD ID: 8000078

CIF file

Formula: - C24 H2 F10 N2 S2 -
Comments: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters 2(6) (2011) 648
Space group: P 1 21/n 1
Cell volume: 4223.2
Cell parameters: 16.8693; 7.6992; 32.7451; 90; 96.783; 90;

COD ID: 8000079

CIF file

Formula: - C23 H11 F5 O2 S2 -
Comments: Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters 2(6) (2011) 648
Space group: P -1
Cell volume: 963.8
Cell parameters: 8.3262; 9.9514; 12.7866; 112.274; 99.195; 91.288;

COD ID: 8000080
CIF file	Formula: - C33 H30 F6 N2 - Comments: Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound The Journal of Physical Chemistry Letters 2(6) (2011) 666 Space group: P 1 c 1 Cell volume: 1418.6 Cell parameters: 6.2952; 13.29; 17.297; 90; 101.4; 90;

COD ID: 8000081

CIF file

Formula: - C13 H15 N4 O6 -
Comments: Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals The Journal of Physical Chemistry Letters 2(24) (2011) 3036
Space group: P 41
Cell volume: 1483.71
Cell parameters: 10.6905; 10.6905; 12.9823; 90; 90; 90;

COD ID: 8000082

CIF file

Formula: - C13 H15 N4 O6 -
Comments: Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals The Journal of Physical Chemistry Letters 2(24) (2011) 3036
Space group: P 43
Cell volume: 1482.63
Cell parameters: 10.6835; 10.6835; 12.9899; 90; 90; 90;

COD ID: 8000083

CIF file

Formula: - C10 H7 N O3 -
Comments: Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction The Journal of Physical Chemistry Letters 2(24) (2011) 3063
Space group: P 1 21/n 1
Cell volume: 777.14
Cell parameters: 5.2307; 9.6701; 15.5374; 90; 98.565; 90;

COD ID: 8000197
CIF file	Formula: - C144 H162 Ag6.66 Au18.34 S18 - Comments: Kumara, Chanaka; Aikens, Christine M.; Dass, Amala X-ray Crystal Structure and Theoretical Analysis of Au25‒xAgx(SCH2CH2Ph)18‒Alloy The Journal of Physical Chemistry Letters 5(3) (2014) 461 Space group: P -1 Cell volume: 4776 Cell parameters: 16.191; 17.244; 18.613; 105.871; 106.252; 90.74;

COD ID: 8000198

CIF file

Formula: - C14 H12.8 N4 O1.4 -
Comments: Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond The Journal of Physical Chemistry Letters 5(1) (2014) 92
Space group: P 1 21/c 1
Cell volume: 1302.8
Cell parameters: 8.761; 16.167; 9.689; 90; 108.314; 90;

COD ID: 8000199

CIF file

Formula: - C14 H12 N4 O -
Comments: Fang, Xinxiu; Wang, Yan; Wang, Dan; Zhao, Guiyan; Zhang, Wenwen; Ren, Aimin; Wang, Haiyu; Xu, Jingwei; Gao, Bing-Rong; Yang, Wei Synthesized Blue Fluorescent Protein Analogue with Tunable Colors from Excited-State Intramolecular Proton Transfer through an N‒H···N Hydrogen Bond The Journal of Physical Chemistry Letters 5(1) (2014) 92
Space group: P -1
Cell volume: 621.42
Cell parameters: 7.5326; 9.6002; 10.1649; 99.619; 109.189; 109.599;

COD ID: 8000200

CIF file

Formula: - C14 H3 F7 O2 -
Comments: Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters 5(9) (2014) 1560
Space group: P 21 21 21
Cell volume: 1162.5
Cell parameters: 4.4782; 11.8813; 21.849; 90; 90; 90;

COD ID: 8000201

CIF file

Formula: - C44 Cs Er F52 O8 -
Comments: Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters 5(9) (2014) 1560
Space group: P n n a
Cell volume: 5426.9
Cell parameters: 26.1476; 14.1409; 14.6773; 90; 90; 90;

COD ID: 8000202

CIF file

Formula: - C58 H14 Cs Er F28 O8 -
Comments: Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters 5(9) (2014) 1560
Space group: C 1 2/c 1
Cell volume: 5280.3
Cell parameters: 26.905; 8.464; 24.2743; 90; 107.21; 90;

COD ID: 8000203

CIF file

Formula: - C56 Cs Er F28 O12 -
Comments: Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B. Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes The Journal of Physical Chemistry Letters 5(9) (2014) 1560
Space group: P -1
Cell volume: 2643.1
Cell parameters: 13.2677; 14.96; 15.5993; 99.293; 101.038; 115.265;

COD ID: 8000204
CIF file	Formula: - C47 H33 Cl3 N4 - Comments: Harada, Yuka; Hatano, Sayaka; Kimoto, Atsushi; Abe, Jiro Remarkable Acceleration for Back-Reaction of a Fast Photochromic Molecule The Journal of Physical Chemistry Letters 1(7) (2010) 1112 Space group: P -1 Cell volume: 1847.8 Cell parameters: 12.347; 13.031; 13.621; 107.495; 115.25; 93.094;

COD ID: 8000205

CIF file

Formula: - C21 H18 B F4 N O -
Comments: Nishizaka, Masaki; Mori, Tadashi; Inoue, Yoshihisa Experimental and Theoretical Studies on the Chiroptical Properties of Donor−Acceptor Binaphthyls. Effects of Dynamic Conformer Population on Circular Dichroism The Journal of Physical Chemistry Letters 1(12) (2010) 1809
Space group: P -1
Cell volume: 934.87
Cell parameters: 7.8888; 10.6684; 12.2654; 81.87; 78.907; 67.749;

COD ID: 8000206

CIF file

Formula: - C46 H54 O2 S4 -
Comments: Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents The Journal of Physical Chemistry Letters 5(13) (2014) 2171
Space group: P -1
Cell volume: 1060.1
Cell parameters: 5.8691; 14.2212; 14.2606; 113.921; 100.286; 93.039;

COD ID: 8000207

CIF file

Formula: - C23 H27 O S2 -
Comments: Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents The Journal of Physical Chemistry Letters 5(13) (2014) 2171
Space group: P -1
Cell volume: 2130
Cell parameters: 10.0773; 12.626; 17.705; 82.176; 77.112; 76.89;

COD ID: 8000208

CIF file

Formula: - C32 H36 N2 -
Comments: Chen, Jinlong; Ma, Suqian; Zhang, Jibo; Wang, Lijuan; Ye, Ling; Li, Bao; Xu, Bin; Tian, Wenjing Proton-Triggered Hypsochromic Luminescence in 1,1′-(2,5-Distyryl-1,4-phenylene) Dipiperidine The Journal of Physical Chemistry Letters 5(16) (2014) 2781
Space group: P -1
Cell volume: 620.3
Cell parameters: 6.202; 8.602; 12.334; 83.36; 79.79; 73.78;

COD ID: 8000214

CIF file

Formula: - C68 H46 S6 -
Comments: Ie, Yutaka; Tanaka, Kazunari; Tashiro, Aya; Lee, See Kei; Testai, Henrique Rosa; Yamada, Ryo; Tada, Hirokazu; Aso, Yoshio Thiophene-based Tripodal Anchor Units for Hole Transport in Single-Molecule Junctions with Gold Electrodes. The journal of physical chemistry letters 6(18) (2015) 3754-3759
Space group: P 1 21/c 1
Cell volume: 2608.9
Cell parameters: 14.1274; 7.4879; 24.8944; 90; 97.826; 90;

COD ID: 8000227

CIF file

Formula: - C66 H78 O6 -
Comments: Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies. The journal of physical chemistry letters 7(5) (2016) 783-788
Space group: P 21 21 21
Cell volume: 5660.16
Cell parameters: 10.73807; 18.8417; 27.9758; 90; 90; 90;

COD ID: 8000228

CIF file

Formula: - C48 H42 O6 -
Comments: Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies. The journal of physical chemistry letters 7(5) (2016) 783-788
Space group: C 1 c 1
Cell volume: 3785.5
Cell parameters: 14.5496; 25.3475; 10.4535; 90; 100.915; 90;

COD ID: 8000231

CIF file

Formula: - C37 H39 N2 O2 -
Comments: Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives. The journal of physical chemistry letters 7(16) (2016) 3067-3072
Space group: P n a 21
Cell volume: 3132.9
Cell parameters: 22.9575; 13.5678; 10.0581; 90; 90; 90;

COD ID: 8000232

CIF file

Formula: - C51 H51.42 N2 O -
Comments: Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives. The journal of physical chemistry letters 7(16) (2016) 3067-3072
Space group: P -1
Cell volume: 3986.8
Cell parameters: 14.2277; 17.004; 17.1275; 95.533; 91.1547; 104.605;

COD ID: 8000233

CIF file

Formula: - I6 N8 Pb2 -
Comments: G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D. Is CH3NH3PbI3 Polar? The journal of physical chemistry letters 7(13) (2016) 2412-2419
Space group: I 4/m c m
Cell volume: 984.1
Cell parameters: 8.8117; 8.8117; 12.674; 90; 90; 90;

COD ID: 8000234

CIF file

Formula: - C H6 I3 N Pb -
Comments: G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D. Is CH3NH3PbI3 Polar? The journal of physical chemistry letters 7(13) (2016) 2412-2419
Space group: P n m a
Cell volume: 963.58
Cell parameters: 8.8767; 12.64; 8.5879; 90; 90; 90;

COD ID: 8000235

CIF file

Formula: - C34 H29.5 N2 O4 -
Comments: Austin, Ashli; Hestand, Nicholas J.; McKendry, Ian G.; Zhong, Chuwei; Zhu, Xuanyu; Zdilla, Michael J.; Spano, Frank C.; Szarko, Jodi M. Enhanced Davydov Splitting in Crystals of a Perylene Diimide Derivative. The journal of physical chemistry letters (2017) 1118-1123
Space group: P 1 21/c 1
Cell volume: 5157.9
Cell parameters: 33.897; 7.329; 21.104; 90; 100.329; 90;

COD ID: 8000236

CIF file

Formula: - C120 H220 Au28 S20 -
Comments: Higaki, Tatsuya; Liu, Chong; Chen, Yuxiang; Zhao, Shuo; Zeng, Chenjie; Jin, Renxi; Wang, Shuxin; Rosi, Nathaniel L.; Jin, Rongchao Oxidation-Induced Transformation of Eight-Electron Gold Nanoclusters: [Au23(SR)16](-) to [Au28(SR)20](0). The journal of physical chemistry letters 8(4) (2017) 866-870
Space group: C c c a :2
Cell volume: 19814.6
Cell parameters: 26.4855; 34.211; 21.8681; 90; 90; 90;

COD ID: 8000237
CIF file	Formula: - C18 H16 O4 S - Comments: Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry Ingredients to TICT Formation in Donor Substituted Hemithioindigo. The journal of physical chemistry letters 8(7) (2017) 1585-1592 Space group: C 1 2/c 1 Cell volume: 3030.3 Cell parameters: 21.8001; 9.0461; 19.7453; 90; 128.902; 90;

COD ID: 8000238
CIF file	Formula: - C18 H16 O S - Comments: Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry Ingredients to TICT Formation in Donor Substituted Hemithioindigo. The journal of physical chemistry letters 8(7) (2017) 1585-1592 Space group: P 1 21/n 1 Cell volume: 1460.64 Cell parameters: 13.5107; 8.4433; 13.5676; 90; 109.311; 90;

COD ID: 8000239
CIF file	Formula: - C20 H20 O S - Comments: Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry Ingredients to TICT Formation in Donor Substituted Hemithioindigo. The journal of physical chemistry letters 8(7) (2017) 1585-1592 Space group: P 1 21/n 1 Cell volume: 1535.7 Cell parameters: 8.6197; 13.3862; 13.6456; 90; 102.746; 90;

COD ID: 8000240
CIF file	Formula: - C18 H16 O2 S - Comments: Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry Ingredients to TICT Formation in Donor Substituted Hemithioindigo. The journal of physical chemistry letters 8(7) (2017) 1585-1592 Space group: P 21 21 21 Cell volume: 1438.73 Cell parameters: 6.2782; 11.0313; 20.7739; 90; 90; 90;

COD ID: 8000241
CIF file	Formula: - C32 H72 Br6 Ir N2 - Comments: Carbery, William P.; Verma, Archana; Turner, Daniel B. Spin-Orbit Coupling Drives Femtosecond Nonadiabatic Dynamics in a Transition Metal Compound. The journal of physical chemistry letters 8(6) (2017) 1315-1322 Space group: P -1 Cell volume: 8563 Cell parameters: 18.464; 22.363; 22.409; 91.741; 104.271; 106.193;

COD ID: 8000242

CIF file

Formula: - C9 H8 N6 O -
Comments: Lucenti, Elena; Forni, Alessandra; Botta, Chiara; Carlucci, Lucia; Giannini, Clelia; Marinotto, Daniele; Previtali, Andrea; Righetto, Stefania; Cariati, Elena H-aggregates Granting Crystallization Induced Emissive Behavior and Ultralong Phosphorescence from a Pure Organic Molecule. The journal of physical chemistry letters (2017) 1894
Space group: P 1 21/c 1
Cell volume: 992.9
Cell parameters: 4.647; 18.557; 11.518; 90; 91.618; 90;

COD ID: 8000243

CIF file

Formula: - C15 H36 Cl9 N3 Sb2 -
Comments: Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters 8(9) (2017) 2012-2018
Space group: R -3 c :H
Cell volume: 4739.1
Cell parameters: 15.6182; 15.6182; 22.4337; 90; 90; 120;

COD ID: 8000244

CIF file

Formula: - C15 H36 Br3 Cl6 N3 Sb2 -
Comments: Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters 8(9) (2017) 2012-2018
Space group: R -3 c :H
Cell volume: 4961.8
Cell parameters: 15.8386; 15.8386; 22.839; 90; 90; 120;

COD ID: 8000245

CIF file

Formula: - C15 H36 Br9 N3 Sb2 -
Comments: Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters 8(9) (2017) 2012-2018
Space group: R -3 c :H
Cell volume: 5120.9
Cell parameters: 15.9951; 15.9951; 23.1124; 90; 90; 120;

COD ID: 8000246

CIF file

Formula: - C15 H36 Br3 Cl6 N3 Sb2 -
Comments: Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters 8(9) (2017) 2012-2018
Space group: R 3 c :H
Cell volume: 4718.6
Cell parameters: 15.2807; 15.2807; 23.3345; 90; 90; 120;

COD ID: 8000247

CIF file

Formula: - C15 H36 Br9 N3 Sb2 -
Comments: Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters 8(9) (2017) 2012-2018
Space group: R 3 c :H
Cell volume: 5018.77
Cell parameters: 15.6943; 15.6943; 23.5279; 90; 90; 120;

COD ID: 8000248
CIF file	Formula: - C28 H26 N2 O6 S - Comments: Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals. The journal of physical chemistry letters 8(13) (2017) 3068-3072 Space group: P -1 Cell volume: 1234.8 Cell parameters: 8.3018; 9.4214; 16.293; 83.45; 77.59; 85.73;

COD ID: 8000249
CIF file	Formula: - C28 H25 Cl N2 O2 - Comments: Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals. The journal of physical chemistry letters 8(13) (2017) 3068-3072 Space group: P -1 Cell volume: 1154.3 Cell parameters: 8.1571; 9.862; 15.677; 87.7; 88.68; 66.35;

COD ID: 8000250
CIF file	Formula: - C28 H20 N2 - Comments: Ma, Suqian; Zhang, Jibo; Liu, Yingjie; Qian, Jingyu; Xu, Bin; Tian, Wenjing Direct Observation of the Symmetrical and Asymmetrical Protonation States in Molecular Crystals. The journal of physical chemistry letters 8(13) (2017) 3068-3072 Space group: P 1 21/c 1 Cell volume: 988 Cell parameters: 7.5957; 5.7108; 22.899; 90; 95.95; 90;

COD ID: 8000251

CIF file

Formula: - C60 H80 O4 S4 -
Comments: Bedoya-Martinez, Natalia; Schrode, Benedikt; Jones, Andrew O.F.; Salzillo, Tommaso; Ruzie, Christian; Demitri, Nicola; Geerts, Yves H.; Venuti, Elisabetta; Della Valle, Raffaele Guido; Zojer, Egbert; Resel, Roland DFT-assisted polymorph identification from lattice Raman fingerprinting The Journal of Physical Chemistry Letters 8 (2017) 3690-3395
Space group: P 1 21/c 1
Cell volume: 1423.1
Cell parameters: 31.056; 7.663; 5.996; 90; 94.18; 90;

COD ID: 8000252
CIF file	Formula: - C150 H275 Au43 S25 - Comments: Dong, Hongwei; Liao, Lingwen; Wu, Zhikun Two-Way Transformation between fcc- and Nonfcc-Structured Gold Nanoclusters. The journal of physical chemistry letters 8(21) (2017) 5338-5343 Space group: P -1 Cell volume: 11288.6 Cell parameters: 21.2829; 21.539; 28.6908; 99.7673; 111.114; 105.563;

COD ID: 8000253

CIF file

Formula: - C24 H22 Cl2 N2 O6 -
Comments: Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism. The journal of physical chemistry letters 8(21) (2017) 5450-5455
Space group: P -1
Cell volume: 574.67
Cell parameters: 7.1913; 7.3327; 11.7139; 87.608; 85.333; 68.993;

COD ID: 8000254

CIF file

Formula: - C24 H26 Cl2 N2 O8 -
Comments: Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism. The journal of physical chemistry letters 8(21) (2017) 5450-5455
Space group: P 1 21/c 1
Cell volume: 1272.9
Cell parameters: 7.6272; 26.0909; 6.9724; 90; 113.451; 90;

COD ID: 8000255

CIF file

Formula: - C24 H18 Cl2 N2 O4 -
Comments: Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism. The journal of physical chemistry letters 8(21) (2017) 5450-5455
Space group: P 1 21/n 1
Cell volume: 2110.38
Cell parameters: 14.1818; 9.4204; 15.9624; 90; 98.268; 90;

COD ID: 8000256

CIF file

Formula: - C24 H18 Cl2 N2 O4 -
Comments: Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism. The journal of physical chemistry letters 8(21) (2017) 5450-5455
Space group: P 1 21/n 1
Cell volume: 2116.37
Cell parameters: 14.1952; 9.4314; 15.9716; 90; 98.211; 90;

COD ID: 8000257

CIF file

Formula: - C24 H20 N2 O6 -
Comments: Sui, Qi; Yang, Ning-Ning; Gong, Teng; Li, Peng; Yuan, Ye; Gao, En-Qing; Wang, Lin Impact of Lattice Water on Solid-State Electron Transfer in Viologen Pseudopolymorphs: Modulation of Photo- and Piezochromism. The journal of physical chemistry letters 8(21) (2017) 5450-5455
Space group: C 1 2/c 1
Cell volume: 1952.54
Cell parameters: 19.3111; 7.5939; 13.4476; 90; 98.064; 90;

COD ID: 8000265

CIF file

Formula: - C40 H26 N2 O6 -
Comments: Zhou, Jiadong; Zhang, Wenqiang; Jiang, Xiao-Fang; Wang, Cong; Zhou, Xuehong; Xu, Biao; Liu, Linlin; Xie, Zengqi; Ma, Yuguang Magic-Angle Stacking and Strong Intermolecular π-π Interaction in a Perylene Bisimide Crystal: An Approach for Efficient Near-Infrared (NIR) Emission and High Electron Mobility. The journal of physical chemistry letters (2018) 596-600
Space group: P -1
Cell volume: 1452.06
Cell parameters: 4.5671; 17.5924; 18.2091; 96.309; 92.989; 90.443;

COD ID: 8000266

CIF file

Formula: - C106 H102 Ag2 B18 P8 -
Comments: Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Schinabeck, Alexander; Yersin, Hartmut Dinuclear Ag(I) Complex Designed for Highly Efficient Thermally Activated Delayed Fluorescence. The journal of physical chemistry letters (2018) 702-709
Space group: P 1 21/n 1
Cell volume: 5311.56
Cell parameters: 13.339; 26.3269; 15.1633; 90; 94.066; 90;

COD ID: 8000267

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 870.32
Cell parameters: 8.3106; 11.699; 8.9515; 90; 90; 90;

COD ID: 8000268

CIF file

Formula: - C4 H9 Cu N3 O6 -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n a 21
Cell volume: 873.48
Cell parameters: 8.5134; 9.045; 11.3434; 90; 90; 90;

COD ID: 8000269

CIF file

Formula: - C4 H9 Cu N3 O6 -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n a 21
Cell volume: 875.71
Cell parameters: 8.5269; 9.0459; 11.3532; 90; 90; 90;

COD ID: 8000270

CIF file

Formula: - C4 H9 Cu N3 O6 -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n a 21
Cell volume: 880.34
Cell parameters: 8.5544; 9.0497; 11.3717; 90; 90; 90;

COD ID: 8000271

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 876.59
Cell parameters: 8.3501; 11.7353; 8.9456; 90; 90; 90;

COD ID: 8000272

CIF file

Formula: - C4 H9 Cu N3 O6 -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n a 21
Cell volume: 869.56
Cell parameters: 8.4877; 9.0448; 11.3269; 90; 90; 90;

COD ID: 8000273

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 878.48
Cell parameters: 8.3606; 11.7463; 8.9453; 90; 90; 90;

COD ID: 8000274

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 871.81
Cell parameters: 8.3202; 11.7079; 8.9497; 90; 90; 90;

COD ID: 8000275

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 868.73
Cell parameters: 8.301; 11.6888; 8.9533; 90; 90; 90;

COD ID: 8000276

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 873.19
Cell parameters: 8.3302; 11.7153; 8.9475; 90; 90; 90;

COD ID: 8000277

CIF file

Formula: - C4 H9 Cu N3 O6 -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n a 21
Cell volume: 871.44
Cell parameters: 8.5009; 9.0436; 11.3352; 90; 90; 90;

COD ID: 8000278

CIF file

Formula: - C4 H9 N3 O6 Zn -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n n a
Cell volume: 874.76
Cell parameters: 8.34; 11.7244; 8.9461; 90; 90; 90;

COD ID: 8000279

CIF file

Formula: - C4 H9 Cu N3 O6 -
Comments: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites. The journal of physical chemistry letters (2018) 751-755
Space group: P n a 21
Cell volume: 877.96
Cell parameters: 8.541; 9.0472; 11.3619; 90; 90; 90;

COD ID: 8000280

CIF file

Formula: - C42 H36 N2 O2 S -
Comments: Wu, Kailong; Wang, Zian; Zhan, Lisi; Zhong, Cheng; Gong, Shaolong; Xie, Guohua; Yang, Chuluo Realizing Highly Efficient Solution-Processed Homojunction-Like Sky-Blue OLEDs by Using Thermally Activated Delayed Fluorescent Emitters Featuring an Aggregation-Induced Emission Property. The journal of physical chemistry letters (2018) 1547-1553
Space group: P 1 21/c 1
Cell volume: 3342.8
Cell parameters: 13.5766; 15.6601; 15.8281; 90; 96.624; 90;

COD ID: 8000281

CIF file

Formula: - C25 H13 B F4 N2 O2 -
Comments: Li, Tian-Yi; Benduhn, Johannes; Qiao, Zhi; Liu, Yuan; Li, Yue; Shivhare, Rishi; Jaiser, Frank; Wang, Pei; Ma, Jie; Zeika, Olaf; Neher, Dieter; Mannsfeld, Stefan C. B.; Ma, Zaifei; Vandewal, Koen; Leo, Karl Effect of H- and J-Aggregation on the Photophysical and Voltage Loss of Boron Dipyrromethene Small Molecules in Vacuum-Deposited Organic Solar Cells. The journal of physical chemistry letters (2019) 2684-2691
Space group: P 1 21/c 1
Cell volume: 1949.7
Cell parameters: 9.8223; 19.3229; 17.8964; 90; 144.97; 90;

COD ID: 8000282

CIF file

Formula: - C8 H13 Be Br N O3 ad ar at2 be2 ca co d2 de di2 dr e5 ec en er ff h hy ic2 io ld n nn of og om ou rd re s sh si so t te th4 to tu ul us wh wi -
Comments: Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S. High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation. The journal of physical chemistry letters (2019) 6650-6655
Space group: R 3 m :H
Cell volume: 713.76
Cell parameters: 8.4155; 8.4155; 11.6376; 90; 90; 120;

COD ID: 8000283

CIF file

Formula: - C54 H0 Br3 N6 O36 Th Z at2 ca2 de di e3 ed2 er in is lc ll lu of rd se so th ua ul us va vi y -
Comments: Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S. High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation. The journal of physical chemistry letters (2019) 6650-6655
Space group: R -3 m :H
Cell volume: 725.11
Cell parameters: 8.4617; 8.4617; 11.6938; 90; 90; 120;

COD ID: 8000284

CIF file

Formula: - C31 H30 B F2 N3 S -
Comments: Sansalone, Lorenzo; Zhang, Yang; Mazza, Mercedes M. A.; Davis, Janel L.; Song, Ki-Hee; Captain, Burjor; Zhang, Hao F.; Raymo, Françisco M High-Throughput Single-Molecule Spectroscopy Resolves the Conformational Isomers of BODIPY Chromophores. The journal of physical chemistry letters (2019) 6807-6812
Space group: P 1 21/n 1
Cell volume: 2693.6
Cell parameters: 10.8426; 21.9098; 11.8473; 90; 106.849; 90;

COD ID: 8000285

CIF file

Formula: - C54 H34 N2 O -
Comments: Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet. The journal of physical chemistry letters (2019) 6878-6884
Space group: P 1 21/c 1
Cell volume: 3678.3
Cell parameters: 21.349; 5.8099; 31.5108; 90; 109.762; 90;

COD ID: 8000286

CIF file

Formula: - C50 H32 N2 O -
Comments: Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet. The journal of physical chemistry letters (2019) 6878-6884
Space group: P -1
Cell volume: 1731.81
Cell parameters: 9.5474; 13.5232; 13.8528; 96.265; 101.881; 94.046;

COD ID: 8000287

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 689.1
Cell parameters: 7.472; 9.4907; 9.7169; 90; 90; 90;

COD ID: 8000288

CIF file

COD ID: 8000289

CIF file

COD ID: 8000290

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 688.63
Cell parameters: 7.4583; 9.4892; 9.7301; 90; 90; 90;

COD ID: 8000291

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 688.63
Cell parameters: 7.4583; 9.4892; 9.7301; 90; 90; 90;

COD ID: 8000292

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 688.63
Cell parameters: 7.4583; 9.4892; 9.7301; 90; 90; 90;

COD ID: 8000293

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 688.81
Cell parameters: 7.462; 9.49; 9.727; 90; 90; 90;

COD ID: 8000294

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 688.81
Cell parameters: 7.462; 9.49; 9.727; 90; 90; 90;

COD ID: 8000295

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 688.81
Cell parameters: 7.462; 9.49; 9.727; 90; 90; 90;

COD ID: 8000296

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 694.1
Cell parameters: 7.529; 9.516; 9.688; 90; 90; 90;

COD ID: 8000297

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 694.1
Cell parameters: 7.529; 9.516; 9.688; 90; 90; 90;

COD ID: 8000298

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 694.1
Cell parameters: 7.529; 9.516; 9.688; 90; 90; 90;

COD ID: 8000299

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 690.34
Cell parameters: 7.487; 9.496; 9.7099; 90; 90; 90;

COD ID: 8000300

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 690.34
Cell parameters: 7.487; 9.496; 9.7099; 90; 90; 90;

COD ID: 8000301

CIF file

Formula: - C5 H10 N2 O3 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 690.34
Cell parameters: 7.487; 9.496; 9.7099; 90; 90; 90;

COD ID: 8000302

CIF file

Formula: - C29 H52 N10 O17 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 1
Cell volume: 957.957
Cell parameters: 14.002; 4.879; 15.1; 75.234; 75.88; 78.894;

COD ID: 8000303

CIF file

COD ID: 8000304

CIF file

COD ID: 8000305

CIF file

Formula: - C202 H315 N55 O64 S6 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 1 21 1
Cell volume: 16893.2
Cell parameters: 40.824; 18.498; 22.371; 90; 90.47; 90;

COD ID: 8000306

CIF file

COD ID: 8000307

CIF file

COD ID: 8000308

CIF file

COD ID: 8000309

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 423.48
Cell parameters: 5.9587; 12.2796; 5.7876; 90; 90; 90;

COD ID: 8000310

CIF file

COD ID: 8000311

CIF file

COD ID: 8000312

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 421.07
Cell parameters: 5.9279; 12.2597; 5.7939; 90; 90; 90;

COD ID: 8000313

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 421.07
Cell parameters: 5.9279; 12.2597; 5.7939; 90; 90; 90;

COD ID: 8000314

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 421.07
Cell parameters: 5.9279; 12.2597; 5.7939; 90; 90; 90;

COD ID: 8000315

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 423.824
Cell parameters: 5.9596; 12.2828; 5.7899; 90; 90; 90;

COD ID: 8000316

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 423.824
Cell parameters: 5.9596; 12.2828; 5.7899; 90; 90; 90;

COD ID: 8000317

CIF file

Formula: - C3 H7 N O2 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 423.824
Cell parameters: 5.9596; 12.2828; 5.7899; 90; 90; 90;

COD ID: 8000318

CIF file

Formula: - C28 H43 N5 O10 -
Comments: Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters (2019) 6973-6982
Space group: P 21 21 21
Cell volume: 3011.3
Cell parameters: 10.851; 13.095; 21.192; 90; 90; 90;

COD ID: 8000319

CIF file

COD ID: 8000320

CIF file

COD ID: 8000321
CIF file	Formula: - C60 H56 Cl Ir N6 - Comments: Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N. Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design. The journal of physical chemistry letters (2019) 7015-7024 Space group: P -1 Cell volume: 5225.7 Cell parameters: 15.7708; 18.1452; 20.416; 75.089; 68.707; 78.676;

COD ID: 8000322
CIF file	Formula: - C99 H96 Cl2 Ir2 N10 O3 - Comments: Shafikov, Marsel Z.; Daniels, Ruth; Kozhevnikov, Valery N. Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design. The journal of physical chemistry letters (2019) 7015-7024 Space group: P -1 Cell volume: 4866.79 Cell parameters: 14.7346; 14.9699; 23.4455; 74.694; 79.203; 80.84;

COD ID: 8000323

CIF file

Formula: - C14 H14 -
Comments: Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence. The journal of physical chemistry letters (2019) 7077-7085
Space group: P 1 21/n 1
Cell volume: 549.25
Cell parameters: 7.7534; 6.1617; 11.687; 90; 100.352; 90;

COD ID: 8000324

CIF file

Formula: - C20 H26 -
Comments: Zhang, Haoke; Du, Lili; Wang, Lin; Liu, Junkai; Wan, Qing; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Phillips, David Lee; Tang, Ben Zhong Visualization and Manipulation of Molecular Motion in the Solid State through Photoinduced Clusteroluminescence. The journal of physical chemistry letters (2019) 7077-7085
Space group: P -1
Cell volume: 397.49
Cell parameters: 5.5945; 6.5367; 11.7666; 102.817; 100.053; 102.883;

COD ID: 8000325

CIF file

Formula: - C H6 I N -
Comments: Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F. Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds. The journal of physical chemistry letters 10(22) (2019) 7245-7250
Space group: P 4/n m m :2
Cell volume: 237.3
Cell parameters: 5.124; 5.124; 9.039; 90; 90; 90;

COD ID: 8000326

CIF file

Formula: - C19 H18 N5 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P 1 21/c 1
Cell volume: 1691.11
Cell parameters: 9.0182; 24.4582; 8.5723; 90; 116.569; 90;

COD ID: 8000327

CIF file

Formula: - C19 H18 N5 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P 1 21/c 1
Cell volume: 1704.32
Cell parameters: 9.0479; 24.4512; 8.63; 90; 116.789; 90;

COD ID: 8000328

CIF file

Formula: - C19 H18 N5 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P 1 21/c 1
Cell volume: 1714.36
Cell parameters: 9.0743; 24.4428; 8.6752; 90; 117.006; 90;

COD ID: 8000329

CIF file

Formula: - C19 H18 N4 O5 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P 1 21/c 1
Cell volume: 1688.17
Cell parameters: 9.0145; 24.45; 8.565; 90; 116.585; 90;

COD ID: 8000330

CIF file

Formula: - C13 H14 N6 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 724.07
Cell parameters: 7.3987; 7.8597; 13.983; 79.178; 76.444; 67.127;

COD ID: 8000331

CIF file

Formula: - C13 H14 N6 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 729.26
Cell parameters: 7.4335; 7.8619; 14.0401; 78.971; 76.114; 67.082;

COD ID: 8000332

CIF file

Formula: - C12 H14 N6 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 733.24
Cell parameters: 7.45886; 7.8664; 14.0846; 78.745; 75.831; 67.053;

COD ID: 8000333

CIF file

Formula: - C13 H14 N6 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 727.15
Cell parameters: 7.4144; 7.8692; 13.9978; 79.205; 76.448; 67.097;

COD ID: 8000334

CIF file

Formula: - C13 H14 N6 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 727.61
Cell parameters: 7.47; 7.83; 14.1; 78.2; 75.3; 66.7;

COD ID: 8000335

CIF file

Formula: - C13 H14 N6 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 727.61
Cell parameters: 7.47; 7.83; 14.1; 78.2; 75.3; 66.7;

COD ID: 8000336

CIF file

Formula: - C21 H16 F4 N4 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 1013.68
Cell parameters: 6.79266; 7.42265; 20.4135; 93.5078; 99.2464; 90.7721;

COD ID: 8000337

CIF file

Formula: - C21 H16 F4 N4 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 1021.18
Cell parameters: 6.80954; 7.4556; 20.4333; 93.733; 99.374; 90.457;

COD ID: 8000338

CIF file

Formula: - C21 H16 F4 N4 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 1029.75
Cell parameters: 6.8289; 7.4919; 20.4608; 94.001; 99.524; 90.156;

COD ID: 8000339

CIF file

Formula: - C21 H16 F4 N4 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 1014.01
Cell parameters: 6.7952; 7.4236; 20.4083; 93.501; 99.23; 90.718;

COD ID: 8000340

CIF file

Formula: - C21 H16 F4 N4 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 1051.31
Cell parameters: 6.8745; 7.5733; 20.5303; 94.526; 99.28; 90.55;

COD ID: 8000341

CIF file

Formula: - C21 H16 F4 N4 O6 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 1051.31
Cell parameters: 6.8745; 7.5733; 20.5303; 94.526; 99.28; 90.55;

COD ID: 8000342

CIF file

Formula: - C10 H14 N2 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 266.446
Cell parameters: 3.80841; 8.3454; 8.5998; 81.922; 80.362; 85.796;

COD ID: 8000343

CIF file

Formula: - C10 H14 N2 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 269.25
Cell parameters: 3.84026; 8.3386; 8.6155; 82.02; 80.617; 86.006;

COD ID: 8000344

CIF file

Formula: - C10 H14 N2 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 271.521
Cell parameters: 3.87078; 8.3374; 8.6101; 82.173; 80.895; 86.179;

COD ID: 8000345

CIF file

Formula: - C10 H14 N2 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 266.383
Cell parameters: 3.8078; 8.3463; 8.5971; 81.918; 80.381; 85.89;

COD ID: 8000346

CIF file

Formula: - C10 H14 N2 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 278.02
Cell parameters: 3.9491; 8.3309; 8.6409; 82.304; 81.08; 86.244;

COD ID: 8000347

CIF file

Formula: - C10 H14 N2 O4 -
Comments: Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N. Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions. The journal of physical chemistry letters 10(22) (2019) 7224-7229
Space group: P -1
Cell volume: 278.02
Cell parameters: 3.9491; 8.3309; 8.6409; 82.304; 81.08; 86.244;

COD ID: 8000348
CIF file	Formula: - C192 H216 Ag3.96 Au34.04 S24 - Comments: Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules. The journal of physical chemistry letters 6(7) (2015) 1223-1228 Space group: P -1 Cell volume: 10629 Cell parameters: 18.8585; 22.2711; 29.2473; 96.472; 106.952; 111.124;

COD ID: 8000349

CIF file

Formula: - C60 H86 O6 -
Comments: Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. The journal of physical chemistry letters 7(20) (2016) 4086-4092
Space group: P -1
Cell volume: 1452
Cell parameters: 6.6764; 13.184; 17.361; 73.665; 83.571; 83.54;

COD ID: 8000350

CIF file

Formula: - C60 H86 O6 -
Comments: Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. The journal of physical chemistry letters 7(20) (2016) 4086-4092
Space group: P -1
Cell volume: 1385.09
Cell parameters: 7.1245; 12.6264; 16.7681; 101.132; 101.941; 103.882;

COD ID: 8000351

CIF file

Formula: - C60 H86 O6 -
Comments: Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. The journal of physical chemistry letters 7(20) (2016) 4086-4092
Space group: P -1
Cell volume: 1296.44
Cell parameters: 5.6873; 11.0563; 21.3282; 76.848; 83.218; 89.785;

COD ID: 8000352

CIF file

Formula: - C31 H51 B Cl Co N9 O3 -
Comments: Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V. Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation. The journal of physical chemistry letters 7(20) (2016) 4111-4116
Space group: P -1
Cell volume: 1767.1
Cell parameters: 8.1868; 8.2071; 29.482; 84.999; 84.042; 63.879;

COD ID: 8000353

CIF file

Formula: - C31 H51 B Cl Co N9 O3 -
Comments: Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V. Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation. The journal of physical chemistry letters 7(20) (2016) 4111-4116
Space group: P 1 21/c 1
Cell volume: 3630.5
Cell parameters: 32.44; 8.0312; 13.936; 90; 90.734; 90;

COD ID: 8000354
CIF file	Formula: - C16 H9 Br - Comments: Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores. The journal of physical chemistry letters 7(22) (2016) 4751-4756 Space group: P 21 21 21 Cell volume: 1135.5 Cell parameters: 4.266; 13.533; 19.669; 90; 90; 90;

COD ID: 8000355
CIF file	Formula: - C32 H18 - Comments: Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores. The journal of physical chemistry letters 7(22) (2016) 4751-4756 Space group: P 1 21/c 1 Cell volume: 1960.45 Cell parameters: 30.4984; 3.9613; 16.2415; 90; 92.412; 90;

COD ID: 8000356
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 460.99 Cell parameters: 6.1071; 7.0985; 10.6748; 90; 95.017; 90;

COD ID: 8000357
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 459.64 Cell parameters: 6.1054; 7.0878; 10.6638; 90; 95.094; 90;

COD ID: 8000358
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 460.28 Cell parameters: 6.1006; 7.0942; 10.6767; 90; 95.052; 90;

COD ID: 8000359
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 459.55 Cell parameters: 6.0947; 7.0901; 10.6768; 90; 95.09; 90;

COD ID: 8000360
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 460.139 Cell parameters: 6.0947; 7.0944; 10.6845; 90; 95.116; 90;

COD ID: 8000361
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 456.77 Cell parameters: 6.0709; 7.0907; 10.6664; 89.559; 95.237; 92.593;

COD ID: 8000362
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 455.09 Cell parameters: 6.0538; 7.0936; 10.6609; 89.535; 95.383; 93.181;

COD ID: 8000363
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 454.43 Cell parameters: 6.047; 7.0945; 10.6587; 89.505; 95.443; 93.326;

COD ID: 8000364
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 453.82 Cell parameters: 6.0405; 7.0949; 10.6576; 89.484; 95.509; 93.428;

COD ID: 8000365
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 452.88 Cell parameters: 6.0307; 7.097; 10.6526; 89.391; 95.588; 93.571;

COD ID: 8000366
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 450.6 Cell parameters: 6.0076; 7.0951; 10.6488; 89.126; 95.853; 93.642;

COD ID: 8000367
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 448.97 Cell parameters: 5.9924; 7.0915; 10.6453; 88.987; 96.008; 93.603;

COD ID: 8000368
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 447.59 Cell parameters: 5.9793; 7.0877; 10.6426; 88.93; 96.108; 93.52;

COD ID: 8000369
CIF file	Formula: - C14 H17 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 459.63 Cell parameters: 6.0764; 7.0959; 10.704; 90; 95.196; 90;

COD ID: 8000370
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 458.2 Cell parameters: 6.0655; 7.074; 10.725; 90; 95.28; 90;

COD ID: 8000371
CIF file	Formula: - C14 H16 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 454.8 Cell parameters: 6.0509; 7.0817; 10.657; 90; 95.19; 90;

COD ID: 8000372
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 450 Cell parameters: 6.006; 7.0672; 10.657; 89.92; 95.2; 92.71;

COD ID: 8000373
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 445.8 Cell parameters: 5.9847; 7.0514; 10.628; 90.03; 95.46; 93.21;

COD ID: 8000374
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 442 Cell parameters: 5.9454; 7.058; 10.616; 90.27; 95.74; 94.245;

COD ID: 8000375
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 447 Cell parameters: 5.958; 7.069; 10.669; 90; 95.21; 92.76;

COD ID: 8000376
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 438.88 Cell parameters: 5.9012; 7.0666; 10.625; 90.369; 96.279; 94.712;

COD ID: 8000377
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 435.38 Cell parameters: 5.8752; 7.0561; 10.609; 90.36; 96.55; 94.743;

COD ID: 8000378
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 431.13 Cell parameters: 5.8426; 7.0452; 10.585; 90.43; 96.62; 94.933;

COD ID: 8000379
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 425.26 Cell parameters: 5.8059; 7.0187; 10.556; 90.42; 96.96; 95.048;

COD ID: 8000380
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 418.69 Cell parameters: 5.7562; 6.9942; 10.529; 90.32; 97.38; 95.055;

COD ID: 8000381
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 416.1 Cell parameters: 5.73; 6.986; 10.533; 89.56; 97.77; 95.04;

COD ID: 8000382
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 413.7 Cell parameters: 5.7216; 6.9763; 10.501; 89.95; 97.84; 94.966;

COD ID: 8000383
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 408.34 Cell parameters: 5.6799; 6.9641; 10.479; 88.725; 98.587; 94.902;

COD ID: 8000384
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 403.6 Cell parameters: 5.639; 6.945; 10.465; 88.69; 98.8; 94.7;

COD ID: 8000385
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 397.91 Cell parameters: 5.6089; 6.9221; 10.434; 87.77; 99.6; 94.788;

COD ID: 8000386
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 392.1 Cell parameters: 5.571; 6.8976; 10.411; 87.263; 100.31; 94.672;

COD ID: 8000387
CIF file	Formula: - C14 H18 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 m 1 Cell volume: 462.8 Cell parameters: 6.115; 7.1238; 10.661; 90; 94.83; 90;

COD ID: 8000388
CIF file	Formula: - C14 H16 Co N2 O5 - Comments: Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters 8(1) (2017) 279-284 Space group: P 1 Cell volume: 417.8 Cell parameters: 5.744; 6.981; 10.557; 90.04; 97.92; 94.77;

COD ID: 8000389

CIF file

Formula: - C40 H54 Cl I3 N4 O2 Pb -
Comments: Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A.; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A One-Dimensional Organic-Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations. The journal of physical chemistry letters 9(9) (2018) 2438-2442
Space group: P 1 21/c 1
Cell volume: 4409.5
Cell parameters: 16.3649; 33.5729; 8.0898; 90; 97.21; 90;

COD ID: 8000390

CIF file

Formula: - C39 H23 Eu F9 N3 O6 S3 -
Comments: Hashimoto, Yuichiro; Nakashima, Takuya; Yamada, Miku; Yuasa, Junpei; Rapenne, Gwénaël; Kawai, Tsuyoshi Hierarchical Emergence and Dynamic Control of Chirality in a Photoresponsive Dinuclear Complex. The journal of physical chemistry letters 9(9) (2018) 2151-2157
Space group: P -1
Cell volume: 1974.45
Cell parameters: 10.03872; 10.41729; 19.6956; 76.455; 80.489; 88.925;

COD ID: 8000391
CIF file	Formula: - C216 H144 Cu25 F36 P12 - Comments: Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters. The journal of physical chemistry letters 10(20) (2019) 6124-6128 Space group: P n c 2 Cell volume: 25412 Cell parameters: 34.557; 22.3796; 32.859; 90; 90; 90;

COD ID: 8000392
CIF file	Formula: - C216 H144 Au Cu24 F36 P12 - Comments: Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters. The journal of physical chemistry letters 10(20) (2019) 6124-6128 Space group: P n c 2 Cell volume: 25207.4 Cell parameters: 34.5313; 22.4275; 32.5487; 90; 90; 90;

COD ID: 8000393
CIF file	Formula: - C216 H180 Au Cu24 P12 - Comments: Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters. The journal of physical chemistry letters 10(20) (2019) 6124-6128 Space group: P b c a Cell volume: 50448 Cell parameters: 33.383; 38.6374; 39.1118; 90; 90; 90;

COD ID: 8000394
CIF file	Formula: - C202 H181 N10 S - Comments: Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang Polarized Species in an Organic Semiconductor Laser. The journal of physical chemistry letters 10(24) (2019) 7905-7909 Space group: C 1 2/c 1 Cell volume: 17592.1 Cell parameters: 35.5019; 16.1885; 33.0801; 90; 112.283; 90;

COD ID: 8000395

CIF file

Formula: - C4 H12 Br4 Cd F4 N2 -
Comments: Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z. Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F2CHCH2NH3)2CdBr4 Perovskite through Pb Alloying. The journal of physical chemistry letters 11(1) (2020) 199-205
Space group: P b c a
Cell volume: 1365.71
Cell parameters: 7.8696; 7.664; 22.6439; 90; 90; 90;

COD ID: 8000396

CIF file

Formula: - C32 H44 Cu4 I4 N4 -
Comments: Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters. The journal of physical chemistry letters (2020) 1255-1260
Space group: P 21 21 21
Cell volume: 4109.4
Cell parameters: 7.54153; 12.0777; 45.1161; 90; 90; 90;

COD ID: 8000397

CIF file

Formula: - C32 H44 Cu4 I4 N4 -
Comments: Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters. The journal of physical chemistry letters (2020) 1255-1260
Space group: P 21 21 21
Cell volume: 4106.11
Cell parameters: 7.54722; 12.06809; 45.0822; 90; 90; 90;

COD ID: 8000398

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 3510.9
Cell parameters: 7.5502; 15.2672; 30.9195; 80.2982; 89.4414; 87.9701;

COD ID: 8000399

CIF file

Formula: - C48 H24 Cl12 O6 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1169.9
Cell parameters: 7.1738; 7.6722; 21.6585; 96.19; 98.569; 92.3536;

COD ID: 8000400

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1798.04
Cell parameters: 7.6289; 7.701; 30.698; 85.794; 89.5306; 88.5438;

COD ID: 8000401

CIF file

Formula: - C38 H16 Cl8 O4 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 928.44
Cell parameters: 7.6555; 7.6969; 15.9629; 98.1455; 93.3158; 92.2872;

COD ID: 8000402

CIF file

Formula: - C38 H16 Cl8 O4 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1790.1
Cell parameters: 7.5809; 15.1973; 17.0179; 67.017; 82.633; 87.047;

COD ID: 8000403

CIF file

Formula: - C48 H24 Cl12 O6 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1215.1
Cell parameters: 7.3358; 7.7383; 21.822; 96.2006; 98.4849; 93.0166;

COD ID: 8000404

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1782.55
Cell parameters: 7.5963; 7.6826; 30.6464; 85.5932; 89.6875; 88.448;

COD ID: 8000405

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1780.79
Cell parameters: 7.5923; 7.6803; 30.6429; 85.5655; 89.7179; 88.4239;

COD ID: 8000406

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1776.7
Cell parameters: 7.5852; 7.6749; 30.624; 85.5563; 89.7552; 88.3859;

COD ID: 8000407

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1773.32
Cell parameters: 7.5797; 7.6692; 30.6092; 85.6093; 89.79; 88.3051;

COD ID: 8000408

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1768.2
Cell parameters: 7.5747; 7.6588; 30.5803; 85.7079; 89.8361; 88.1942;

COD ID: 8000409

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1763.8
Cell parameters: 7.5681; 7.6518; 30.5589; 85.7256; 89.8676; 88.1423;

COD ID: 8000410

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1751.25
Cell parameters: 7.5454; 7.6338; 30.5119; 85.5906; 89.9846; 88.0361;

COD ID: 8000411

CIF file

Formula: - C40 H20 Cl4 N4 O2 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 3478.5
Cell parameters: 7.531; 15.22; 30.7947; 80.415; 89.44; 88.111;

COD ID: 8000412

CIF file

Formula: - C38 H16 Cl8 O4 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 910.9
Cell parameters: 7.6224; 7.6188; 15.8758; 97.7456; 93.2272; 92.4714;

COD ID: 8000413

CIF file

Formula: - C38 H16 Cl8 O4 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1800.9
Cell parameters: 7.6001; 15.2128; 17.0597; 67.0648; 82.4814; 87.1754;

COD ID: 8000414

CIF file

Formula: - C48 H24 Cl12 O6 S4 -
Comments: Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. The journal of physical chemistry letters (2020) 1336
Space group: P -1
Cell volume: 1170.57
Cell parameters: 7.1814; 7.674; 21.6396; 96.108; 98.58; 92.34;

COD ID: 8000415

CIF file

Formula: - C18 H17 N O5 -
Comments: Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli Self-Assembly Evolution of N-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality. The journal of physical chemistry letters 11(4) (2020) 1490-1496
Space group: P 21 21 21
Cell volume: 1679.75
Cell parameters: 7.3855; 9.2351; 24.6276; 90; 90; 90;

COD ID: 8000416

CIF file

Formula: - C16 H0 B8 F32 N5.33 Rb2.67 -
Comments: Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response. The journal of physical chemistry letters (2020) 1668-1674
Space group: F m -3 c
Cell volume: 2949.43
Cell parameters: 14.341; 14.341; 14.341; 90; 90; 90;

COD ID: 8000417

CIF file

Formula: - C6 H18 B3 F12 N3 -
Comments: Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response. The journal of physical chemistry letters (2020) 1668-1674
Space group: P a -3
Cell volume: 2875.71
Cell parameters: 14.2205; 14.2205; 14.2205; 90; 90; 90;

COD ID: 8000418

CIF file

Formula: - C48 H0 B24 F96 N24 -
Comments: Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response. The journal of physical chemistry letters (2020) 1668-1674
Space group: F m -3 c
Cell volume: 2924.58
Cell parameters: 14.3006; 14.3006; 14.3006; 90; 90; 90;

COD ID: 8000419

CIF file

Formula: - C6 H14 B3 F12 N2 Rb -
Comments: Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response. The journal of physical chemistry letters (2020) 1668-1674
Space group: P a -3
Cell volume: 2893.15
Cell parameters: 14.2492; 14.2492; 14.2492; 90; 90; 90;

COD ID: 8000420

CIF file

Formula: - C12 H32 Cl8 N4 Sn -
Comments: Song, Gaomin; Li, Mingze; Yang, Yi; Liang, Fei; Huang, Qian; Liu, Xiaomeng; Gong, Pifu; Xia, Zhiguo; Lin, Zheshuai Lead-Free Tin(IV)-Based Organic-Inorganic Metal Halide Hybrids with Excellent Stability and Blue-Broadband Emission. The journal of physical chemistry letters (2020) 1808-1813
Space group: C 1 2/c 1
Cell volume: 2518.76
Cell parameters: 24.8035; 7.9768; 14.8847; 90; 121.21; 90;

COD ID: 8000421

CIF file

Formula: - C67.28 H51.67 Cl1.19 N4 O12.68 Zn -
Comments: Margarit, Charles G.; Asimow, Naomi G.; Gonzalez, Miguel I.; Nocera, Daniel G. Double Hangman Iron Porphyrin and the Effect of Electrostatic Nonbonding Interactions on Carbon Dioxide Reduction. The journal of physical chemistry letters (2020) 1890-1895
Space group: P 1 21 1
Cell volume: 7431.8
Cell parameters: 13.6905; 19.3639; 28.2678; 90; 97.376; 90;

COD ID: 8000422
CIF file	Formula: - C24 H18 Cu3 N9 - Comments: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. The journal of physical chemistry letters (2020) 2067 Space group: P n a 21 Cell volume: 9163.3 Cell parameters: 25.5422; 10.3454; 34.6772; 90; 90; 90;

COD ID: 8000423
CIF file	Formula: - C96 H73 Cu12 N36 - Comments: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. The journal of physical chemistry letters (2020) 2067 Space group: P n a 21 Cell volume: 9445.4 Cell parameters: 25.6853; 10.4956; 35.037; 90; 90; 90;

COD ID: 8000424
CIF file	Formula: - C48 H36 Ag6 N18 - Comments: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. The journal of physical chemistry letters (2020) 2067 Space group: P 1 21/n 1 Cell volume: 2377.24 Cell parameters: 11.592; 8.3296; 25.2621; 90; 102.944; 90;

COD ID: 8000425
CIF file	Formula: - C48 H36 Ag6 N18 - Comments: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. The journal of physical chemistry letters (2020) 2067 Space group: P 1 21/c 1 Cell volume: 2449.5 Cell parameters: 11.5674; 8.5459; 25.4385; 90; 103.077; 90;

COD ID: 8000426
CIF file	Formula: - C51 H48 Cu6 N18 O3 - Comments: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. The journal of physical chemistry letters (2020) 2067 Space group: P -1 Cell volume: 2500.57 Cell parameters: 7.1324; 18.7836; 18.9897; 89.437; 79.51; 88.405;

COD ID: 8000427
CIF file	Formula: - C24 H18 Cu3 N9 - Comments: Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes. The journal of physical chemistry letters (2020) 2067 Space group: P -1 Cell volume: 2555.38 Cell parameters: 7.214; 18.8723; 19.0253; 89.557; 80.608; 89.749;

COD ID: 8000428
CIF file	Formula: - C8 H20 Br4 N2 Pb - Comments: Su, Binbin; Molokeev, Maxim S.; Xia, Zhiguo Unveiling Mn<sup>2+</sup> Dopant States in Two-Dimensional Halide Perovskite toward Highly Efficient Photoluminescence. The journal of physical chemistry letters 11(7) (2020) 2510-2517 Space group: P n m a Cell volume: 1639.62 Cell parameters: 8.4804; 24.4406; 7.9107; 90; 90; 90;

COD ID: 8000429
CIF file	Formula: - C21 H21 Cl2 Fe N O3 - Comments: Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices. The journal of physical chemistry letters 11(10) (2020) 4147-4155 Space group: C 2 2 21 Cell volume: 4037.92 Cell parameters: 9.6818; 15.8107; 26.3785; 90; 90; 90;

COD ID: 8000430
CIF file	Formula: - C31 H30 Cl2 Fe N2 O6 - Comments: Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices. The journal of physical chemistry letters 11(10) (2020) 4147-4155 Space group: P 21 21 21 Cell volume: 3073.76 Cell parameters: 11.0166; 12.3581; 22.5772; 90; 90; 90;

COD ID: 8000431
CIF file	Formula: - C31 H30 Cl2 Fe N2 O6 - Comments: Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices. The journal of physical chemistry letters 11(10) (2020) 4147-4155 Space group: P 21 21 21 Cell volume: 3073.35 Cell parameters: 11.0155; 12.3587; 22.5754; 90; 90; 90;

COD ID: 8000432
CIF file	Formula: - C21 H21 Cl2 Fe N O3 - Comments: Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices. The journal of physical chemistry letters 11(10) (2020) 4147-4155 Space group: C 2 2 21 Cell volume: 4039.4 Cell parameters: 9.6682; 15.8378; 26.3801; 90; 90; 90;

COD ID: 8000433

CIF file

Formula: - C788 H832 Cu44 F48 P24 S36 Sb8 -
Comments: Li, Hao; Zhai, Hongsheng; Zhou, Chuanjun; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou Atomically Precise Copper Cluster with Intensely Near-Infrared Luminescence and Its Mechanism. The journal of physical chemistry letters 11(12) (2020) 4891-4896
Space group: P 1 21/n 1
Cell volume: 22448
Cell parameters: 26.564; 26.692; 33.045; 90; 106.652; 90;

COD ID: 8000434

CIF file

Formula: - C19 H14 I N -
Comments: Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly. The journal of physical chemistry letters 11(13) (2020) 4962-4969
Space group: P 21 21 21
Cell volume: 1506.86
Cell parameters: 5.4967; 13.8112; 19.849; 90; 90; 90;

COD ID: 8000435

CIF file

Formula: - C19 H14 Br N -
Comments: Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly. The journal of physical chemistry letters 11(13) (2020) 4962-4969
Space group: P 21 21 21
Cell volume: 1477.7
Cell parameters: 5.5364; 13.6786; 19.513; 90; 90; 90;

COD ID: 8000436
CIF file	Formula: - C17 H16 F N O2 - Comments: Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media. The journal of physical chemistry letters (2020) 5433-5438 Space group: P b c a Cell volume: 2791.8 Cell parameters: 8.4897; 10.6452; 30.8917; 90; 90; 90;

COD ID: 8000437

CIF file

Formula: - C2.34 H2.21 F0.14 N0.14 O0.28 -
Comments: Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media. The journal of physical chemistry letters (2020) 5433-5438
Space group: P 1 21/c 1
Cell volume: 1428.4
Cell parameters: 15.4183; 12.1852; 7.8546; 90; 104.549; 90;

COD ID: 8000438
CIF file	Formula: - C17 H16 F N O2 - Comments: Chu, Xiaotong; Lu, Zhuoqun; Tang, Baolei; Liu, Bin; Ye, Kaiqi; Zhang, Hongyu Engineering Mechanical Compliance of an Organic Compound toward Flexible Crystal Lasing Media. The journal of physical chemistry letters (2020) 5433-5438 Space group: P 1 21/c 1 Cell volume: 1388.73 Cell parameters: 10.913; 11.7943; 11.5984; 90; 111.525; 90;

COD ID: 8000439

CIF file

Formula: - C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 -
Comments: Shafikov, Marsel Z.; Zaytsev, Andrey V.; Suleymanova, Alfiya F.; Brandl, Fabian; Kowalczyk, Aleksandra; Gapińska, Magdalena; Kowalski, Konrad; Kozhevnikov, Valery N.; Czerwieniec, Rafał Near Infrared Phosphorescent Dinuclear Ir(III) Complex Exhibiting Unusually Slow Intersystem Crossing and Dual Emissive Behavior. The journal of physical chemistry letters (2020) 5849-5855
Space group: P 1 21/n 1
Cell volume: 4106.7
Cell parameters: 11.0806; 15.6633; 23.814; 90; 96.483; 90;

COD ID: 8000440

CIF file

Formula: - C20 H32 Br4 Mn0.6 N2 Zn0.4 -
Comments: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions. The journal of physical chemistry letters (2020) 5956-5962
Space group: P 1 21 1
Cell volume: 1332.13
Cell parameters: 9.5732; 9.1568; 15.2531; 90; 94.935; 90;

COD ID: 8000441

CIF file

Formula: - C20 H32 Br4 Mn0.8 N2 Zn0.2 -
Comments: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions. The journal of physical chemistry letters (2020) 5956-5962
Space group: P 1 21 1
Cell volume: 1333.93
Cell parameters: 9.5764; 9.1603; 15.2625; 90; 94.924; 90;

COD ID: 8000442

CIF file

Formula: - C20 H32 Br4 N2 Zn -
Comments: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions. The journal of physical chemistry letters (2020) 5956-5962
Space group: P 1 21 1
Cell volume: 1321.8
Cell parameters: 9.552; 9.134; 15.2067; 90; 94.953; 90;

COD ID: 8000443

CIF file

Formula: - C20 H32 Br4 Mn N2 -
Comments: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions. The journal of physical chemistry letters (2020) 5956-5962
Space group: P 1 21 1
Cell volume: 1341.8
Cell parameters: 9.59257; 9.17931; 15.29408; 90; 94.8868; 90;

COD ID: 8000444

CIF file

Formula: - C20 H32 Br4 Mn0.2 N2 Zn0.8 -
Comments: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions. The journal of physical chemistry letters (2020) 5956-5962
Space group: P 1 21 1
Cell volume: 1325.07
Cell parameters: 9.5593; 9.1402; 15.2225; 90; 94.958; 90;

COD ID: 8000445

CIF file

Formula: - C20 H32 Br4 Mn0.4 N2 Zn0.6 -
Comments: Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn2+-Based Metal Halides: A Case Study of (C10H16N)2Zn1-xMn x Br4 Solid Solutions. The journal of physical chemistry letters (2020) 5956-5962
Space group: P 1 21 1
Cell volume: 1328.71
Cell parameters: 9.5667; 9.1487; 15.2381; 90; 94.949; 90;

COD ID: 8000446

CIF file

Formula: - C60 Ag5.26 Au24.74 S18 -
Comments: Wijesinghe, Kalpani Hirunika; Sakthivel, Naga Arjun; Jones, Tanya; Dass, Amala Crystal Structure of Au30-xAg x (S-tBu)18 and Effect of the Ligand on Ag Alloying in Gold Nanomolecules. The journal of physical chemistry letters (2020) 6312-6319
Space group: P 1 21/n 1
Cell volume: 14913.7
Cell parameters: 25.1222; 14.9693; 40.2014; 90; 99.435; 90;

COD ID: 8000447

CIF file

Formula: - C17 H30 I7 N3 Pb2 -
Comments: Morrow, Darien J.; Hautzinger, Matthew P.; Lafayette, David P.; Scheeler, Jason M.; Dang, Lianna; Leng, Meiying; Kohler, Daniel D.; Wheaton, Amelia M.; Fu, Yongping; Guzei, Ilia A.; Tang, Jiang; Jin, Song; Wright, John C. Disentangling Second Harmonic Generation from Multiphoton Photoluminescence in Halide Perovskites using Multidimensional Harmonic Generation. The journal of physical chemistry letters (2020) 6551-6559
Space group: P -1
Cell volume: 1696.5
Cell parameters: 8.722; 8.726; 22.533; 97.604; 93.482; 90.36;

COD ID: 8000448

CIF file

Formula: - C72 H162 Ag2.68 Au27.31 S18 -
Comments: Li, Yingwei; Taylor, Michael G.; Luo, Tian-Yi; Song, Yongbo; Rosi, Nathaniel L.; Mpourmpakis, Giannis; Jin, Rongchao Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure. The journal of physical chemistry letters 11(17) (2020) 7307-7312
Space group: P 1 21/n 1
Cell volume: 13746.4
Cell parameters: 15.2662; 51.5233; 17.4781; 90; 90.777; 90;

COD ID: 8000449
CIF file	Formula: - C5 H3 K O3 - Comments: Frankhouser, Amy D.; Kanan, Matthew W. Phase Behavior That Enables Solvent-Free Carbonate-Promoted Furoate Carboxylation. The journal of physical chemistry letters (2020) 7544-7551 Space group: P 21 21 21 Cell volume: 592.46 Cell parameters: 3.9649; 5.7919; 25.7992; 90; 90; 90;

COD ID: 8000450

CIF file

Formula: - C94 H82 N4 O2 S4 -
Comments: Zhou, Jiadong; Wen, Xinbo; Tang, Ningning; Zhou, Xuehong; Wang, Cong; Zheng, Nan; Liu, Linlin; Xie, Zengqi Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors. The journal of physical chemistry letters 11(18) (2020) 7908-7913
Space group: P -1
Cell volume: 4176.6
Cell parameters: 15.7472; 16.9033; 18.0345; 64.976; 73.853; 84.654;

COD ID: 8000451

CIF file

Formula: - C72 H64 Mn4 N40 O12 -
Comments: Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design. The journal of physical chemistry letters 11(19) (2020) 7960-7965
Space group: P -4 21 c
Cell volume: 4552.9
Cell parameters: 16.1196; 16.1196; 17.5219; 90; 90; 90;

COD ID: 8000452

CIF file

Formula: - C44 H0 Mn2 N22 O8 -
Comments: Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design. The journal of physical chemistry letters 11(19) (2020) 7960-7965
Space group: I 4/m c m
Cell volume: 2361.7
Cell parameters: 11.5389; 11.5389; 17.7377; 90; 90; 90;

COD ID: 8000453

CIF file

Formula: - C18 H Mn N10 O -
Comments: Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design. The journal of physical chemistry letters 11(19) (2020) 7960-7965
Space group: P 21 21 21
Cell volume: 2379.4
Cell parameters: 11.6357; 12.2736; 16.6608; 90; 90; 90;

COD ID: 8000454

CIF file

Formula: - C36 H0 Mn2 N20 O2 -
Comments: Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design. The journal of physical chemistry letters 11(19) (2020) 7960-7965
Space group: P n a 21
Cell volume: 2292.1
Cell parameters: 11.1875; 12.4566; 16.4477; 90; 90; 90;

COD ID: 8000455

CIF file

Formula: - C18 H8 Mn N10 O -
Comments: Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design. The journal of physical chemistry letters 11(19) (2020) 7960-7965
Space group: P n a m
Cell volume: 2382.32
Cell parameters: 11.6485; 12.2688; 16.6697; 90; 90; 90;

COD ID: 8000456

CIF file

Formula: - C26 H26 N2 O7 Zn2 -
Comments: Takimoto, Kazuyoshi; Ishihara, Shinsuke; Labuta, Jan; Březina, Václav; Payne, Daniel T.; Hill, Jonathan P.; Ariga, Katsuhiko; Sumita, Masato; Mori, Shigeki; Sato, Hisako Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic Chiral Inversion and Coligand Exchange in a Coordination Complex. The journal of physical chemistry letters 11(19) (2020) 8164-8169
Space group: P 1 21/n 1
Cell volume: 2571.46
Cell parameters: 11.7122; 13.4138; 16.8162; 90; 103.261; 90;

COD ID: 8000457
CIF file	Formula: - C16 H16 Cl N3 O - Comments: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence The Journal of Physical Chemistry Letters (2020) 9178-9183 Space group: P 1 21/c 1 Cell volume: 1538.27 Cell parameters: 15.198; 13.1294; 7.7881; 90; 98.169; 90;

COD ID: 8000458
CIF file	Formula: - C32 H32 Cl2 N6 O2 - Comments: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence The Journal of Physical Chemistry Letters (2020) 9178-9183 Space group: P b c a Cell volume: 6113.2 Cell parameters: 11.3576; 8.0121; 67.179; 90; 90; 90;

COD ID: 8000459
CIF file	Formula: - C17 H20 Cl N3 O2 - Comments: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence The Journal of Physical Chemistry Letters (2020) 9178-9183 Space group: P 1 21/c 1 Cell volume: 1718.57 Cell parameters: 15.5657; 6.4012; 17.6685; 90; 102.526; 90;

COD ID: 8000460
CIF file	Formula: - C18 H22 Cl N3 O2 - Comments: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence The Journal of Physical Chemistry Letters (2020) 9178-9183 Space group: P 1 21/c 1 Cell volume: 1810.65 Cell parameters: 15.7804; 6.3813; 18.8376; 90; 107.348; 90;

COD ID: 8000461
CIF file	Formula: - C19 H24 Cl N3 O2 - Comments: Liu, Bin; Liu, Hao; Zhang, Houyu; Di, Qi; Zhang, Hongyu Crystal Engineering of a Hydrazone Molecule toward High Elasticity and Bright Luminescence The Journal of Physical Chemistry Letters (2020) 9178-9183 Space group: P 1 21/c 1 Cell volume: 1852 Cell parameters: 14.9915; 6.3912; 20.0914; 90; 105.829; 90;

COD ID: 8000462

CIF file

Formula: - C72 H68 F24 N6 O20 P4 -
Comments: Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties. The journal of physical chemistry letters (2020) 9282-9288
Space group: P n n n :2
Cell volume: 4030.6
Cell parameters: 6.6837; 21.6852; 27.8092; 90; 90; 90;

COD ID: 8000463

CIF file

Formula: - C24 H18 B2 F8 N2 O4 -
Comments: Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties. The journal of physical chemistry letters (2020) 9282-9288
Space group: C 1 2/c 1
Cell volume: 2379.6
Cell parameters: 28.005; 6.9983; 14.0177; 90; 119.983; 90;

COD ID: 8000464

CIF file

Formula: - C25 H22 Br2 N2 O5 -
Comments: Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties. The journal of physical chemistry letters (2020) 9282-9288
Space group: P -1
Cell volume: 1228.08
Cell parameters: 6.8623; 12.6219; 15.1424; 74.772; 82.398; 76.727;

COD ID: 8000465

CIF file

Formula: - C72 H68 Cl4 N6 O36 -
Comments: Sui, Qi; Li, Peng; Sun, Rong; Fang, Yu-Hui; Wang, Lin; Wang, Bing-Wu; Gao, En-Qing; Gao, Song Effects of Different Counter Anions on Solid-State Electron Transfer in Viologen Compounds: Modulation of Color and Piezo- and Photochromic Properties. The journal of physical chemistry letters (2020) 9282-9288
Space group: P n n n :2
Cell volume: 3892.7
Cell parameters: 6.6806; 20.8364; 27.965; 90; 90; 90;

COD ID: 8000466

CIF file

Formula: - C48 H74 Br9 In N6 O -
Comments: Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping. The journal of physical chemistry letters 11(23) (2020) 10164-10172
Space group: P 1 21 1
Cell volume: 6024.96
Cell parameters: 10.2996; 26.3489; 22.2194; 90; 92.337; 90;

COD ID: 8000467

CIF file

Formula: - C16 H18 F6 I4 N2 Pb -
Comments: Wang, Pei-Xi; Najarian, Amin Morteza; Hao, Zhaomin; Johnston, Andrew; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Structural Distortion and Bandgap Increase of Two-Dimensional Perovskites Induced by Trifluoromethyl Substitution on Spacer Cations. The journal of physical chemistry letters 11(23) (2020) 10144-10149
Space group: P 1 21/c 1
Cell volume: 1311.38
Cell parameters: 18.1441; 8.418; 8.6907; 90; 98.909; 90;

COD ID: 8000468
CIF file	Formula: - C18 H9 I S2 - Comments: Matsunaga, Amane; Ogawa, Yuta; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi Control of Molecular Orientation in Organic Semiconductors Using Weak Iodine‒Iodine Interactions The Journal of Physical Chemistry Letters (2020) 111-116 Space group: P 1 c 1 Cell volume: 1407.4 Cell parameters: 5.9937; 31.533; 7.4479; 90; 91.034; 90;

COD ID: 8000469

CIF file

Formula: - C5 H12 O5 -
Comments: Wieduwilt, Erna K.; Macetti, Giovanni; Genoni, Alessandro Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions The Journal of Physical Chemistry Letters (2020) 463-471
Space group: P 21 21 21
Cell volume: 656.3
Cell parameters: 8.264; 8.901; 8.9223; 90; 90; 90;

COD ID: 8000470

CIF file

Formula: - C180 H270 Ag26 Au S19 -
Comments: Lin, Xinzhang; Ma, Weiguang; Sun, Keju; Sun, Bo; Fu, Xuemei; Ren, Xiuqing; Liu, Chao; Huang, Jiahui [AuAg26(SR)18S]− Nanocluster: Open Shell Structure and High Faradaic Efficiency in Electrochemical Reduction of CO2 to CO The Journal of Physical Chemistry Letters (2020) 552-557
Space group: P 1 2/c 1
Cell volume: 21366
Cell parameters: 30.891; 17.628; 39.727; 90; 99.02; 90;

COD ID: 8000471
CIF file	Formula: - C42 H28 F4 - Comments: Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate. The journal of physical chemistry letters 11(24) (2020) 10504-10510 Space group: P -1 Cell volume: 1692 Cell parameters: 11.952; 12.348; 13.306; 63.93; 85.6; 73.85;

COD ID: 8000472
CIF file	Formula: - C42 H26 F4 - Comments: Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate. The journal of physical chemistry letters 11(24) (2020) 10504-10510 Space group: P 1 21/c 1 Cell volume: 1509 Cell parameters: 15.036; 11.848; 8.5039; 90; 95.07; 90;

COD ID: 8000473

CIF file

Formula: - C34 H20 N2 O2 -
Comments: Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence. The journal of physical chemistry letters 12(1) (2021) 686-695
Space group: C 1 2/c 1
Cell volume: 2314.2
Cell parameters: 13.7963; 12.6757; 13.3735; 90; 98.305; 90;

COD ID: 8000474

CIF file

Formula: - C24 H25 N3 O -
Comments: Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence. The journal of physical chemistry letters 12(7) (2021) 1814-1821
Space group: P 1 21/n 1
Cell volume: 2015.52
Cell parameters: 6.9687; 29.4628; 9.8722; 90; 96.084; 90;

COD ID: 8000475

CIF file

Formula: - C36 H34 N4 O -
Comments: Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence. The journal of physical chemistry letters 12(7) (2021) 1814-1821
Space group: P 1 21/n 1
Cell volume: 2829.54
Cell parameters: 17.7928; 6.5327; 24.6135; 90; 98.498; 90;

COD ID: 8000476

CIF file

Formula: - C36 H32 N4 O -
Comments: Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence. The journal of physical chemistry letters 12(7) (2021) 1814-1821
Space group: P 1 21/c 1
Cell volume: 2863.6
Cell parameters: 11.3082; 24.3551; 11.4415; 90; 114.665; 90;

COD ID: 8000477

CIF file

Formula: - C36 H32 N4 O -
Comments: Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence. The journal of physical chemistry letters 12(7) (2021) 1814-1821
Space group: P 1 21 1
Cell volume: 1412.29
Cell parameters: 12.6111; 7.5598; 15.0851; 90; 100.886; 90;

COD ID: 8000478

CIF file

Formula: - C19 H24 Cl6 F N3 O4 Sn -
Comments: Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides. The journal of physical chemistry letters 12(7) (2021) 1918-1925
Space group: P 1 21/c 1
Cell volume: 2618.7
Cell parameters: 17.1753; 10.1401; 17.1948; 90; 119.018; 90;

COD ID: 8000479

CIF file

Formula: - C19 H26 Cl6 F N3 O4 Pb2 -
Comments: Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides. The journal of physical chemistry letters 12(7) (2021) 1918-1925
Space group: P 1 21/c 1
Cell volume: 2816.7
Cell parameters: 8.0389; 20.632; 17.359; 90; 101.95; 90;

COD ID: 8000480

CIF file

Formula: - C19 H22 Bi Cl6 F N3 O6 -
Comments: Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides. The journal of physical chemistry letters 12(7) (2021) 1918-1925
Space group: P -1
Cell volume: 1506.5
Cell parameters: 7.987; 14.188; 14.544; 70.746; 89.925; 76.317;

COD ID: 8000481

CIF file

Formula: - C38 H14 F10 N4 O4 -
Comments: Kumagai, Shohei; Yu, Craig P.; Nakano, Shunsuke; Annaka, Tatsuro; Mitani, Masato; Yano, Masafumi; Ishii, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro Role of Perfluorophenyl Group in the Side Chain of Small-Molecule n-Type Organic Semiconductors in Stress Stability of Single-Crystal Transistors The Journal of Physical Chemistry Letters (2021) 2095-2101
Space group: P 1 21/n 1
Cell volume: 1463.1
Cell parameters: 4.8681; 7.9922; 37.653; 90; 92.913; 90;

COD ID: 8000482

CIF file

Formula: - C40 H60 Ag4 S4 -
Comments: Das, Anish Kumar; Maity, Subarna; Sengupta, Turbasu; Bista, Dinesh; Reber, Arthur C.; Patra, Amitava; Khanna, Shiv N.; Mandal, Sukhendu One-Dimensional Silver-Thiolate Cluster-Assembly: Effect of Argentophilic Interactions on Excited-State Dynamics. The journal of physical chemistry letters (2021) 2154-2159
Space group: C 1 2/c 1
Cell volume: 3871.1
Cell parameters: 29.026; 6.5085; 22.952; 90; 116.776; 90;

COD ID: 8000483

CIF file

Formula: - Bi Cl Cs -
Comments: Tailor, Naveen Kumar; Maity, Partha; Saidaminov, Makhsud I.; Pradhan, Narayan; Satapathi, Soumitra Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs3Bi2Cl9 Perovskite Single Crystal. The journal of physical chemistry letters 12(9) (2021) 2286-2292
Space group: P n m a
Cell volume: 1874.2
Cell parameters: 18.589; 7.6364; 13.203; 90; 90; 90;

COD ID: 8000484

CIF file

Formula: - C H6 Br3 N Pb -
Comments: Wiedemann, Dennis; Breternitz, Joachim; Paley, Daniel W.; Schorr, Susan Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr3. The journal of physical chemistry letters 12(9) (2021) 2358-2362
Space group: P 1
Cell volume: 8181.6
Cell parameters: 16.9314; 11.7303; 41.194; 90; 90; 90;

COD ID: 8000485

CIF file

Formula: - C25 H19 N O -
Comments: Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. The journal of physical chemistry letters 12(12) (2021) 3099-3105
Space group: P 1 21/c 1
Cell volume: 1830.54
Cell parameters: 9.43162; 11.06107; 17.6072; 90; 94.7508; 90;

COD ID: 8000486
CIF file	Formula: - C25 H16 N2 - Comments: Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. The journal of physical chemistry letters 12(12) (2021) 3099-3105 Space group: P 1 21/n 1 Cell volume: 1825.95 Cell parameters: 9.39192; 16.751; 12.0917; 90; 106.29; 90;

COD ID: 8000487
CIF file	Formula: - C25 H16 N2 - Comments: Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. The journal of physical chemistry letters 12(12) (2021) 3099-3105 Space group: P 1 21/n 1 Cell volume: 1805.94 Cell parameters: 10.2793; 13.5906; 13.2253; 90; 102.19; 90;

COD ID: 8000488
CIF file	Formula: - C25 H16 N2 - Comments: Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. The journal of physical chemistry letters 12(12) (2021) 3099-3105 Space group: R -3 :H Cell volume: 8947.1 Cell parameters: 31.8745; 31.8745; 10.1687; 90; 90; 120;

COD ID: 8000489
CIF file	Formula: - C25 H19 N O - Comments: Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. The journal of physical chemistry letters 12(12) (2021) 3099-3105 Space group: P 1 21/c 1 Cell volume: 3724.26 Cell parameters: 20.4508; 11.98222; 16.482; 90; 112.763; 90;

COD ID: 8000490
CIF file	Formula: - C20 H14 N2 - Comments: Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation. The journal of physical chemistry letters 12(12) (2021) 3099-3105 Space group: P 1 21/c 1 Cell volume: 1525.52 Cell parameters: 11.0496; 12.7223; 11.0073; 90; 99.6402; 90;

COD ID: 8000491

CIF file

Formula: - C52 H16 N4 O8 -
Comments: Chen, Jiehuan; Tang, Ningning; Zhou, Jiadong; Wang, Liangxuan; Jiang, Nianqiang; Zheng, Nan; Liu, Linlin; Xie, Zengqi Coexistence of Parallel and Rotary Stackings in the Lamellar Crystals of a Perylene Bisimide Dyad for Temperature-Sensitive Bicomponent Emission. The journal of physical chemistry letters (2021) 3373-3378
Space group: P 1 21/c 1
Cell volume: 8638
Cell parameters: 24.786; 38.64; 9.0207; 90; 91.074; 90;

COD ID: 8000492

CIF file

Formula: - C23 H21 N5 O -
Comments: Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection. The journal of physical chemistry letters 12(11) (2021) 2912-2921
Space group: P 1 21/n 1
Cell volume: 1960.32
Cell parameters: 9.9272; 22.2895; 10.1168; 90; 118.872; 90;

COD ID: 8000493

CIF file

Formula: - C19 H15 N5 O -
Comments: Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection. The journal of physical chemistry letters 12(11) (2021) 2912-2921
Space group: P 1 21/c 1
Cell volume: 1679.66
Cell parameters: 3.93525; 29.2968; 14.6279; 90; 95.143; 90;

COD ID: 8000494

CIF file

Formula: - C62 H32 F16 I2 N4 -
Comments: Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide. The journal of physical chemistry letters 12(19) (2021) 4585-4592
Space group: P -1
Cell volume: 1354.8
Cell parameters: 4.8893; 15.372; 19.518; 67.58; 89.54; 87.55;

COD ID: 8000495

CIF file

Formula: - C28 H16 F6 N2 -
Comments: Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide. The journal of physical chemistry letters 12(19) (2021) 4585-4592
Space group: P 1 21/c 1
Cell volume: 2224.9
Cell parameters: 14.799; 9.962; 15.092; 90; 90.54; 90;

COD ID: 8000496
CIF file	Formula: - C32 H24 O6 - Comments: Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi Biradicaloid Behavior of a Twisted Double Bond. The journal of physical chemistry letters 12(19) (2021) 4729-4734 Space group: C 1 2/c 1 Cell volume: 2381.2 Cell parameters: 11.5969; 13.4458; 15.9778; 90; 107.103; 90;

COD ID: 8000497
CIF file	Formula: - C60 H80 O6 - Comments: Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi Biradicaloid Behavior of a Twisted Double Bond. The journal of physical chemistry letters 12(19) (2021) 4729-4734 Space group: P 1 21/n 1 Cell volume: 5153.6 Cell parameters: 6.7405; 38.8619; 19.7039; 90; 93.159; 90;

COD ID: 8000498

CIF file

Formula: - C9 H30 Br7 N3 Pb2 -
Comments: Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals. The journal of physical chemistry letters 12(20) (2021) 4965-4971
Space group: C c c 2
Cell volume: 2732.8
Cell parameters: 8.3262; 39.247; 8.3629; 90; 90; 90;

COD ID: 8000499

CIF file

Formula: - C11 H37 Br7 N4 Pb2 -
Comments: Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals. The journal of physical chemistry letters 12(20) (2021) 4965-4971
Space group: C c c 2
Cell volume: 2960.5
Cell parameters: 8.325; 42.717; 8.325; 90; 90; 90;

COD ID: 8000500

CIF file

Formula: - C9 H30 Br7 N3 Pb2 -
Comments: Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals. The journal of physical chemistry letters 12(20) (2021) 4965-4971
Space group: C 1 c 1
Cell volume: 2732.9
Cell parameters: 39.173; 8.3835; 8.3225; 90; 90.789; 90;

COD ID: 8000501

CIF file

Formula: - C0.28 N1.68 O24 Si12 -
Comments: Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions. The journal of physical chemistry letters 12(21) (2021) 5059-5063
Space group: C m c 21
Cell volume: 1207.1
Cell parameters: 13.826; 17.372; 5.0259; 90; 90; 90;

COD ID: 8000502

CIF file

Formula: - C4 H12 Br3 N O Pb -
Comments: Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-Tc Phase Transitions. The journal of physical chemistry letters 12(21) (2021) 5221-5227
Space group: P n m a
Cell volume: 1222.8
Cell parameters: 15.343; 7.8403; 10.165; 90; 90; 90;

COD ID: 8000503

CIF file

Formula: - C4 H12 Br3 N O Pb -
Comments: Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-Tc Phase Transitions. The journal of physical chemistry letters 12(21) (2021) 5221-5227
Space group: P 1 21/c 1
Cell volume: 1171.83
Cell parameters: 10.3827; 14.8485; 7.6353; 90; 95.432; 90;

COD ID: 8000504

CIF file

Formula: - C3.2 H8 Br1.2 N0.4 O0.4 Pb0.4 -
Comments: Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-Tc Phase Transitions. The journal of physical chemistry letters 12(21) (2021) 5221-5227
Space group: P 63/m m c
Cell volume: 624.8
Cell parameters: 9.556; 9.556; 7.9; 90; 90; 120;

COD ID: 8000505
CIF file	Formula: - C24 H8 F2 O5.78 Zr - Comments: Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy. The journal of physical chemistry letters 12(24) (2021) 5644-5648 Space group: F d -3 m :2 Cell volume: 63264 Cell parameters: 39.846; 39.846; 39.846; 90; 90; 90;

COD ID: 8000506
CIF file	Formula: - C24 H8 F2 O5.58 Zr - Comments: Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy. The journal of physical chemistry letters 12(24) (2021) 5644-5648 Space group: F d -3 m :2 Cell volume: 63154 Cell parameters: 39.823; 39.823; 39.823; 90; 90; 90;

COD ID: 8000507

CIF file

Formula: - C20 H18 N2 O6 -
Comments: Chen, Wenbin; Sun, Shanshan; Huang, Guanheng; Ni, Shaofei; Xu, Liang; Dang, Li; Phillips, David Lee; Li, Ming-De Unprecedented Improvement of Near-Infrared Photothermal Conversion Efficiency to 87.2% by Ultrafast Non-radiative Decay of Excited States of Self-Assembly Cocrystal. The journal of physical chemistry letters 12(24) (2021) 5796-5801
Space group: P -1
Cell volume: 445.7
Cell parameters: 7.2332; 7.8762; 8.0903; 76.673; 83.598; 88.515;

COD ID: 8000508
CIF file	Formula: - C34 H34 Fe N4 O8 - Comments: Liu, Bingyu; Hao, Aiyou; Xing, Pengyao Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides The Journal of Physical Chemistry Letters (2021) 6190-6196 Space group: C 1 2 1 Cell volume: 1585.43 Cell parameters: 12.6429; 12.1175; 11.3048; 90; 113.733; 90;

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