Crystallography Open Database
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1561273 | CIF | C16 H40 Cl7 In N4 O0 S4 | C 1 2/c 1 | 20.9774; 10.1284; 14.5479 90; 99.752; 90 | 3046.3 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561274 | CIF | C12 H27 Cl5 In N2 O S2 | P 1 21/n 1 | 11.7611; 12.5257; 15.0163 90; 96.853; 90 | 2196.34 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561275 | CIF | C14 H36 Cl6 In N3 O S3 | P -1 | 7.7233; 11.6526; 15.1865 82.98; 87.09; 88.651 | 1354.53 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
1561276 | CIF | C16 H40 Cl7 In0.93 N4 S4 Sb0.07 | C 1 2/c 1 | 21.0254; 10.1582; 14.5931 90; 99.846; 90 | 3070.9 | Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid. The journal of physical chemistry letters, 2021, 3288-3294 |
8000074 | CIF | C23 H16 O2 S2 | P c c n | 5.9686; 13.7161; 22.6208 90; 90; 90 | 1851.87 | 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, 2011, 2, 648 |
8000075 | CIF | C21 H12 O S2 | P 1 2/c 1 | 16.9741; 6.496; 7.1152 90; 91.0088; 90 | 784.43 | 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, 2011, 2, 648 |
8000076 | CIF | C24 H12 N2 S2 | P 1 21/c 1 | 14.8678; 7.5297; 16.9934 90; 95.7169; 90 | 1892.95 | 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, 2011, 2, 648 |
8000077 | CIF | C23 H6 F10 O2 S2 | P -1 | 8.8519; 9.6987; 13.1288 70.3916; 78.2754; 82.4345 | 1037.15 | 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, 2011, 2, 648 |
8000078 | CIF | C24 H2 F10 N2 S2 | P 1 21/n 1 | 16.8693; 7.6992; 32.7451 90; 96.783; 90 | 4223.2 | 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, 2011, 2, 648 |
8000079 | CIF | C23 H11 F5 O2 S2 | P -1 | 8.3262; 9.9514; 12.7866 112.274; 99.195; 91.288 | 963.8 | 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, 2011, 2, 648 |
8000080 | CIF | C33 H30 F6 N2 | P 1 c 1 | 6.2952; 13.29; 17.297 90; 101.4; 90 | 1418.6 | 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, 2011, 2, 666 |
8000081 | CIF | C13 H15 N4 O6 | P 41 | 10.6905; 10.6905; 12.9823 90; 90; 90 | 1483.71 | 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, 2011, 2, 3036 |
8000082 | CIF | C13 H15 N4 O6 | P 43 | 10.6835; 10.6835; 12.9899 90; 90; 90 | 1482.63 | 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, 2011, 2, 3036 |
8000083 | CIF | C10 H7 N O3 | P 1 21/n 1 | 5.2307; 9.6701; 15.5374 90; 98.565; 90 | 777.14 | 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, 2011, 2, 3063 |
8000197 | CIF | C144 H162 Ag6.66 Au18.34 S18 | P -1 | 16.191; 17.244; 18.613 105.871; 106.252; 90.74 | 4776 | 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, 2014, 5, 461 |
8000198 | CIF | C14 H12.8 N4 O1.4 | P 1 21/c 1 | 8.761; 16.167; 9.689 90; 108.314; 90 | 1302.8 | 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, 2014, 5, 92 |
8000199 | CIF | C14 H12 N4 O | P -1 | 7.5326; 9.6002; 10.1649 99.619; 109.189; 109.599 | 621.42 | 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, 2014, 5, 92 |
8000200 | CIF | C14 H3 F7 O2 | P 21 21 21 | 4.4782; 11.8813; 21.849 90; 90; 90 | 1162.5 | 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, 2014, 5, 1560 |
8000201 | CIF | C44 Cs Er F52 O8 | P n n a | 26.1476; 14.1409; 14.6773 90; 90; 90 | 5426.9 | 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, 2014, 5, 1560 |
8000202 | CIF | C58 H14 Cs Er F28 O8 | C 1 2/c 1 | 26.905; 8.464; 24.2743 90; 107.21; 90 | 5280.3 | 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, 2014, 5, 1560 |
8000203 | CIF | C56 Cs Er F28 O12 | P -1 | 13.2677; 14.96; 15.5993 99.293; 101.038; 115.265 | 2643.1 | 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, 2014, 5, 1560 |
8000204 | CIF | C47 H33 Cl3 N4 | P -1 | 12.347; 13.031; 13.621 107.495; 115.25; 93.094 | 1847.8 | Harada, Yuka; Hatano, Sayaka; Kimoto, Atsushi; Abe, Jiro Remarkable Acceleration for Back-Reaction of a Fast Photochromic Molecule The Journal of Physical Chemistry Letters, 2010, 1, 1112 |
8000205 | CIF | C21 H18 B F4 N O | P -1 | 7.8888; 10.6684; 12.2654 81.87; 78.907; 67.749 | 934.87 | 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, 2010, 1, 1809 |
8000206 | CIF | C46 H54 O2 S4 | P -1 | 5.8691; 14.2212; 14.2606 113.921; 100.286; 93.039 | 1060.1 | 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, 2014, 5, 2171 |
8000207 | CIF | C23 H27 O S2 | P -1 | 10.0773; 12.626; 17.705 82.176; 77.112; 76.89 | 2130 | 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, 2014, 5, 2171 |
8000208 | CIF | C32 H36 N2 | P -1 | 6.202; 8.602; 12.334 83.36; 79.79; 73.78 | 620.3 | 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, 2014, 5, 2781 |
8000214 | CIF | C68 H46 S6 | P 1 21/c 1 | 14.1274; 7.4879; 24.8944 90; 97.826; 90 | 2608.9 | 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, 2015, 6, 3754-3759 |
8000227 | CIF | C66 H78 O6 | P 21 21 21 | 10.73807; 18.8417; 27.9758 90; 90; 90 | 5660.16 | 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, 2016, 7, 783-788 |
8000228 | CIF | C48 H42 O6 | C 1 c 1 | 14.5496; 25.3475; 10.4535 90; 100.915; 90 | 3785.5 | 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, 2016, 7, 783-788 |
8000231 | CIF | C37 H39 N2 O2 | P n a 21 | 22.9575; 13.5678; 10.0581 90; 90; 90 | 3132.9 | 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, 2016, 7, 3067-3072 |
8000232 | CIF | C51 H51.42 N2 O | P -1 | 14.2277; 17.004; 17.1275 95.533; 91.1547; 104.605 | 3986.8 | 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, 2016, 7, 3067-3072 |
8000233 | CIF | I6 N8 Pb2 | I 4/m c m | 8.8117; 8.8117; 12.674 90; 90; 90 | 984.1 | 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, 2016, 7, 2412-2419 |
8000234 | CIF | C H6 I3 N Pb | P n m a | 8.8767; 12.64; 8.5879 90; 90; 90 | 963.58 | 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, 2016, 7, 2412-2419 |
8000235 | CIF | C34 H29.5 N2 O4 | P 1 21/c 1 | 33.897; 7.329; 21.104 90; 100.329; 90 | 5157.9 | 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 |
8000236 | CIF | C120 H220 Au28 S20 | C c c a :2 | 26.4855; 34.211; 21.8681 90; 90; 90 | 19814.6 | 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, 2017, 8, 866-870 |
8000237 | CIF | C18 H16 O4 S | C 1 2/c 1 | 21.8001; 9.0461; 19.7453 90; 128.902; 90 | 3030.3 | 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, 2017, 8, 1585-1592 |
8000238 | CIF | C18 H16 O S | P 1 21/n 1 | 13.5107; 8.4433; 13.5676 90; 109.311; 90 | 1460.64 | 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, 2017, 8, 1585-1592 |
8000239 | CIF | C20 H20 O S | P 1 21/n 1 | 8.6197; 13.3862; 13.6456 90; 102.746; 90 | 1535.7 | 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, 2017, 8, 1585-1592 |
8000240 | CIF | C18 H16 O2 S | P 21 21 21 | 6.2782; 11.0313; 20.7739 90; 90; 90 | 1438.73 | 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, 2017, 8, 1585-1592 |
8000241 | CIF | C32 H72 Br6 Ir N2 | P -1 | 18.464; 22.363; 22.409 91.741; 104.271; 106.193 | 8563 | 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, 2017, 8, 1315-1322 |
8000242 | CIF | C9 H8 N6 O | P 1 21/c 1 | 4.647; 18.557; 11.518 90; 91.618; 90 | 992.9 | 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 |
8000243 | CIF | C15 H36 Cl9 N3 Sb2 | R -3 c :H | 15.6182; 15.6182; 22.4337 90; 90; 120 | 4739.1 | 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, 2017, 8, 2012-2018 |
8000244 | CIF | C15 H36 Br3 Cl6 N3 Sb2 | R -3 c :H | 15.8386; 15.8386; 22.839 90; 90; 120 | 4961.8 | 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, 2017, 8, 2012-2018 |
8000245 | CIF | C15 H36 Br9 N3 Sb2 | R -3 c :H | 15.9951; 15.9951; 23.1124 90; 90; 120 | 5120.9 | 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, 2017, 8, 2012-2018 |
8000246 | CIF | C15 H36 Br3 Cl6 N3 Sb2 | R 3 c :H | 15.2807; 15.2807; 23.3345 90; 90; 120 | 4718.6 | 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, 2017, 8, 2012-2018 |
8000247 | CIF | C15 H36 Br9 N3 Sb2 | R 3 c :H | 15.6943; 15.6943; 23.5279 90; 90; 120 | 5018.77 | 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, 2017, 8, 2012-2018 |
8000248 | CIF | C28 H26 N2 O6 S | P -1 | 8.3018; 9.4214; 16.293 83.45; 77.59; 85.73 | 1234.8 | 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, 2017, 8, 3068-3072 |
8000249 | CIF | C28 H25 Cl N2 O2 | P -1 | 8.1571; 9.862; 15.677 87.7; 88.68; 66.35 | 1154.3 | 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, 2017, 8, 3068-3072 |
8000250 | CIF | C28 H20 N2 | P 1 21/c 1 | 7.5957; 5.7108; 22.899 90; 95.95; 90 | 988 | 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, 2017, 8, 3068-3072 |
8000251 | CIF | C60 H80 O4 S4 | P 1 21/c 1 | 31.056; 7.663; 5.996 90; 94.18; 90 | 1423.1 | 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, 2017, 8, 3690-3395 |
8000252 | CIF | C150 H275 Au43 S25 | P -1 | 21.2829; 21.539; 28.6908 99.7673; 111.114; 105.563 | 11288.6 | Dong, Hongwei; Liao, Lingwen; Wu, Zhikun Two-Way Transformation between fcc- and Nonfcc-Structured Gold Nanoclusters. The journal of physical chemistry letters, 2017, 8, 5338-5343 |
8000253 | CIF | C24 H22 Cl2 N2 O6 | P -1 | 7.1913; 7.3327; 11.7139 87.608; 85.333; 68.993 | 574.67 | 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, 2017, 8, 5450-5455 |
8000254 | CIF | C24 H26 Cl2 N2 O8 | P 1 21/c 1 | 7.6272; 26.0909; 6.9724 90; 113.451; 90 | 1272.9 | 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, 2017, 8, 5450-5455 |
8000255 | CIF | C24 H18 Cl2 N2 O4 | P 1 21/n 1 | 14.1818; 9.4204; 15.9624 90; 98.268; 90 | 2110.38 | 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, 2017, 8, 5450-5455 |
8000256 | CIF | C24 H18 Cl2 N2 O4 | P 1 21/n 1 | 14.1952; 9.4314; 15.9716 90; 98.211; 90 | 2116.37 | 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, 2017, 8, 5450-5455 |
8000257 | CIF | C24 H20 N2 O6 | C 1 2/c 1 | 19.3111; 7.5939; 13.4476 90; 98.064; 90 | 1952.54 | 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, 2017, 8, 5450-5455 |
8000265 | CIF | C40 H26 N2 O6 | P -1 | 4.5671; 17.5924; 18.2091 96.309; 92.989; 90.443 | 1452.06 | 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 |
8000266 | CIF | C106 H102 Ag2 B18 P8 | P 1 21/n 1 | 13.339; 26.3269; 15.1633 90; 94.066; 90 | 5311.56 | 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 |
8000267 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.3106; 11.699; 8.9515 90; 90; 90 | 870.32 | 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 |
8000268 | CIF | C4 H9 Cu N3 O6 | P n a 21 | 8.5134; 9.045; 11.3434 90; 90; 90 | 873.48 | 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 |
8000269 | CIF | C4 H9 Cu N3 O6 | P n a 21 | 8.5269; 9.0459; 11.3532 90; 90; 90 | 875.71 | 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 |
8000270 | CIF | C4 H9 Cu N3 O6 | P n a 21 | 8.5544; 9.0497; 11.3717 90; 90; 90 | 880.34 | 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 |
8000271 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.3501; 11.7353; 8.9456 90; 90; 90 | 876.59 | 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 |
8000272 | CIF | C4 H9 Cu N3 O6 | P n a 21 | 8.4877; 9.0448; 11.3269 90; 90; 90 | 869.56 | 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 |
8000273 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.3606; 11.7463; 8.9453 90; 90; 90 | 878.48 | 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 |
8000274 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.3202; 11.7079; 8.9497 90; 90; 90 | 871.81 | 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 |
8000275 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.301; 11.6888; 8.9533 90; 90; 90 | 868.73 | 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 |
8000276 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.3302; 11.7153; 8.9475 90; 90; 90 | 873.19 | 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 |
8000277 | CIF | C4 H9 Cu N3 O6 | P n a 21 | 8.5009; 9.0436; 11.3352 90; 90; 90 | 871.44 | 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 |
8000278 | CIF | C4 H9 N3 O6 Zn | P n n a | 8.34; 11.7244; 8.9461 90; 90; 90 | 874.76 | 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 |
8000279 | CIF | C4 H9 Cu N3 O6 | P n a 21 | 8.541; 9.0472; 11.3619 90; 90; 90 | 877.96 | 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 |
8000280 | CIF | C42 H36 N2 O2 S | P 1 21/c 1 | 13.5766; 15.6601; 15.8281 90; 96.624; 90 | 3342.8 | 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 |
8000281 | CIF | C25 H13 B F4 N2 O2 | P 1 21/c 1 | 9.8223; 19.3229; 17.8964 90; 144.97; 90 | 1949.7 | 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 |
8000282 | CIF | C6 H13 Br N O3 | R 3 m :H | 8.4155; 8.4155; 11.6376 90; 90; 120 | 713.76 | 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 |
8000283 | CIF | C18 Br N2 O12 | R -3 m :H | 8.4617; 8.4617; 11.6938 90; 90; 120 | 725.11 | 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 |
8000284 | CIF | C31 H30 B F2 N3 S | P 1 21/n 1 | 10.8426; 21.9098; 11.8473 90; 106.849; 90 | 2693.6 | 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 |
8000285 | CIF | C54 H34 N2 O | P 1 21/c 1 | 21.349; 5.8099; 31.5108 90; 109.762; 90 | 3678.3 | 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 |
8000286 | CIF | C50 H32 N2 O | P -1 | 9.5474; 13.5232; 13.8528 96.265; 101.881; 94.046 | 1731.81 | 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 |
8000287 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.472; 9.4907; 9.7169 90; 90; 90 | 689.1 | 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 |
8000288 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.472; 9.4907; 9.7169 90; 90; 90 | 689.1 | 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 |
8000289 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.472; 9.4907; 9.7169 90; 90; 90 | 689.1 | 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 |
8000290 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.63 | 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 |
8000291 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.63 | 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 |
8000292 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.63 | 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 |
8000293 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.462; 9.49; 9.727 90; 90; 90 | 688.81 | 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 |
8000294 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.462; 9.49; 9.727 90; 90; 90 | 688.81 | 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 |
8000295 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.462; 9.49; 9.727 90; 90; 90 | 688.81 | 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 |
8000296 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.529; 9.516; 9.688 90; 90; 90 | 694.1 | 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 |
8000297 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.529; 9.516; 9.688 90; 90; 90 | 694.1 | 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 |
8000298 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.529; 9.516; 9.688 90; 90; 90 | 694.1 | 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 |
8000299 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.487; 9.496; 9.7099 90; 90; 90 | 690.34 | 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 |
8000300 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.487; 9.496; 9.7099 90; 90; 90 | 690.34 | 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 |
8000301 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.487; 9.496; 9.7099 90; 90; 90 | 690.34 | 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 |
8000302 | CIF | C29 H52 N10 O17 | P 1 | 14.002; 4.879; 15.1 75.234; 75.88; 78.894 | 957.957 | 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 |
8000303 | CIF | C29 H52 N10 O17 | P 1 | 14.002; 4.879; 15.1 75.234; 75.88; 78.894 | 957.957 | 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 |
8000304 | CIF | C29 H52 N10 O17 | P 1 | 14.002; 4.879; 15.1 75.234; 75.88; 78.894 | 957.957 | 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 |
8000305 | CIF | C202 H315 N55 O64 S6 | P 1 21 1 | 40.824; 18.498; 22.371 90; 90.47; 90 | 16893.2 | 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 |
8000306 | CIF | C202 H315 N55 O64 S6 | P 1 21 1 | 40.824; 18.498; 22.371 90; 90.47; 90 | 16893.2 | 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 |
8000307 | CIF | C202 H315 N55 O64 S6 | P 1 21 1 | 40.824; 18.498; 22.371 90; 90.47; 90 | 16893.2 | 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 |
8000308 | CIF | C202 H315 N55 O64 S6 | P 1 21 1 | 40.824; 18.498; 22.371 90; 90.47; 90 | 16893.2 | 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 |
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