Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 8000168 | CIF | C25 H41 Ir N P S3 W | P 1 21/n 1 | 9.5917; 14.842; 21.05 90; 102.054; 90 | 2930.6 | Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands Chemistry Letters, 2007, 36, 622 |
| 8000169 | CIF | C52 H65 Cl Ir N2 P S W | P c a 21 | 21.684; 12.9161; 17.115 90; 90; 90 | 4793.4 | Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands Chemistry Letters, 2007, 36, 622 |
| 8000170 | CIF | C27 H60 B N S Si3 | P 1 21/m 1 | 8.494; 17.521; 11.458 90; 104.666; 90 | 1649.66 | Nakata, Norio; Sekiguchi, Akira Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene Chemistry Letters, 2007, 36, 662 |
| 8000171 | CIF | C27 H60 B N Se Si3 | P 1 21/m 1 | 8.535; 17.516; 11.516 90; 105.343; 90 | 1660.27 | Nakata, Norio; Sekiguchi, Akira Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene Chemistry Letters, 2007, 36, 662 |
| 8000172 | CIF | C27 H60 B N O2 Si3 | P 1 21/c 1 | 11.416; 17.629; 16.893 90; 102.371; 90 | 3320.8 | Nakata, Norio; Sekiguchi, Akira Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene Chemistry Letters, 2007, 36, 662 |
| 8000173 | CIF | C31 H29 Cl3 Co N4 O4 | I 1 2/a 1 | 9.352; 15.145; 26.961 90; 54.24; 90 | 3099 | Yoshida, Jun; Nishikiori, Shin-ichi; Kuroda, Reiko Construction of Supramolecular Complexes by Use of Planar Bis(β-diketonato)cobalt(II) Complexes as Building Blocks Chemistry Letters, 2007, 36, 678 |
| 8000174 | CIF | C80 H86 Co3 N14 O16 | P 1 21/c 1 | 10.423; 15.4308; 26.7556 90; 77.211; 90 | 4196.5 | Yoshida, Jun; Nishikiori, Shin-ichi; Kuroda, Reiko Construction of Supramolecular Complexes by Use of Planar Bis(β-diketonato)cobalt(II) Complexes as Building Blocks Chemistry Letters, 2007, 36, 678 |
| 8000175 | CIF | C44 H50 N2 O6 S2 | P 1 21 1 | 12.179; 14.775; 12.01 90; 117.22; 90 | 1922 | Sugiura, Hiroki; Sakai, Daisuke; Otani, Harunori; Teranishi, Kazuhiro; Takahira, Yusuke; Amemiya, Ryo; Yamaguchi, Masahiko Synthesis and Structure of Optically Active 1,12-Diethyl- and 1,12-Diisopropylbenzo[c]phenanthrenes: An Isopropyl Group Can Be Smaller than a Methyl Group Chemistry Letters, 2007, 36, 72 |
| 8000176 | CIF | C46 H54 N2 O6 S2 | C 2 2 21 | 10.993; 13.367; 28.13 90; 90; 90 | 4134 | Sugiura, Hiroki; Sakai, Daisuke; Otani, Harunori; Teranishi, Kazuhiro; Takahira, Yusuke; Amemiya, Ryo; Yamaguchi, Masahiko Synthesis and Structure of Optically Active 1,12-Diethyl- and 1,12-Diisopropylbenzo[c]phenanthrenes: An Isopropyl Group Can Be Smaller than a Methyl Group Chemistry Letters, 2007, 36, 72 |
| 8000177 | CIF | C9 H17 B F4 N O | P 21 21 21 | 8.15; 9.612; 16.02 90; 90; 90 | 1255 | Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals Chemistry Letters, 2007, 36, 866 |
| 8000178 | CIF | C9 H18 N O | F d d 2 | 21.332; 22.771; 7.9362 90; 90; 90 | 3855 | Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals Chemistry Letters, 2007, 36, 866 |
| 8000179 | CIF | C22 H14 Co N6 S2 | C 1 2/c 1 | 15.5751; 11.202; 11.9673 90; 102.49; 90 | 2038.5 | Masuhara, Naoji; Hayami, Shinya; Motokawa, Natsuko; Shuto, Aya; Inoue, Katsuya; Maeda, Yonezo Crystal Structure and Magnetic Property of Two Novel 1-D Cobalt(II) Assemblies Chemistry Letters, 2007, 36, 90 |
| 8000180 | CIF | Ca4 Ge2 H43 K5 O98 W22 | C 1 2/c 1 | 41.05; 13.854; 19.29 90; 113.268; 90 | 10078 | Wang, Jingping; Han, Ruijuan; Du, Xiaodi; Niu, Jingyang Synthesis, Structure, and Properties of Alkaline-earth-substituted Tungstogermanate: [K2.5(H2O)1.5]2H3[Ca2(GeW11O39)(H2O)5]2·7H2O Chemistry Letters, 2008, 37, 110 |
| 8000181 | CIF | C35 H49 Fe N2 O5 P2 Rh | P 21 21 21 | 11.659; 15.682; 19.626 90; 90; 90 | 3588.35 | Kubo, Kazuyuki; Akimoto, Takashi; Mizuta, Tsutomu; Miyoshi, Katsuhiko Synthesis of a Hetero-bimetallic Complex with an Inorganic Cyclic Framework Using a Bis(iminophosphorane)iron Complex as a Chelating Ligand Chemistry Letters, 2008, 37, 166 |
| 8000182 | CIF | C34 H54 S2 | P -1 | 4.187; 5.9; 31.8 85.15; 88.81; 82.03 | 775.2 | Kashiki, Tomoya; Miyazaki, Eigo; Takimiya, Kazuo 2,6-Dialkylbenzo[1,2-b:4,5-b′]dithiophenes (Cn-BDTs) as Soluble Organic Semiconductors for Solution-processed Organic Field-effect Transistors Chemistry Letters, 2008, 37, 284 |
| 8000183 | CIF | C16 H16 N2 O4 S | P 21 21 21 | 6.882; 10.123; 22.22 90; 90; 90 | 1548 | Nakao, Yoshiaki; Takeda, Masahide; Chen, Jinshui; Hiyama, Tamejiro; Ichikawa, Yoshitaka; Shintani, Ryo; Hayashi, Tamio Rhodium-catalyzed Addition of Organo[2-(hydroxymethyl)phenyl]dimethylsilanes to Arenesulfonylimines Chemistry Letters, 2008, 37, 290 |
| 8000184 | CIF | C22 H30 O7 | P 1 21 1 | 7.1629; 14.2956; 10.1682 90; 91.774; 90 | 1040.7 | Li, Ping-Lin; Zhang, Zhan-Xin; Jia, Zhong-Jian Four New Eremophilane Derivatives from Ligularia sagitta Chemistry Letters, 2008, 37, 308 |
| 8000185 | CIF | C44 H44 Cl2 P2 Pd S | C 1 2/c 1 | 33.551; 14.137; 23.109 90; 133.018; 90 | 8014 | Morohashi, Naoya; Akahira, Yuki; Tanaka, Shinya; Nishiyama, Kensuke; Kajiwara, Takashi; Hattori, Tetsutaro Synthesis of a Sulfur-bridged Diphosphine Ligand and Its Unique Complexation Properties toward Palladium(II) Ion Chemistry Letters, 2008, 37, 418 |
| 8000186 | CIF | C45 H44 Cl F3 O3 P2 Pd S2 | P -1 | 9.716; 14.243; 17.332 74.498; 83.536; 71.315 | 2188.5 | Morohashi, Naoya; Akahira, Yuki; Tanaka, Shinya; Nishiyama, Kensuke; Kajiwara, Takashi; Hattori, Tetsutaro Synthesis of a Sulfur-bridged Diphosphine Ligand and Its Unique Complexation Properties toward Palladium(II) Ion Chemistry Letters, 2008, 37, 418 |
| 8000187 | CIF | C46.5 H49 Cl9 P2 Pd2 S | P 1 21/n 1 | 16.0327; 16.3617; 19.3823 90; 94.272; 90 | 5070.3 | Morohashi, Naoya; Akahira, Yuki; Tanaka, Shinya; Nishiyama, Kensuke; Kajiwara, Takashi; Hattori, Tetsutaro Synthesis of a Sulfur-bridged Diphosphine Ligand and Its Unique Complexation Properties toward Palladium(II) Ion Chemistry Letters, 2008, 37, 418 |
| 8000188 | CIF | C14 H8 Au2 F2 Fe N6 | P 1 21/c 1 | 9.0141; 13.8546; 15.4343 90; 96.343; 90 | 1915.7 | Kosone, Takashi; Kachi-Terajima, Chihiro; Kanadani, Chikahide; Saito, Toshiaki; Kitazawa, Takafumi A Two-step and Hysteretic Spin-crossover Transition in New Cyano-bridged Hetero-metal FeIIAuI 2-Dimensional Assemblage Chemistry Letters, 2008, 37, 422 |
| 8000189 | CIF | C35 H34 O9 | P 1 21/n 1 | 16.62; 9.987; 17.906 90; 91.421; 90 | 2971 | Xie, Zhao-Yang; Hou, Nai-Tao; Zhu, Yi-Zhou; Song, Hai-Bin; Zheng, Jian-Yu Novel Hydrophilic Cages Based on Acetone Complex with Calix[4]arene Dimethoxycarboxylic Acid Chemistry Letters, 2008, 37, 478 |
| 8000190 | CIF | C15 H30 Co N3 O2 S2 | P 1 21/n 1 | 10.9002; 11.9994; 16.2633 90; 95.334; 90 | 2117.96 | Yano, Takuma; Wasada-Tsutsui, Yuko; Kajita, Yuji; Shibayama, Tomonori; Funahasi, Yasuhiro; Ozawa, Tomohiro; Masuda, Hideki Effect of an Asymmetrically Arranged Equatorial Chelate Ring in an Active Site of Nitrile Hydratase Chemistry Letters, 2008, 37, 66 |
| 8000191 | CIF | C4 H6 B F3 N2 | P n m a | 11.538; 6.635; 8.259 90; 90; 90 | 632.3 | Takao, Koichiro; Ikeda, Yasuhisa Alternative Route to Metal Halide Free Ionic Liquids Chemistry Letters, 2008, 37, 682 |
| 8000192 | CIF | C30 H32 Cu N2 O6 | P 1 2/n 1 | 14.5; 11.36; 18.43 90; 107.93; 90 | 2888 | Shibuya, Yuhki; Nabari, Keiko; Kondo, Mitsuru; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Kawaguchi, Hiroyuki The Copper(II) Complex with Two Didentate Schiff Base Ligands. The Unique Rearrangment that Proceeds under Alcohol Vapor in the Solid State to Construct Noninclusion Structure Chemistry Letters, 2008, 37, 78 |
| 8000193 | CIF | C26 H20 Cu N2 O4 | P 1 21/n 1 | 9.826; 15.11; 15.174 90; 93.008; 90 | 2250 | Shibuya, Yuhki; Nabari, Keiko; Kondo, Mitsuru; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Kawaguchi, Hiroyuki The Copper(II) Complex with Two Didentate Schiff Base Ligands. The Unique Rearrangment that Proceeds under Alcohol Vapor in the Solid State to Construct Noninclusion Structure Chemistry Letters, 2008, 37, 78 |
| 8000194 | CIF | C9 H8 S6 | P 1 21/c 1 | 7.486; 19.419; 8.545 90; 94.541; 90 | 1238.3 | Iwamoto, Shintaro; Watanabe, Shunsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Misaki, Yohji Synthesis and Properties of New Tetrathiapentalene Donors Composed of Vinylogous TTFs Chemistry Letters, 2008, 37, 82 |
| 8000195 | CIF | C20 H23 N2 O S8 | P -1 | 10.962; 17.938; 6.67 99.25; 100.63; 87.81 | 1272.2 | Fujiwara, Emiko; Aonuma, Shuji; Fujiwara, Hideki; Sugimoto, Toyonari; Misaki, Yohji New π-Electron Donors with a 2,2,5,5-Tetramethylpyrrolin-1-yloxyl Radical Designed for Magnetic Molecular Conductors Chemistry Letters, 2008, 37, 84 |
| 8000196 | CIF | C23 H26 Co N4 O7 S | P 1 21/n 1 | 9.629; 16.286; 15.267 90; 105.031; 90 | 2312.2 | Masuhara, Naoji; Hayami, Shinya; Motokawa, Natsuko; Shuto, Aya; Inoue, Katsuya; Maeda, Yonezo Crystal Structure and Magnetic Property of Two Novel 1-D Cobalt(II) Assemblies Chemistry Letters, 2007, 36, 90 |
| 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 |
| 8000209 | CIF | La2 Nb O10 Rb Ti2 | P 4/m m m | 3.8351; 3.8351; 15.2273 90; 90; 90 | 223.963 | Hong, Y.-S.; Kim, K. New-type ordering behaviour in the layered perovskite compound Rb La2 Ti2 Nb O10 Chemistry Letters, 2000, 2000, 690-691 |
| 8000210 | CIF | Al95.04 K128.08 O384 Si96.96 | F 2 3 | 24.63409; 24.63409; 24.63409 90; 90; 90 | 14948.9 | Ikeda, T.; Kodaira, T.; Ohshima, K.; Izumi, F.; Kamiyama, T. Neutron powder diffraction study of potassium clusters in zeolite K-LTA Chemical Physics Letters, 2000, 318, 93-101 |
| 8000211 | CIF | Mn0.034 Sn0.966 Te | F m -3 m | 6.30245; 6.30245; 6.30245 90; 90; 90 | 250.339 | Iwanowski, R.J.; Paszkowicz, W.; Lawniczak-Jablonska, K.; Heinonen, M.H.; Witkowska, B.; Feldhaus, J. Mn - Te bond in the rocksalt Sn1-x Mnx Te alloys and octahedral radius of Mn : X-ray absorption- and diffraction study Chemical Physics Letters, 2001, 336, 226-233 |
| 8000212 | CIF | Ge5 H2 O11 | C 1 2/m 1 | 7.3178; 14.392; 7.7401 90; 100.08; 90 | 802.587 | Xu Yan; Uehara, K.; Fan Wei; Chino, N.; Hikishi, S.; Mizuno, N.; Ogura, H.; Okubo, T. The hydrothermal synthesis and crystal structure of (H2 O) [Ge5 O10] and [(C H3)4 N] [Ge10 O20 O H], two novel porous germanates Chemistry Letters, 2004, 33, 74-75 |
| 8000213 | CIF | H2 Na O4 P | P 1 21/c 1 | 6.808; 13.491; 7.331 90; 92.88; 90 | 672.478 | Choudhary, R.N.P.; Nelmes, R.J.; Rouse, K.D. A room-temperature neutron-diffraction study of Na H2 P O4 Chemical Physics Letters, 1981, 78, 102-105 |
| 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 |
| 8000215 | CIF | C60 | I m m m | 9.026; 9.083; 15.077 90; 90; 90 | 1236.06 | Chen, X.; Yamanaka, S. Single-crystal X-ray structural refinement of the "tetragonal" C60 polymer Chemical Physics Letters, 2002, 360, 501-508 |
| 8000216 | CIF | C60 | R -3 m :H | 9.175; 9.175; 24.568 90; 90; 120 | 1791.07 | Chen, X.; Yasukawa, M.; Yamanaka, S.; Sako, K.; Inoue, Y. First single-crystal X-ray structural refinement of the rhombohedral C60 polymer Chemical Physics Letters, 2002, 356, 291-297 |
| 8000217 | CIF | H15 N3 O10 P2 Zr | P 1 | 8.1432; 12.718; 5.2463 91.85; 92.16; 74.25 | 522.426 | Wang, D.; Yu, R.; Kajiyoshi, K.; Takei, T.; Onda, A.; Yanagisawa, K.; Kinomura, N.; Kumada, N. Non-aqueous synthesis and structure of a novel monodimensional zirconium phosphate : (N H4)3 (Zr (O H)2 (P O4) (H P O4)) Chemistry Letters, 2002, 2002, 398-399 |
| 8000218 | CIF | H I Li2 O | P n m a | 10.339; 5.567; 6.643 90; 90; 90 | 382.353 | Gajewski, G.; Mierzwicki, K.; Latajka, Z. Crystal structure and bonding properties of Li2 I (O H) Chemical Physics Letters, 2003, 369, 139-144 |
| 8000219 | CIF | C60 | P 42/m m c | 9.064; 9.064; 15.039 90; 90; 90 | 1235.55 | Narymbetov, B.Zh.; Agafonov, V.; Ceolin, R.; Davydov, V.A.; Kashevarova, L.S.; Dzyabchenko, A.V.; Rakhmanina, A.V.; Kulakov, V.I. The crystal structure of the 2D polymerized tetragonal phase of C60 Chemical Physics Letters, 2003, 367, 157-162 |
| 8000220 | CIF | Co0.05 Ga0.8 La0.8 Mg0.15 O2.8 Sr0.2 | R -3 c :H | 5.5587; 5.5587; 13.629 90; 90; 120 | 364.704 | Yashima, M.; Nomura, K.; Kageyama, H.; Adachi, K.; Chitose, N.; Miyazaki, Y. Conduction path and disorder in the fast oxide-ion conductor (La0.8 Sr0.2) (Ga0.8 Mg0.15 Co0.05) O2.8 Chemical Physics Letters, 2003, 380, 391-396 |
| 8000221 | CIF | Co0.05 Ga0.8 La0.8 Mg0.15 O2.8 Sr0.2 | P m -3 m | 3.9618; 3.9618; 3.9618 90; 90; 90 | 62.184 | Yashima, M.; Nomura, K.; Miyazaki, Y.; Kageyama, H.; Adachi, K.; Chitose, N. Conduction path and disorder in the fast oxide-ion conductor (La0.8 Sr0.2) (Ga0.8 Mg0.15 Co0.05) O2.8 Chemical Physics Letters, 2003, 380, 391-396 |
| 8000222 | CIF | La0.667 Mg0.5 O3 W0.5 | P 2 2 2 | 7.8157; 7.8344; 7.9067 90; 90; 90 | 484.138 | Torii, Y. Synthesis and superstructure of La0.667 (Mg0.5 W0.5)3 Chemistry Letters, 1979, 1979, 1215-1218 |
| 8000223 | CIF | As2 Pa | P 4/n m m :1 | 3.968; 3.968; 8.127 90; 90; 90 | 127.96 | Hery, Y.; Damien, D.; Haessler, M.; de Novion, C.H. Arseniures de protactinium: Pa As2 et Pa3 As4 Radiochemical and Radioanalytical Letters, 1978, 32, 283-292 |
| 8000224 | CIF | Ca H8 O7 S | C 1 2/c 1 | 19.384; 11.192; 11.449 90; 124.34; 90 | 2050.9 | Matsuno, T.; Ogura, H.; Takayanagi, H.; Furuhata, K.; Koishi, M. The crystal structure of calcium sulfite tetrahydrate Chemistry Letters, 1983, 1983, 459-462 |
| 8000225 | CIF | H20 La N5 O16 S4 | P -1 | 8.109; 9.491; 12.28 83.22; 70.71; 69.65 | 836.359 | Niinisto, L.; Toivonen, J.; Valkonen, J. The crystal structure of ammonium tetrasulfatolanthanate(III) (N H4)5 (La (S O4)4). An example of decacoordinated lanthanum Finnish Chemical Letters, 1980, 3, 87-92 |
| 8000226 | CIF | Ce H2 O8.5 S2 | P 1 m 1 | 7.095; 5.423; 9.24 90; 98.73; 90 | 351.401 | Yu Ranbo; Wang Dan; Ishiwata, S.; Xing Xianran; Chen Yunfa; Saito, T.; Takano, M. A novel open-framework cerium sulfate hydrate: Synthesis and characterization Chemistry Letters, 2004, 2004, 1186-1187 |
| 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 |
| 8000229 | CIF HKL | C16 H38 N4 Ni O12 S2 | C 1 2/c 1 | 18.5264; 17.9056; 8.901 90; 114.856; 90 | 2679.2 | N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; V.V. Atuchin First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2*2H2O (M = Co2+, Ni2+): crystal structure, spectroscopic and thermal properties. Chemical Physics Letters, 2016, 653, 54-59 |
| 8000230 | CIF HKL | C16 H38 Co N4 O12 S2 | C 1 2/c 1 | 18.5729; 18.0013; 8.8812 90; 114.882; 90 | 2693.7 | N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov; V.V. Atuchin First outer-sphere 1,3-diethyl-2-thiobarbituric compounds [M(H2O)6](1,3-diethyl-2-thiobarbiturate)2*2H2O (M = Co2+, Ni2+): crystal structure, spectroscopic and thermal properties. Chemical Physics Letters, 2016, 653, 54-59 |
| 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 |
| 8000258 | CIF | C17 H17 N3 O | P -1 | 4.8686; 15.1351; 19.0283 94.372; 93.841; 93.639 | 1391.6 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 8000259 | CIF | C16 H16 N4 O | P 1 21/m 1 | 9.3005; 6.6121; 11.8267 90; 106.276; 90 | 698.14 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 8000260 | CIF | C18 H18 N2 O | P 1 21/c 1 | 4.783; 25.5753; 11.9469 90; 98.639; 90 | 1444.84 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 8000261 | CIF | C16 H15 N3 O | P -1 | 5.9164; 13.074; 18.5711 109.499; 93.229; 94.402 | 1344.97 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 8000262 | CIF | C15 H14 N4 O | P 1 21/n 1 | 9.772; 5.8461; 22.078 90; 91.411; 90 | 1260.9 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 8000263 | CIF | C15 H15 N5 O | C 1 2/c 1 | 20.3189; 10.8268; 15.6023 90; 129.107; 90 | 2663.4 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 8000264 | CIF | C17 H17 N3 O | P 1 21/c 1 | 7.9379; 19.6844; 9.5568 90; 100.934; 90 | 1466.17 | Garrett C. Moraski; Allen G. Oliver; Lowell D. Markley; Sanghyun Cho; Scott G. Franzblau; Marvin J. Miller Scaffold-switching: An exploration of 5,6-fused bicyclic heteroaromatics systems to afford antituberculosis activity akin to the imidazo[1,2-a]pyridine-3-carboxylates Bioorganic & Medicinal Chemistry Letters, 2014, 24, 3493-3498 |
| 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 |
| 8000309 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9587; 12.2796; 5.7876 90; 90; 90 | 423.48 | 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 |
| 8000310 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9587; 12.2796; 5.7876 90; 90; 90 | 423.48 | 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 |
| 8000311 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9587; 12.2796; 5.7876 90; 90; 90 | 423.48 | 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 |
| 8000312 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | 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 |
| 8000313 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | 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 |
| 8000314 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9279; 12.2597; 5.7939 90; 90; 90 | 421.07 | 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 |
| 8000315 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9596; 12.2828; 5.7899 90; 90; 90 | 423.824 | 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 |
| 8000316 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9596; 12.2828; 5.7899 90; 90; 90 | 423.824 | 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 |
| 8000317 | CIF | C3 H7 N O2 | P 21 21 21 | 5.9596; 12.2828; 5.7899 90; 90; 90 | 423.824 | 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 |
| 8000318 | CIF | C28 H43 N5 O10 | P 21 21 21 | 10.851; 13.095; 21.192 90; 90; 90 | 3011.3 | 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 |
| 8000319 | CIF | C28 H43 N5 O10 | P 21 21 21 | 10.851; 13.095; 21.192 90; 90; 90 | 3011.3 | 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 |
| 8000320 | CIF | C28 H43 N5 O10 | P 21 21 21 | 10.851; 13.095; 21.192 90; 90; 90 | 3011.3 | 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 |
| 8000321 | CIF | C60 H56 Cl Ir N6 | P -1 | 15.7708; 18.1452; 20.416 75.089; 68.707; 78.676 | 5225.7 | 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 |
| 8000322 | CIF | C99 H96 Cl2 Ir2 N10 O3 | P -1 | 14.7346; 14.9699; 23.4455 74.694; 79.203; 80.84 | 4866.79 | 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 |
| 8000323 | CIF | C14 H14 | P 1 21/n 1 | 7.7534; 6.1617; 11.687 90; 100.352; 90 | 549.25 | 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 |
| 8000324 | CIF | C20 H26 | P -1 | 5.5945; 6.5367; 11.7666 102.817; 100.053; 102.883 | 397.49 | 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 |
| 8000325 | CIF | C H6 I N | P 4/n m m :2 | 5.124; 5.124; 9.039 90; 90; 90 | 237.3 | 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, 2019, 10, 7245-7250 |
| 8000326 | CIF | C19 H18 N5 O4 | P 1 21/c 1 | 9.0182; 24.4582; 8.5723 90; 116.569; 90 | 1691.11 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000327 | CIF | C19 H18 N5 O4 | P 1 21/c 1 | 9.0479; 24.4512; 8.63 90; 116.789; 90 | 1704.32 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000328 | CIF | C19 H18 N5 O4 | P 1 21/c 1 | 9.0743; 24.4428; 8.6752 90; 117.006; 90 | 1714.36 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000329 | CIF | C19 H18 N4 O5 | P 1 21/c 1 | 9.0145; 24.45; 8.565 90; 116.585; 90 | 1688.17 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000330 | CIF | C13 H14 N6 O6 | P -1 | 7.3987; 7.8597; 13.983 79.178; 76.444; 67.127 | 724.07 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000331 | CIF | C13 H14 N6 O6 | P -1 | 7.4335; 7.8619; 14.0401 78.971; 76.114; 67.082 | 729.26 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000332 | CIF | C12 H14 N6 O6 | P -1 | 7.45886; 7.8664; 14.0846 78.745; 75.831; 67.053 | 733.24 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000333 | CIF | C13 H14 N6 O6 | P -1 | 7.4144; 7.8692; 13.9978 79.205; 76.448; 67.097 | 727.15 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000334 | CIF | C13 H14 N6 O6 | P -1 | 7.47; 7.83; 14.1 78.2; 75.3; 66.7 | 727.61 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000335 | CIF | C13 H14 N6 O6 | P -1 | 7.47; 7.83; 14.1 78.2; 75.3; 66.7 | 727.61 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000336 | CIF | C21 H16 F4 N4 O6 | P -1 | 6.79266; 7.42265; 20.4135 93.5078; 99.2464; 90.7721 | 1013.68 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000337 | CIF | C21 H16 F4 N4 O6 | P -1 | 6.80954; 7.4556; 20.4333 93.733; 99.374; 90.457 | 1021.18 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000338 | CIF | C21 H16 F4 N4 O6 | P -1 | 6.8289; 7.4919; 20.4608 94.001; 99.524; 90.156 | 1029.75 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000339 | CIF | C21 H16 F4 N4 O6 | P -1 | 6.7952; 7.4236; 20.4083 93.501; 99.23; 90.718 | 1014.01 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000340 | CIF | C21 H16 F4 N4 O6 | P -1 | 6.8745; 7.5733; 20.5303 94.526; 99.28; 90.55 | 1051.31 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000341 | CIF | C21 H16 F4 N4 O6 | P -1 | 6.8745; 7.5733; 20.5303 94.526; 99.28; 90.55 | 1051.31 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000342 | CIF | C10 H14 N2 O4 | P -1 | 3.80841; 8.3454; 8.5998 81.922; 80.362; 85.796 | 266.446 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000343 | CIF | C10 H14 N2 O4 | P -1 | 3.84026; 8.3386; 8.6155 82.02; 80.617; 86.006 | 269.25 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000344 | CIF | C10 H14 N2 O4 | P -1 | 3.87078; 8.3374; 8.6101 82.173; 80.895; 86.179 | 271.521 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000345 | CIF | C10 H14 N2 O4 | P -1 | 3.8078; 8.3463; 8.5971 81.918; 80.381; 85.89 | 266.383 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000346 | CIF | C10 H14 N2 O4 | P -1 | 3.9491; 8.3309; 8.6409 82.304; 81.08; 86.244 | 278.02 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000347 | CIF | C10 H14 N2 O4 | P -1 | 3.9491; 8.3309; 8.6409 82.304; 81.08; 86.244 | 278.02 | 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 CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions. The journal of physical chemistry letters, 2019, 10, 7224-7229 |
| 8000348 | CIF | C192 H216 Ag3.96 Au34.04 S24 | P -1 | 18.8585; 22.2711; 29.2473 96.472; 106.952; 111.124 | 10629 | Kumara, Chanaka; Gagnon, Kevin J.; Dass, Amala X-ray Crystal Structure of Au38-xAgx(SCH2CH2Ph)24 Alloy Nanomolecules. The journal of physical chemistry letters, 2015, 6, 1223-1228 |
| 8000349 | CIF | C60 H86 O6 | P -1 | 6.6764; 13.184; 17.361 73.665; 83.571; 83.54 | 1452 | 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, 2016, 7, 4086-4092 |
| 8000350 | CIF | C60 H86 O6 | P -1 | 7.1245; 12.6264; 16.7681 101.132; 101.941; 103.882 | 1385.09 | 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, 2016, 7, 4086-4092 |
| 8000351 | CIF | C60 H86 O6 | P -1 | 5.6873; 11.0563; 21.3282 76.848; 83.218; 89.785 | 1296.44 | 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, 2016, 7, 4086-4092 |
| 8000352 | CIF | C31 H51 B Cl Co N9 O3 | P -1 | 8.1868; 8.2071; 29.482 84.999; 84.042; 63.879 | 1767.1 | 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, 2016, 7, 4111-4116 |
| 8000353 | CIF | C31 H51 B Cl Co N9 O3 | P 1 21/c 1 | 32.44; 8.0312; 13.936 90; 90.734; 90 | 3630.5 | 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, 2016, 7, 4111-4116 |
| 8000354 | CIF | C16 H9 Br | P 21 21 21 | 4.266; 13.533; 19.669 90; 90; 90 | 1135.5 | 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, 2016, 7, 4751-4756 |
| 8000355 | CIF | C32 H18 | P 1 21/c 1 | 30.4984; 3.9613; 16.2415 90; 92.412; 90 | 1960.45 | 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, 2016, 7, 4751-4756 |
| 8000356 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.1071; 7.0985; 10.6748 90; 95.017; 90 | 460.99 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000357 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.1054; 7.0878; 10.6638 90; 95.094; 90 | 459.64 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000358 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.1006; 7.0942; 10.6767 90; 95.052; 90 | 460.28 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000359 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.0947; 7.0901; 10.6768 90; 95.09; 90 | 459.55 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000360 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.0947; 7.0944; 10.6845 90; 95.116; 90 | 460.139 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000361 | CIF | C14 H18 Co N2 O5 | P 1 | 6.0709; 7.0907; 10.6664 89.559; 95.237; 92.593 | 456.77 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000362 | CIF | C14 H18 Co N2 O5 | P 1 | 6.0538; 7.0936; 10.6609 89.535; 95.383; 93.181 | 455.09 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000363 | CIF | C14 H18 Co N2 O5 | P 1 | 6.047; 7.0945; 10.6587 89.505; 95.443; 93.326 | 454.43 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000364 | CIF | C14 H18 Co N2 O5 | P 1 | 6.0405; 7.0949; 10.6576 89.484; 95.509; 93.428 | 453.82 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000365 | CIF | C14 H18 Co N2 O5 | P 1 | 6.0307; 7.097; 10.6526 89.391; 95.588; 93.571 | 452.88 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000366 | CIF | C14 H18 Co N2 O5 | P 1 | 6.0076; 7.0951; 10.6488 89.126; 95.853; 93.642 | 450.6 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000367 | CIF | C14 H18 Co N2 O5 | P 1 | 5.9924; 7.0915; 10.6453 88.987; 96.008; 93.603 | 448.97 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000368 | CIF | C14 H18 Co N2 O5 | P 1 | 5.9793; 7.0877; 10.6426 88.93; 96.108; 93.52 | 447.59 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000369 | CIF | C14 H17 Co N2 O5 | P 1 m 1 | 6.0764; 7.0959; 10.704 90; 95.196; 90 | 459.63 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000370 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.0655; 7.074; 10.725 90; 95.28; 90 | 458.2 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000371 | CIF | C14 H16 Co N2 O5 | P 1 m 1 | 6.0509; 7.0817; 10.657 90; 95.19; 90 | 454.8 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000372 | CIF | C14 H18 Co N2 O5 | P 1 | 6.006; 7.0672; 10.657 89.92; 95.2; 92.71 | 450 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000373 | CIF | C14 H18 Co N2 O5 | P 1 | 5.9847; 7.0514; 10.628 90.03; 95.46; 93.21 | 445.8 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000374 | CIF | C14 H18 Co N2 O5 | P 1 | 5.9454; 7.058; 10.616 90.27; 95.74; 94.245 | 442 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000375 | CIF | C14 H18 Co N2 O5 | P 1 | 5.958; 7.069; 10.669 90; 95.21; 92.76 | 447 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000376 | CIF | C14 H18 Co N2 O5 | P 1 | 5.9012; 7.0666; 10.625 90.369; 96.279; 94.712 | 438.88 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000377 | CIF | C14 H18 Co N2 O5 | P 1 | 5.8752; 7.0561; 10.609 90.36; 96.55; 94.743 | 435.38 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000378 | CIF | C14 H18 Co N2 O5 | P 1 | 5.8426; 7.0452; 10.585 90.43; 96.62; 94.933 | 431.13 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000379 | CIF | C14 H18 Co N2 O5 | P 1 | 5.8059; 7.0187; 10.556 90.42; 96.96; 95.048 | 425.26 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000380 | CIF | C14 H18 Co N2 O5 | P 1 | 5.7562; 6.9942; 10.529 90.32; 97.38; 95.055 | 418.69 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000381 | CIF | C14 H18 Co N2 O5 | P 1 | 5.73; 6.986; 10.533 89.56; 97.77; 95.04 | 416.1 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000382 | CIF | C14 H18 Co N2 O5 | P 1 | 5.7216; 6.9763; 10.501 89.95; 97.84; 94.966 | 413.7 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000383 | CIF | C14 H18 Co N2 O5 | P 1 | 5.6799; 6.9641; 10.479 88.725; 98.587; 94.902 | 408.34 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000384 | CIF | C14 H18 Co N2 O5 | P 1 | 5.639; 6.945; 10.465 88.69; 98.8; 94.7 | 403.6 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000385 | CIF | C14 H18 Co N2 O5 | P 1 | 5.6089; 6.9221; 10.434 87.77; 99.6; 94.788 | 397.91 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000386 | CIF | C14 H18 Co N2 O5 | P 1 | 5.571; 6.8976; 10.411 87.263; 100.31; 94.672 | 392.1 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000387 | CIF | C14 H18 Co N2 O5 | P 1 m 1 | 6.115; 7.1238; 10.661 90; 94.83; 90 | 462.8 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000388 | CIF | C14 H16 Co N2 O5 | P 1 | 5.744; 6.981; 10.557 90.04; 97.92; 94.77 | 417.8 | Andrzejewski, Michał; Katrusiak, Andrzej Piezochromic Porous Metal-Organic Framework. The journal of physical chemistry letters, 2017, 8, 279-284 |
| 8000389 | CIF | C40 H54 Cl I3 N4 O2 Pb | P 1 21/c 1 | 16.3649; 33.5729; 8.0898 90; 97.21; 90 | 4409.5 | 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, 2018, 9, 2438-2442 |
| 8000390 | CIF | C39 H23 Eu F9 N3 O6 S3 | P -1 | 10.03872; 10.41729; 19.6956 76.455; 80.489; 88.925 | 1974.45 | 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, 2018, 9, 2151-2157 |
| 8000391 | CIF | C216 H144 Cu25 F36 P12 | P n c 2 | 34.557; 22.3796; 32.859 90; 90; 90 | 25412 | 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, 2019, 10, 6124-6128 |
| 8000392 | CIF | C216 H144 Au Cu24 F36 P12 | P n c 2 | 34.5313; 22.4275; 32.5487 90; 90; 90 | 25207.4 | 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, 2019, 10, 6124-6128 |
| 8000393 | CIF | C216 H180 Au Cu24 P12 | P b c a | 33.383; 38.6374; 39.1118 90; 90; 90 | 50448 | 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, 2019, 10, 6124-6128 |
| 8000394 | CIF | C202 H181 N10 S | C 1 2/c 1 | 35.5019; 16.1885; 33.0801 90; 112.283; 90 | 17592.1 | Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang Polarized Species in an Organic Semiconductor Laser. The journal of physical chemistry letters, 2019, 10, 7905-7909 |
| 8000395 | CIF | C4 H12 Br4 Cd F4 N2 | P b c a | 7.8696; 7.664; 22.6439 90; 90; 90 | 1365.71 | 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 (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying. The journal of physical chemistry letters, 2020, 11, 199-205 |
| 8000396 | CIF | C32 H44 Cu4 I4 N4 | P 21 21 21 | 7.54153; 12.0777; 45.1161 90; 90; 90 | 4109.4 | 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 |
| 8000397 | CIF | C32 H44 Cu4 I4 N4 | P 21 21 21 | 7.54722; 12.06809; 45.0822 90; 90; 90 | 4106.11 | 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 |
| 8000398 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5502; 15.2672; 30.9195 80.2982; 89.4414; 87.9701 | 3510.9 | 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 |
| 8000399 | CIF | C48 H24 Cl12 O6 S4 | P -1 | 7.1738; 7.6722; 21.6585 96.19; 98.569; 92.3536 | 1169.9 | 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 |
| 8000400 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.6289; 7.701; 30.698 85.794; 89.5306; 88.5438 | 1798.04 | 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 |
| 8000401 | CIF | C38 H16 Cl8 O4 S4 | P -1 | 7.6555; 7.6969; 15.9629 98.1455; 93.3158; 92.2872 | 928.44 | 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 |
| 8000402 | CIF | C38 H16 Cl8 O4 S4 | P -1 | 7.5809; 15.1973; 17.0179 67.017; 82.633; 87.047 | 1790.1 | 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 |
| 8000403 | CIF | C48 H24 Cl12 O6 S4 | P -1 | 7.3358; 7.7383; 21.822 96.2006; 98.4849; 93.0166 | 1215.1 | 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 |
| 8000404 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5963; 7.6826; 30.6464 85.5932; 89.6875; 88.448 | 1782.55 | 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 |
| 8000405 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5923; 7.6803; 30.6429 85.5655; 89.7179; 88.4239 | 1780.79 | 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 |
| 8000406 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5852; 7.6749; 30.624 85.5563; 89.7552; 88.3859 | 1776.7 | 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 |
| 8000407 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5797; 7.6692; 30.6092 85.6093; 89.79; 88.3051 | 1773.32 | 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 |
| 8000408 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5747; 7.6588; 30.5803 85.7079; 89.8361; 88.1942 | 1768.2 | 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 |
| 8000409 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5681; 7.6518; 30.5589 85.7256; 89.8676; 88.1423 | 1763.8 | 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 |
| 8000410 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.5454; 7.6338; 30.5119 85.5906; 89.9846; 88.0361 | 1751.25 | 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 |
| 8000411 | CIF | C40 H20 Cl4 N4 O2 S4 | P -1 | 7.531; 15.22; 30.7947 80.415; 89.44; 88.111 | 3478.5 | 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 |
| 8000412 | CIF | C38 H16 Cl8 O4 S4 | P -1 | 7.6224; 7.6188; 15.8758 97.7456; 93.2272; 92.4714 | 910.9 | 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 |
| 8000413 | CIF | C38 H16 Cl8 O4 S4 | P -1 | 7.6001; 15.2128; 17.0597 67.0648; 82.4814; 87.1754 | 1800.9 | 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 |
| 8000414 | CIF | C48 H24 Cl12 O6 S4 | P -1 | 7.1814; 7.674; 21.6396 96.108; 98.58; 92.34 | 1170.57 | 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 |
| 8000415 | CIF | C18 H17 N O5 | P 21 21 21 | 7.3855; 9.2351; 24.6276 90; 90; 90 | 1679.75 | Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli Self-Assembly Evolution of <i>N</i>-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality. The journal of physical chemistry letters, 2020, 11, 1490-1496 |
| 8000416 | CIF | C16 H0 B8 F32 N5.33 Rb2.67 | F m -3 c | 14.341; 14.341; 14.341 90; 90; 90 | 2949.43 | 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 |
| 8000417 | CIF | C6 H18 B3 F12 N3 | P a -3 | 14.2205; 14.2205; 14.2205 90; 90; 90 | 2875.71 | 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 |
| 8000418 | CIF | C48 H0 B24 F96 N24 | F m -3 c | 14.3006; 14.3006; 14.3006 90; 90; 90 | 2924.58 | 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 |
| 8000419 | CIF | C6 H14 B3 F12 N2 Rb | P a -3 | 14.2492; 14.2492; 14.2492 90; 90; 90 | 2893.15 | 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 |
| 8000420 | CIF | C12 H32 Cl8 N4 Sn | C 1 2/c 1 | 24.8035; 7.9768; 14.8847 90; 121.21; 90 | 2518.76 | 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 |
| 8000421 | CIF | C67.28 H51.67 Cl1.19 N4 O12.68 Zn | P 1 21 1 | 13.6905; 19.3639; 28.2678 90; 97.376; 90 | 7431.8 | 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 |
| 8000422 | CIF | C24 H18 Cu3 N9 | P n a 21 | 25.5422; 10.3454; 34.6772 90; 90; 90 | 9163.3 | 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 |
| 8000423 | CIF | C24 H18 Cu3 N9 | P n a 21 | 25.6853; 10.4956; 35.037 90; 90; 90 | 9445.4 | 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 |
| 8000424 | CIF | C48 H36 Ag6 N18 | P 1 21/n 1 | 11.592; 8.3296; 25.2621 90; 102.944; 90 | 2377.24 | 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 |
| 8000425 | CIF | C48 H36 Ag6 N18 | P 1 21/c 1 | 11.5674; 8.5459; 25.4385 90; 103.077; 90 | 2449.5 | 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 |
| 8000426 | CIF | C51 H48 Cu6 N18 O3 | P -1 | 7.1324; 18.7836; 18.9897 89.437; 79.51; 88.405 | 2500.57 | 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 |
| 8000427 | CIF | C24 H18 Cu3 N9 | P -1 | 7.214; 18.8723; 19.0253 89.557; 80.608; 89.749 | 2555.38 | 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 |
| 8000428 | CIF | C8 H20 Br4 N2 Pb | P n m a | 8.4804; 24.4406; 7.9107 90; 90; 90 | 1639.62 | 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, 2020, 11, 2510-2517 |
| 8000429 | CIF | C21 H21 Cl2 Fe N O3 | C 2 2 21 | 9.6818; 15.8107; 26.3785 90; 90; 90 | 4037.92 | 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, 2020, 11, 4147-4155 |
| 8000430 | CIF | C31 H30 Cl2 Fe N2 O6 | P 21 21 21 | 11.0166; 12.3581; 22.5772 90; 90; 90 | 3073.76 | 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, 2020, 11, 4147-4155 |
| 8000431 | CIF | C31 H30 Cl2 Fe N2 O6 | P 21 21 21 | 11.0155; 12.3587; 22.5754 90; 90; 90 | 3073.35 | 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, 2020, 11, 4147-4155 |
| 8000432 | CIF | C21 H21 Cl2 Fe N O3 | C 2 2 21 | 9.6682; 15.8378; 26.3801 90; 90; 90 | 4039.4 | 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, 2020, 11, 4147-4155 |
| 8000433 | CIF | C788 H832 Cu44 F48 P24 S36 Sb8 | P 1 21/n 1 | 26.564; 26.692; 33.045 90; 106.652; 90 | 22448 | 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, 2020, 11, 4891-4896 |
| 8000434 | CIF | C19 H14 I N | P 21 21 21 | 5.4967; 13.8112; 19.849 90; 90; 90 | 1506.86 | 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, 2020, 11, 4962-4969 |
| 8000435 | CIF | C19 H14 Br N | P 21 21 21 | 5.5364; 13.6786; 19.513 90; 90; 90 | 1477.7 | 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, 2020, 11, 4962-4969 |
| 8000436 | CIF | C17 H16 F N O2 | P b c a | 8.4897; 10.6452; 30.8917 90; 90; 90 | 2791.8 | 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 |
| 8000437 | CIF | C17 H16 F N O2 | P 1 21/c 1 | 15.4183; 12.1852; 7.8546 90; 104.549; 90 | 1428.4 | 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 |
| 8000438 | CIF | C17 H16 F N O2 | P 1 21/c 1 | 10.913; 11.7943; 11.5984 90; 111.525; 90 | 1388.73 | 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 |
| 8000439 | CIF | C80.5 H85 Cl7 F10 Ir2 N6 O2 S2 | P 1 21/n 1 | 11.0806; 15.6633; 23.814 90; 96.483; 90 | 4106.7 | 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 |
| 8000440 | CIF | C20 H32 Br4 Mn0.6 N2 Zn0.4 | P 1 21 1 | 9.5732; 9.1568; 15.2531 90; 94.935; 90 | 1332.13 | 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 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions. The journal of physical chemistry letters, 2020, 5956-5962 |
| 8000441 | CIF | C20 H32 Br4 Mn0.8 N2 Zn0.2 | P 1 21 1 | 9.5764; 9.1603; 15.2625 90; 94.924; 90 | 1333.93 | 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 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions. The journal of physical chemistry letters, 2020, 5956-5962 |
| 8000442 | CIF | C20 H32 Br4 N2 Zn | P 1 21 1 | 9.552; 9.134; 15.2067 90; 94.953; 90 | 1321.8 | 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 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions. The journal of physical chemistry letters, 2020, 5956-5962 |
| 8000443 | CIF | C20 H32 Br4 Mn N2 | P 1 21 1 | 9.59257; 9.17931; 15.29408 90; 94.8868; 90 | 1341.8 | 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 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions. The journal of physical chemistry letters, 2020, 5956-5962 |
| 8000444 | CIF | C20 H32 Br4 Mn0.2 N2 Zn0.8 | P 1 21 1 | 9.5593; 9.1402; 15.2225 90; 94.958; 90 | 1325.07 | 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 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions. The journal of physical chemistry letters, 2020, 5956-5962 |
| 8000445 | CIF | C20 H32 Br4 Mn0.4 N2 Zn0.6 | P 1 21 1 | 9.5667; 9.1487; 15.2381 90; 94.949; 90 | 1328.71 | 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 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions. The journal of physical chemistry letters, 2020, 5956-5962 |
| 8000446 | CIF | C60 Ag5.26 Au24.74 S18 | P 1 21/n 1 | 25.1222; 14.9693; 40.2014 90; 99.435; 90 | 14913.7 | Wijesinghe, Kalpani Hirunika; Sakthivel, Naga Arjun; Jones, Tanya; Dass, Amala Crystal Structure of Au<sub>30-<i>x</i></sub>Ag<sub> <i>x</i> </sub>(S-<i>t</i>Bu)<sub>18</sub> and Effect of the Ligand on Ag Alloying in Gold Nanomolecules. The journal of physical chemistry letters, 2020, 6312-6319 |
| 8000447 | CIF | C17 H30 I7 N3 Pb2 | P -1 | 8.722; 8.726; 22.533 97.604; 93.482; 90.36 | 1696.5 | 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 |
| 8000448 | CIF | C72 H162 Ag2.68 Au27.31 S18 | P 1 21/n 1 | 15.2662; 51.5233; 17.4781 90; 90.777; 90 | 13746.4 | 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, 2020, 11, 7307-7312 |
| 8000449 | CIF | C5 H3 K O3 | P 21 21 21 | 3.9649; 5.7919; 25.7992 90; 90; 90 | 592.46 | 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 |
| 8000450 | CIF | C94 H82 N4 O2 S4 | P -1 | 15.7472; 16.9033; 18.0345 64.976; 73.853; 84.654 | 4176.6 | 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, 2020, 11, 7908-7913 |
| 8000451 | CIF | C72 H64 Mn4 N40 O12 | P -4 21 c | 16.1196; 16.1196; 17.5219 90; 90; 90 | 4552.9 | 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, 2020, 11, 7960-7965 |
| 8000452 | CIF | C44 H0 Mn2 N22 O8 | I 4/m c m | 11.5389; 11.5389; 17.7377 90; 90; 90 | 2361.7 | 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, 2020, 11, 7960-7965 |
| 8000453 | CIF | C18 H Mn N10 O | P 21 21 21 | 11.6357; 12.2736; 16.6608 90; 90; 90 | 2379.4 | 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, 2020, 11, 7960-7965 |
| 8000454 | CIF | C36 H0 Mn2 N20 O2 | P n a 21 | 11.1875; 12.4566; 16.4477 90; 90; 90 | 2292.1 | 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, 2020, 11, 7960-7965 |
| 8000455 | CIF | C18 H8 Mn N10 O | P n a m | 11.6485; 12.2688; 16.6697 90; 90; 90 | 2382.32 | 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, 2020, 11, 7960-7965 |
| 8000456 | CIF | C26 H26 N2 O7 Zn2 | P 1 21/n 1 | 11.7122; 13.4138; 16.8162 90; 103.261; 90 | 2571.46 | 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, 2020, 11, 8164-8169 |
| 8000457 | CIF | C16 H16 Cl N3 O | P 1 21/c 1 | 15.198; 13.1294; 7.7881 90; 98.169; 90 | 1538.27 | 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 |
| 8000458 | CIF | C16 H16 Cl N3 O | P b c a | 11.3576; 8.0121; 67.179 90; 90; 90 | 6113.2 | 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 |
| 8000459 | CIF | C17 H20 Cl N3 O2 | P 1 21/c 1 | 15.5657; 6.4012; 17.6685 90; 102.526; 90 | 1718.57 | 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 |
| 8000460 | CIF | C18 H22 Cl N3 O2 | P 1 21/c 1 | 15.7804; 6.3813; 18.8376 90; 107.348; 90 | 1810.65 | 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 |
| 8000461 | CIF | C19 H24 Cl N3 O2 | P 1 21/c 1 | 14.9915; 6.3912; 20.0914 90; 105.829; 90 | 1852 | 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 |
| 8000462 | CIF | C72 H68 F24 N6 O20 P4 | P n n n :2 | 6.6837; 21.6852; 27.8092 90; 90; 90 | 4030.6 | 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 |
| 8000463 | CIF | C24 H18 B2 F8 N2 O4 | C 1 2/c 1 | 28.005; 6.9983; 14.0177 90; 119.983; 90 | 2379.6 | 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 |
| 8000464 | CIF | C25 H22 Br2 N2 O5 | P -1 | 6.8623; 12.6219; 15.1424 74.772; 82.398; 76.727 | 1228.08 | 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 |
| 8000465 | CIF | C72 H68 Cl4 N6 O36 | P n n n :2 | 6.6806; 20.8364; 27.965 90; 90; 90 | 3892.7 | 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 |
| 8000466 | CIF | C48 H74 Br9 In N6 O | P 1 21 1 | 10.2996; 26.3489; 22.2194 90; 92.337; 90 | 6024.96 | 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, 2020, 11, 10164-10172 |
| 8000467 | CIF | C16 H18 F6 I4 N2 Pb | P 1 21/c 1 | 18.1441; 8.418; 8.6907 90; 98.909; 90 | 1311.38 | 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, 2020, 11, 10144-10149 |
| 8000468 | CIF | C18 H9 I S2 | P 1 c 1 | 5.9937; 31.533; 7.4479 90; 91.034; 90 | 1407.4 | 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 |
| 8000469 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | 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 |
| 8000470 | CIF | C180 H270 Ag26 Au S19 | P 1 2/c 1 | 30.891; 17.628; 39.727 90; 99.02; 90 | 21366 | 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 |
| 8000471 | CIF | C42 H28 F4 | P -1 | 11.952; 12.348; 13.306 63.93; 85.6; 73.85 | 1692 | 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, 2020, 11, 10504-10510 |
| 8000472 | CIF | C42 H26 F4 | P 1 21/c 1 | 15.036; 11.848; 8.5039 90; 95.07; 90 | 1509 | 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, 2020, 11, 10504-10510 |
| 8000473 | CIF | C34 H20 N2 O2 | C 1 2/c 1 | 13.7963; 12.6757; 13.3735 90; 98.305; 90 | 2314.2 | 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, 2021, 12, 686-695 |
| 8000474 | CIF | C24 H25 N3 O | P 1 21/n 1 | 6.9687; 29.4628; 9.8722 90; 96.084; 90 | 2015.52 | 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, 2021, 12, 1814-1821 |
| 8000475 | CIF | C36 H34 N4 O | P 1 21/n 1 | 17.7928; 6.5327; 24.6135 90; 98.498; 90 | 2829.54 | 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, 2021, 12, 1814-1821 |
| 8000476 | CIF | C36 H32 N4 O | P 1 21/c 1 | 11.3082; 24.3551; 11.4415 90; 114.665; 90 | 2863.6 | 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, 2021, 12, 1814-1821 |
| 8000477 | CIF | C36 H32 N4 O | P 1 21 1 | 12.6111; 7.5598; 15.0851 90; 100.886; 90 | 1412.29 | 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, 2021, 12, 1814-1821 |
| 8000478 | CIF | C19 H24 Cl6 F N3 O4 Sn | P 1 21/c 1 | 17.1753; 10.1401; 17.1948 90; 119.018; 90 | 2618.7 | 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, 2021, 12, 1918-1925 |
| 8000479 | CIF | C19 H26 Cl6 F N3 O4 Pb2 | P 1 21/c 1 | 8.0389; 20.632; 17.359 90; 101.95; 90 | 2816.7 | 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, 2021, 12, 1918-1925 |
| 8000480 | CIF | C19 H22 Bi Cl6 F N3 O6 | P -1 | 7.987; 14.188; 14.544 70.746; 89.925; 76.317 | 1506.5 | 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, 2021, 12, 1918-1925 |
| 8000481 | CIF | C38 H14 F10 N4 O4 | P 1 21/n 1 | 4.8681; 7.9922; 37.653 90; 92.913; 90 | 1463.1 | 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 |
| 8000482 | CIF | C40 H60 Ag4 S4 | C 1 2/c 1 | 29.026; 6.5085; 22.952 90; 116.776; 90 | 3871.1 | 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 |
| 8000483 | CIF | Bi Cl Cs | P n m a | 18.589; 7.6364; 13.203 90; 90; 90 | 1874.2 | Tailor, Naveen Kumar; Maity, Partha; Saidaminov, Makhsud I.; Pradhan, Narayan; Satapathi, Soumitra Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs<sub>3</sub>Bi<sub>2</sub>Cl<sub>9</sub> Perovskite Single Crystal. The journal of physical chemistry letters, 2021, 12, 2286-2292 |
| 8000484 | CIF | C H6 Br3 N Pb | P 1 | 16.9314; 11.7303; 41.194 90; 90; 90 | 8181.6 | 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, MAPbBr<sub>3</sub>. The journal of physical chemistry letters, 2021, 12, 2358-2362 |
| 8000485 | CIF | C25 H19 N O | P 1 21/c 1 | 9.43162; 11.06107; 17.6072 90; 94.7508; 90 | 1830.54 | 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, 2021, 12, 3099-3105 |
| 8000486 | CIF | C25 H16 N2 | P 1 21/n 1 | 9.39192; 16.751; 12.0917 90; 106.29; 90 | 1825.95 | 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, 2021, 12, 3099-3105 |
| 8000487 | CIF | C25 H16 N2 | P 1 21/n 1 | 10.2793; 13.5906; 13.2253 90; 102.19; 90 | 1805.94 | 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, 2021, 12, 3099-3105 |
| 8000488 | CIF | C25 H16 N2 | R -3 :H | 31.8745; 31.8745; 10.1687 90; 90; 120 | 8947.1 | 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, 2021, 12, 3099-3105 |
| 8000489 | CIF | C25 H19 N O | P 1 21/c 1 | 20.4508; 11.98222; 16.482 90; 112.763; 90 | 3724.26 | 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, 2021, 12, 3099-3105 |
| 8000490 | CIF | C20 H14 N2 | P 1 21/c 1 | 11.0496; 12.7223; 11.0073 90; 99.6402; 90 | 1525.52 | 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, 2021, 12, 3099-3105 |
| 8000491 | CIF | C52 H16 N4 O8 | P 1 21/c 1 | 24.786; 38.64; 9.0207 90; 91.074; 90 | 8638 | 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 |
| 8000492 | CIF | C23 H21 N5 O | P 1 21/n 1 | 9.9272; 22.2895; 10.1168 90; 118.872; 90 | 1960.32 | 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, 2021, 12, 2912-2921 |
| 8000493 | CIF | C19 H15 N5 O | P 1 21/c 1 | 3.93525; 29.2968; 14.6279 90; 95.143; 90 | 1679.66 | 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, 2021, 12, 2912-2921 |
| 8000494 | CIF | C62 H32 F16 I2 N4 | P -1 | 4.8893; 15.372; 19.518 67.58; 89.54; 87.55 | 1354.8 | 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, 2021, 12, 4585-4592 |
| 8000495 | CIF | C28 H16 F6 N2 | P 1 21/c 1 | 14.799; 9.962; 15.092 90; 90.54; 90 | 2224.9 | 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, 2021, 12, 4585-4592 |
| 8000496 | CIF | C32 H24 O6 | C 1 2/c 1 | 11.5969; 13.4458; 15.9778 90; 107.103; 90 | 2381.2 | Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi Biradicaloid Behavior of a Twisted Double Bond. The journal of physical chemistry letters, 2021, 12, 4729-4734 |
| 8000497 | CIF | C60 H80 O6 | P 1 21/n 1 | 6.7405; 38.8619; 19.7039 90; 93.159; 90 | 5153.6 | Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi Biradicaloid Behavior of a Twisted Double Bond. The journal of physical chemistry letters, 2021, 12, 4729-4734 |
| 8000498 | CIF | C9 H30 Br7 N3 Pb2 | C c c 2 | 8.3262; 39.247; 8.3629 90; 90; 90 | 2732.8 | 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, 2021, 12, 4965-4971 |
| 8000499 | CIF | C11 H37 Br7 N4 Pb2 | C c c 2 | 8.325; 42.717; 8.325 90; 90; 90 | 2960.5 | 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, 2021, 12, 4965-4971 |
| 8000500 | CIF | C9 H30 Br7 N3 Pb2 | C 1 c 1 | 39.173; 8.3835; 8.3225 90; 90.789; 90 | 2732.9 | 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, 2021, 12, 4965-4971 |
| 8000501 | CIF | C0.28 N1.68 O24 Si12 | C m c 21 | 13.826; 17.372; 5.0259 90; 90; 90 | 1207.1 | 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, 2021, 12, 5059-5063 |
| 8000502 | CIF | C4 H12 Br3 N O Pb | P n m a | 15.343; 7.8403; 10.165 90; 90; 90 | 1222.8 | 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-<i>T</i><sub>c</sub> Phase Transitions. The journal of physical chemistry letters, 2021, 12, 5221-5227 |
| 8000503 | CIF | C4 H12 Br3 N O Pb | P 1 21/c 1 | 10.3827; 14.8485; 7.6353 90; 95.432; 90 | 1171.83 | 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-<i>T</i><sub>c</sub> Phase Transitions. The journal of physical chemistry letters, 2021, 12, 5221-5227 |
| 8000504 | CIF | C3.2 H8 Br1.2 N0.4 O0.4 Pb0.4 | P 63/m m c | 9.556; 9.556; 7.9 90; 90; 120 | 624.8 | 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-<i>T</i><sub>c</sub> Phase Transitions. The journal of physical chemistry letters, 2021, 12, 5221-5227 |
| 8000505 | CIF | C24 H8 F2 O5.78 Zr | F d -3 m :2 | 39.846; 39.846; 39.846 90; 90; 90 | 63264 | 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, 2021, 12, 5644-5648 |
| 8000506 | CIF | C24 H8 F2 O5.58 Zr | F d -3 m :2 | 39.823; 39.823; 39.823 90; 90; 90 | 63154 | 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, 2021, 12, 5644-5648 |
| 8000507 | CIF | C20 H18 N2 O6 | P -1 | 7.2332; 7.8762; 8.0903 76.673; 83.598; 88.515 | 445.7 | 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, 2021, 12, 5796-5801 |
| 8000508 | CIF | C34 H34 Fe N4 O8 | C 1 2 1 | 12.6429; 12.1175; 11.3048 90; 113.733; 90 | 1585.43 | 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 |
| 8000509 | CIF | C56 H66 Fe N4 O12 | P 1 | 12.1314; 12.1865; 12.2183 62.882; 85.647; 61.341 | 1387.1 | 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 |
| 8000510 | CIF | C333 H398 Ag45 Cl2 O26 S22 | P 1 21/n 1 | 26.2935; 41.0208; 40.3958 90; 104.188; 90 | 42241 | Du, Wenjun; Deng, Shiyao; Chen, Shuang; Jin, Shan; Zhen, Yaru; Pei, Yong; Zhu, Manzhou Anisotropic Evolution of Nanoclusters from Ag40 to Ag45: Halogen- and Defect-Induced Epitaxial Growth in Nanoclusters The Journal of Physical Chemistry Letters, 2021, 6654-6660 |
| 8000511 | CIF | C16 H36 Cl2 Cu N | C 1 2/c 1 | 13.0039; 9.7799; 15.7239 90; 92.691; 90 | 1997.51 | Peng, Hui; Wang, Xinxin; Tian, Ye; Dong, Tiantian; Xiao, Yonghao; Huang, Tao; Guo, Yongchang; Wang, Jianping; Zou, Bingsuo Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission The Journal of Physical Chemistry Letters, 2021, 6639-6647 |
| 8000512 | CIF | C55 H37 Eu F12 N4 O8 | P 1 | 10.079; 11.021; 12.037 94.336; 98.721; 91.7938 | 1316.6 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000513 | CIF | C53 H34 Br3 Eu F9 N3 O8 | P 1 | 10.198; 10.878; 12.588 98.433; 107.288; 98.919 | 1289.4 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000514 | CIF | C56 H43 Eu F9 N3 O8 | P 1 21 1 | 13.0611; 38.48; 16.0189 90; 90.703; 90 | 8050.4 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000515 | CIF | C56 H34 Eu F18 N3 O8 | P 1 21 1 | 12.815; 24.134; 18.953 90; 107.872; 90 | 5579 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000516 | CIF | C56 H43 Eu F9 N3 O8 S3 | P 41 21 2 | 17.2083; 17.2083; 37.945 90; 90; 90 | 11236.5 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000517 | CIF | C56 H34 Eu F9 N6 O8 | P 1 | 10.2252; 15.936; 16.583 83.578; 81.734; 86.63 | 2654.8 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000518 | CIF | C56 H34 Cl3 Eu F9 N3 O8 | P 1 | 10.3011; 11.0339; 12.1085 93.001; 97.851; 92.865 | 1359.23 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000519 | CIF | C56 H43 Eu F9 N3 O11 | P 1 | 10.396; 11.164; 12.73 100.881; 109.334; 97.095 | 1341.2 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000520 | CIF | C59 H49 Eu F9 N3 O11 | P 21 21 21 | 14.844; 18.882; 20.014 90; 90; 90 | 5610 | Okayasu, Yoshinori; Yuasa, Junpei Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines. The journal of physical chemistry letters, 2021, 6867-6874 |
| 8000521 | CIF | C9 H27 Cl5 N3 O Sb | P 1 21/n 1 | 9.1372; 17.9515; 12.0858 90; 90.47; 90 | 1982.32 | Wei, Qilin; Chang, Tong; Zeng, Ruosheng; Cao, Sheng; Zhao, Jialong; Han, Xinxin; Wang, Lishuang; Zou, Bingsuo Self-Trapped Exciton Emission in a Zero-Dimensional (TMA)<sub>2</sub>SbCl<sub>5</sub>·DMF Single Crystal and Molecular Dynamics Simulation of Structural Stability. The journal of physical chemistry letters, 2021, 7091-7099 |
| 8000522 | CIF | C18 H21 N3 O | C 1 2/c 1 | 31.204; 14.246; 7.0912 90; 90.053; 90 | 3152.3 | Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems. The journal of physical chemistry letters, 2021, 7357-7364 |
| 8000523 | CIF | C17 H19 N3 O | P 1 21/c 1 | 6.0201; 22.9725; 11.0281 90; 94.499; 90 | 1520.45 | Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems. The journal of physical chemistry letters, 2021, 7357-7364 |
| 8000524 | CIF | C12 H9 N O | P n a 21 | 20.556; 7.6031; 6.1035 90; 90; 90 | 953.9 | Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems. The journal of physical chemistry letters, 2021, 7357-7364 |
| 8000525 | CIF | C19 H23 N3 O | P 1 21/c 1 | 7.2755; 13.7706; 17.4597 90; 100.778; 90 | 1718.4 | Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems. The journal of physical chemistry letters, 2021, 7357-7364 |
| 8000526 | CIF | C12 H9 N O | P 21 21 21 | 8.055; 10.096; 11.687 90; 90; 90 | 950.4 | Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems. The journal of physical chemistry letters, 2021, 7357-7364 |
| 8000527 | CIF | C11 H8 N2 O | P 1 21/n 1 | 9.3063; 10.2363; 9.865 90; 96.832; 90 | 933.1 | Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems. The journal of physical chemistry letters, 2021, 7357-7364 |
| 8000528 | CIF | C44 H38 Br4 Mn P2 | P b c n | 11.90232; 18.92658; 18.74628 90; 90; 90 | 4222.98 | Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices The Journal of Physical Chemistry Letters, 2021, 7394-7399 |
| 8000529 | CIF | C40 H38 Br4 Mn P2 | P 1 21/c 1 | 20.6048; 12.3995; 16.0468 90; 105.924; 90 | 3942.46 | Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices The Journal of Physical Chemistry Letters, 2021, 7394-7399 |
| 8000530 | CIF | C44 H38 Br4 Mn P2 | P -1 | 10.1305; 12.7616; 17.9057 75.345; 86.03; 67.855 | 2073.47 | Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices The Journal of Physical Chemistry Letters, 2021, 7394-7399 |
| 8000531 | CIF | C48 H38 Br4 Mn P2 | P 1 21/n 1 | 9.7649; 28.6587; 16.2036 90; 104.154; 90 | 4396.91 | Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices The Journal of Physical Chemistry Letters, 2021, 7394-7399 |
| 8000532 | CIF | Cl6 In Rb3 | C 1 2/c 1 | 25.2717; 7.7302; 12.4159 90; 99.618; 90 | 2391.4 | Zhang, Chao; Feng, Xuezhen; Song, Qilin; Zhou, Chaocheng; Peng, Lin; Chen, Jing; Liu, Xiaolin; Chen, Hong; Lin, Jia; Chen, Xianfeng Blue-Violet Emission with Near-Unity Photoluminescence Quantum Yield from Cu(I)-Doped Rb<sub>3</sub>InCl<sub>6</sub> Single Crystals. The journal of physical chemistry letters, 2021, 12, 7928-7934 |
| 8000533 | CIF | C6 H15 N3 O6 | P c a 21 | 21.5256; 9.7968; 4.7685 90; 90; 90 | 1005.59 | Guo, Mingxia; Rosbottom, Ian; Zhou, Lina; Yong, Chin W.; Zhou, Ling; Yin, Qiuxiang; Todorov, Ilian T.; Errington, Ethan; Heng, Jerry Y. Y. Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization. The journal of physical chemistry letters, 2021, 12, 8416-8422 |
| 8000534 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.2354; 13.1008; 15.8109 91.429; 101.553; 103.772 | 2011.56 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000535 | CIF | C8 H6 Cu I N3 O0.5 | C 1 2/c 1 | 30.414; 4.196; 14.4536 90; 95.248; 90 | 1836.8 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000536 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.3279; 13.1429; 15.9454 91.932; 101.499; 103.064 | 2059.02 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000537 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.253; 13.107; 15.8382 91.541; 101.537; 103.642 | 2020.46 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000538 | CIF | C8 H6 Cu I N3 O0.5 | C 1 2/c 1 | 30.414; 4.196; 14.4536 90; 95.248; 90 | 1836.8 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000539 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.337; 13.1443; 15.9625 91.989; 101.507; 102.945 | 2064.09 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000540 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.2702; 13.1195; 15.8628 91.637; 101.545; 103.513 | 2029.76 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000541 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.3022; 13.1267; 15.9106 91.787; 101.542; 103.293 | 2044.93 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000542 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.2909; 13.1301; 15.8935 91.716; 101.577; 103.369 | 2040.26 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000543 | CIF | C36 H28 Cu4 I4 N8 O2 | P -1 | 10.3155; 13.136; 15.932 91.851; 101.507; 103.186 | 2052.83 | Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks. The journal of physical chemistry letters, 2021, 12, 8237-8245 |
| 8000544 | CIF | F4 H2 K2 O12 S3 Zn3 | C m c 21 | 17.7247; 7.665; 9.7505 90; 90; 90 | 1324.7 | Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>. The journal of physical chemistry letters, 2021, 12, 8280-8284 |
| 8000545 | CIF | C42 H76 Br4 Mn N2 | P -1 | 9.555; 15.6096; 32.3131 99.959; 91.493; 92.824 | 4738.17 | Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids. The journal of physical chemistry letters, 2021, 12, 8692-8698 |
| 8000546 | CIF | C40 H78 Br4 Mn N4 | P -1 | 9.2521; 17.3068; 30.8717 78.402; 88.41; 76.36 | 4704.8 | Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids. The journal of physical chemistry letters, 2021, 12, 8692-8698 |
| 8000547 | CIF | C20 H10 F3 I3 N | P 1 21/c 1 | 8.9169; 13.042; 17.248 90; 94.284; 90 | 2000.2 | Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs. The journal of physical chemistry letters, 2021, 12, 9233-9238 |
| 8000548 | CIF | C20 H10 F3 I3 N | P 1 21/n 1 | 5.0705; 37.539; 10.7938 90; 92.192; 90 | 2053 | Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs. The journal of physical chemistry letters, 2021, 12, 9233-9238 |
| 8000549 | CIF | C35 H25 N2 O2 | P 1 21 1 | 10.7291; 12.2843; 19.3087 90; 93.931; 90 | 2538.89 | Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties. The journal of physical chemistry letters, 2021, 12, 9283-9292 |
| 8000550 | CIF | C35 H26 N2 O2 | P -1 | 8.6191; 11.0586; 12.8995 96.722; 92.205; 90.967 | 1219.88 | Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties. The journal of physical chemistry letters, 2021, 12, 9283-9292 |
| 8000551 | CIF | C92 H64 Ag6 N28 O31 Yb2 | P 21 21 21 | 13.117; 24.758; 37.628 90; 90; 90 | 12220 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000552 | CIF | C50 H38 Au3 N16 O8 S6 Yb | C 1 2/c 1 | 22.961; 14.1072; 18.6968 90; 103.936; 90 | 5877.9 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000553 | CIF | C139.67 H96 Cd5.33 N43.67 O34 Yb3 | C 1 2/c 1 | 53.198; 12.3749; 24.9475 90; 90.362; 90 | 16423 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000554 | CIF | C46 H44 Co N14 O14 Yb | F d d d :2 | 13.8229; 25.6413; 28.239 90; 90; 90 | 10008.9 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000555 | CIF | C46 H44 Ir N14 O14 Yb | F d d d :2 | 13.8789; 25.716; 28.221 90; 90; 90 | 10072.4 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000556 | CIF | C46 H44 Fe N14 O14 Yb | F d d d :2 | 13.826; 25.726; 28.263 90; 90; 90 | 10052.8 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000557 | CIF | C46 H32 Cr N14 O14 Yb | F d d d :2 | 13.9366; 25.744; 28.199 90; 90; 90 | 10117.3 | Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals. The journal of physical chemistry letters, 2021, 10558-10566 |
| 8000558 | CIF | Br Cs I2 Pb | P 1 21/m 1 | 5.8131; 15.6887; 5.2854 90; 92.282; 90 | 481.646 | Yue, Yaochang; Zhou, Jiyu; Cheng, Qian; Zhang, Xuning; Wang, Boxin; Li, Yanxun; Li, Shilin; Cao, Ruiqi; Wang, Kaiyuan; Wang, Hui; Zhou, Huiqiong; Zhang, Yuan Peculiar Steric Hindrance Assists Monoclinic Phase Formation toward High-Quality All-Inorganic Perovskites. The journal of physical chemistry letters, 2021, 12, 11228-11237 |
| 8000559 | CIF | C4 H10 I3 N O2 Pb | I m m a | 23.605; 9.002; 21.707 90; 90; 90 | 4613 | Xie, Guanying; Wang, Lei; Ju, Dianxing; Yao, Changlin; Wang, Xinyuan; Song, Shuhong; Qu, Yaqian; Li, Huimin; Tao, Xutang Thermochromism Perovskite (COOH(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>PbI<sub>4</sub> Crystals: Single-Crystal to Single-Crystal Phase Transition and Excitation-Wavelength-Dependent Emission. The journal of physical chemistry letters, 2021, 214-221 |
| 8000560 | CIF | C21 H26 Br6 In N9 O | P 1 21/n 1 | 15.3534; 11.9467; 17.3788 90; 103.369; 90 | 3101.3 | Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping. The journal of physical chemistry letters, 2021, 198-207 |
| 8000561 | CIF | C14 H16 Br5 N6 Sb | P 1 21/n 1 | 10.3309; 15.6212; 14.2713 90; 108.667; 90 | 2182 | Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping. The journal of physical chemistry letters, 2021, 198-207 |
| 8000562 | CIF | C21 H26 Cl6 In N9 O | P 1 21/n 1 | 14.9918; 11.8909; 17.0091 90; 105.138; 90 | 2926.93 | Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping. The journal of physical chemistry letters, 2021, 198-207 |
| 8000563 | CIF | C14 H8 N2 O2 | P 1 21/n 1 | 6.6191; 3.797; 19.903 90; 94.592; 90 | 498.61 | Wang, Long; Cai, Wanlin; Sun, Jing; Wu, Yuling; Zhang, Bin; Tian, Xiangbin; Guo, Shaoting; Liang, WanZhen; Fu, Hongbing; Yao, Jiannian H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate State. The journal of physical chemistry letters, 2021, 12, 12276-12282 |
| 8000564 | CIF | C4 H14 Br7 Cs N2 Pb2 | P 1 21/m 1 | 8.0489; 31.099; 8.3796 90; 90.441; 90 | 2097.5 | Xiao, Bao; Sun, Qihao; Wang, Shiyao; Ji, Leilei; Li, Yingrui; Xi, Shouzhi; Zhang, Bin-Bin; Wang, Junjie; Jie, Wanqi; Xu, Yadong Two-Dimensional Dion-Jacobson Perovskite (NH<sub>3</sub>C<sub>4</sub>H<sub>8</sub>NH<sub>3</sub>)CsPb<sub>2</sub>Br<sub>7</sub> with High X-ray Sensitivity and Peak Discrimination of α-Particles. The journal of physical chemistry letters, 2022, 1187-1193 |
| 8000565 | CIF | C24 H35 N O | P 1 21 1 | 6.6196; 12.2116; 12.732 90; 90.157; 90 | 1029.2 | Hu, Shuhe; Yao, Zhen; Ma, Xuan; Yue, Lei; Chen, Luyao; Liu, Ran; Wang, Peng; Li, Haiyan; Zhang, Shi-Tong; Yao, Dong; Cui, Tian; Zou, Bo; Zou, Guangtian Pressure-Induced Local Excitation Promotion: New Route toward High-Efficiency Aggregate Emission Based on Multimer Excited State Modulation. The journal of physical chemistry letters, 2022, 1290-1299 |
| 8000566 | CIF | C6 H5 N O2 | P 1 21/c 1 | 7.176; 11.6702; 7.2267 90; 113.519; 90 | 554.93 | Chen, Yi; Xie, Yujun; Li, Zhen Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array. The journal of physical chemistry letters, 2022, 13, 1652-1659 |
| 8000567 | CIF | C6 H5 N O2 | P -1 | 6.3923; 7.2424; 7.4683 103.707; 114.869; 106.137 | 275.38 | Chen, Yi; Xie, Yujun; Li, Zhen Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array. The journal of physical chemistry letters, 2022, 13, 1652-1659 |
| 8100000 | CIF | C10 H15 N3 O | P -1 | 7.4748; 9.1706; 15.536 80.88; 89.91; 81.24 | 1039 | Li, Hui; Jin, Qiong-Hua; Yu, Shu-Yan; Ma, Hong-Wei; Li, Yan Crystal structure of 4-(4-pyridil)-3,5-dimethylpyrozole hydrate, (C~5~H~4~N)CH~3~(C~3~N~2~H)CH~3~ · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 13-14 |
| 8100001 | CIF | C26.25 H20.5 Cl0.5 N6 Ni O4 | C 1 2/c 1 | 25.707; 14.768; 18.312 90; 132.3; 90 | 5142 | Dieng, Moussa; Gaye, Mohamed; Sall, Abdou S.; Welter, Richard Crystal structure of bis(1-benzoyl-2-picoloyl-hydrazinato)nickel(II) ‒ methylene chloride solvate (1:0.25), Ni[OC(C~6~H~5~)NHN(C~5~H~4~N) CO)]~2~ · 0.25 CH~2~Cl~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 15-16 |
| 8100002 | CIF | C30 H18 Cu N2 O12 | C 1 2/c 1 | 9.9829; 15.6045; 16.9665 90; 97.154; 90 | 2622.4 | Hu, Mao-Lin; Shi, Qian; Xiao, Hong-Ping; Chen, Fan Crystal structure of 1,10-phenanthrolinecopper(II) bis(dihydrogen- 1,3,5-benzenetricarboxylate), Cu(C~12~H~8~N~2~)(C~9~H~5~O~6~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 17-18 |
| 8100003 | CIF | C24 H19 N O4 S2 | P -1 | 10.319; 10.275; 11.314 103.01; 96.4; 64.37 | 1053.7 | Khediri, Lamia; Rzaigui, Mohamed; Heynderickx, Arnault; Corval, Anne; Casalegno, Roger Crystal structure of 2-(2',4'-diphenylsulfonylbenzyl)pyridine, C~24~H~19~NO~4~S~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 21-22 |
| 8100004 | CIF | C48 H41 Cl P2 Pt Se | P -1 | 10.1598; 13.866; 14.7308 79.595; 86.006; 87.997 | 2035.6 | Hannu-Kuure, Milja S.; Oilunkaniemi, Raija; Laitinen, Risto S.; Ahlgren, Markku Crystal structure of chlorido(phenylselenolato)bis(triphenylphosphine) platinum(II) ‒ benzene (1:1), Pt(C~6~H~5~Se)(C~18~H~15~P)~2~Cl · C~6~H~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 23-25 |
| 8100005 | CIF | C14 H14 N2 Ni O6 | P b c a | 11.3252; 7.9588; 16.664 90; 90; 90 | 1502 | Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel Crystal structure of diaqua-bis(pyridine)-μ~2~-squarato(1,3)- cobalt(II), Co(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 29-30 |
| 8100006 | CIF | C11 H14 Cu N4 O7 | P -1 | 7.5217; 9.754; 11.349 108.87; 96.53; 111.55 | 706.8 | Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel Crystal structure of (2-aminopyrimidine)-(pyridine-2,6-dicarboxylato)- copper(II) trihydrate, Cu(C~4~H~5~N~3~)(C~7~H~3~NO~4~) · 3 H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 35-36 |
| 8100007 | CIF | C42 H36 N2 | P 1 21/c 1 | 8.279; 16.998; 11.812 90; 93.599; 90 | 1659 | Yu, Ming-Xin Crystal structure of N,N,N',N'-tetra-m-tolyl-anthracene-9,10-diamine, C~42~H~36~N~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 61-62 |
| 8100008 | CIF | C6 H4 N3 Na O3 S | P 1 21/c 1 | 17.816; 8.3131; 5.9366 90; 93.061; 90 | 878 | Biesemeier, Frank; Harms, Klaus; Müller, Ulrich Crystal structure of sodium 4-azidobenzenesulfonate, Na[N~3~C~6~H~4~SO~3~] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 37-38 |
| 8100009 | CIF | C6 H14 N3 Na O8 S | P 1 21/c 1 | 7.018; 27.193; 7.089 90; 92.01; 90 | 1352 | Biesemeier, Frank; Harms, Klaus; Müller, Ulrich Crystal structure of bis(μ~2~-aqua)diaquasodium 4-azido-benzenesulfonate monohydrate, Na(H~2~O)~4~[N~3~C~6~H~4~SO~3~] · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 39-40 |
| 8100010 | CIF | C14 H14 N2 O6 Zn | P b c a | 7.9823; 12.0284; 15.721 90; 90; 90 | 1509.4 | Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel Crystal structure of diaqua-bis(pyridine)-μ~2~-squarato(1,3)- zinc(II), Zn(C~4~O~4~)(C~5~H~5~N)~2~(H~2~O)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 31-32 |
| 8100011 | CIF | C22 H14 N3 O9 Sm | P -1 | 10.4; 10.584; 11.093 81.437; 88.599; 67.888 | 1117.9 | Li, Xia; Zou, Ying-Quan; Song, Hai-Bin Crystal structure of di(1,10-phenanthroline-N,N')di[μ-(2-furancarboxylato- O,O')-μ-(2-furancarboxylato- O,O':O']di(nitrato)disamarium(III), Sm~2~(NO~3~)~2~(C~5~H~3~O~3~)~4~(C~12~H~8~N~2~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 26-28 |
| 8100012 | CIF | C19 H20 O3 | P 1 21/n 1 | 9.2143; 18.47; 10.194 90; 113.451; 90 | 1591.6 | Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of (2SR,1'RS)-3-(1-naphthyl)-2-(2-oxocyclopentyl)- propionic acid methyl ester, C~19~H~20~O~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 47-48 |
| 8100013 | CIF | C34 H40 O4 | P 1 21/n 1 | 6.6176; 27.538; 14.951 90; 98.768; 90 | 2692.7 | Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of (1a SR,5b RS,7a SR,10a RS,10b SR,10c RS)-1a,5b, 6,7,7a,8,9,10,10b,10c-decahydro-10a H-cyclopenta[1,2]- phenanthro [9,10-b]oxiren-10a-ol, C~17~H~20~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 49-50 |
| 8100014 | CIF | C18 H20 O2 | C 1 2/c 1 | 21.37; 5.6424; 23.686 90; 104.346; 90 | 2767 | Berndt, M.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of 1-isopropyl-15-oxatetracyclo-[11.2.1.02,11.05, 10]hexadeca-3,5(10),6,8-tetraen-14-one, C~18~H~20~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 51-52 |
| 8100015 | CIF | C15 H22 N O2 | P 1 21/c 1 | 9.6435; 8.75; 16.666 90; 103.733; 90 | 1366.1 | Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of (2RS,4SR,4aSR)-1-acetyl-2-(1-methylethyl)-4-hydroxy- 4-methyl-1,2,3,4,4a,7-hexahydroquinoline, C~15~H~22~NO~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 53-54 |
| 8100016 | CIF | C13 H19 N O2 | P 1 21/c 1 | 8.399; 17.386; 9.043 90; 113.872; 90 | 1207.6 | Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of (4SR,4aSR)-1-acetyl-4-hydroxy-4,8-dimethyl-1, 2,3,4,4a,7-hexahydroquinoline, C~13~H~19~NO~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 55-56 |
| 8100017 | CIF | C14 H21 N O2 | P 1 21/c 1 | 10.597; 12.684; 9.79 90; 104.466; 90 | 1274.3 | Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of (9aRS,10SR,10aRS)-8-methoxy-10-methyl-1,2,3,5, 7,9a,10,10a-octahydro pyrrolo-[1,2- b]isoquinoline-10-ol, C~14~H~21~NO~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 57-58 |
| 8100018 | CIF | C32 H42 Cl2 N2 O Ru | P 1 21/c 1 | 12.93; 18.094; 13.655 90; 114.004; 90 | 2918.3 | Arslan, Hakan; Vanderveer, Donald; Özdemir, Ismail; Cetinkaya, Bekir; Yasar, Sedat Crystal structure of dichlorido(N-(biphenyl-2-ylmethyl)-N-(2-ethoxyethyl)]- imidazolidin-2-ylidene(η^6^-hexa- methylbenzene)ruthenium, Ru(C~12~H~18~)(C~20~H~24~N~2~O)Cl~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 44-46 |
| 8100019 | CIF | C30 H34 Co2 N4 O16 | P 1 21/n 1 | 12.286; 7.5947; 17.9245 90; 100.007; 90 | 1647.1 | Hu, Mao-Lin; Xiao, Hong-Ping; Yuan, Ji-Xin; Li, Xin-Hua Crystal structure of bis[triaqua(2,2-bipyridine)cobalt(II)] 1,2,4, 5-benzenetetracarboxylate dihydrate, [Co~2~(C~10~H~8~N~2~)~2~(H~2~O) ~6~(C~10~H~2~O~8~)] · 2 H2O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 19-20 |
| 8100020 | CIF | C20 H20 Cu N2 O5 | P 1 21/c 1 | 8.965; 19.797; 10.44 90; 101.78; 90 | 1813.8 | Ma, Ai-Qing; Yu, Ming-Xin; Zhu, Long-Guan Crystal structure of (μ~2~-1,4-cyclohexanedicarboxylato)(1,10- phenanthroline)-copper(II) monohydrate, Cu(C~12~H~8~N~2~)(C~8~H~10~O~4~) · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 63-64 |
| 8100021 | CIF | C14 H26 Cu N2 O12 | C 1 2/c 1 | 16.631; 11.155; 13.096 90; 125.08; 90 | 1988.2 | Ying, Er-Bo; Zheng, Yue-Qing; Zhou, Qing-Qing Crystal structure of tetraaqua(4,4'-bipyridine-N,N')copper(II) fumarate tetrahydrate, Cu(H~2~O)~4~(C~10~H~8~N~2~)(C~4~H~2~O~4~) · 4 H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 65-66 |
| 8100022 | CIF | C8 H12 N2 O8 Zn | P 1 21/n 1 | 7.1883; 11.331; 7.2371 90; 91.38; 90 | 589.3 | Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel Crystal structure of tetraaqua-μ~2~-pyrazine-zinc(II) squarate, [Zn(H~2~O)~4~(C~4~H~4~N~2~)](C~4~O~4~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 33-34 |
| 8100023 | CIF | C30 H24 N3 O3 P S | P b c a | 15.9227; 16.6085; 39.822 90; 90; 90 | 10531.1 | Biesemeier, Frank; Harms, Klaus; Müller, Ulrich Crystal structure of tetraphenylphosphonium 4-azido-benzenesulfonate, P(C~6~H~5~)~4~[N~3~C~6~H~4~SO~3~] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 41-43 |
| 8100024 | CIF | C29 H19 N O | P 1 21/c 1 | 23.218; 14.748; 12.094 90; 90.986; 90 | 4140.5 | Yu, Ming-Xin Crystal structure of 3-diphenylamino-benzo[de]anthracen-7-one, C~29~H~19~NO Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 114-116 |
| 8100025 | CIF | C34 H30 N8 Ni O2 | P 1 21/n 1 | 14.048; 4.7256; 21.491 90; 99.1; 90 | 1409.8 | Haberroth, K.; Hanack, M.; Maichle-Mössmer, C. Crystal structure of [9,22-(bisbutyloxy)hemiporphyrazinato]nickel(II), C~34~H~30~N~8~O~2~Ni Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 127-128 |
| 8100026 | CIF | C18 H24 O | P 42/n :2 | 13.885; 13.885; 14.833 90; 90; 90 | 2859.8 | Hölemann, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U. Crystal structure of cis-(5 E)-phenylmethylidene-decahydro-4a H-benzo [a]-cyclohepten-4a-ol, C~18~H~24~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 59-60 |
| 8100027 | CIF | C13 H14 N2 | P 1 21/n 1 | 11.304; 7.775; 13.451 90; 113.98; 90 | 1080.2 | Polamo, Mika; Talja, Markku Crystal structure of 2-(2,3-dimethylphenylamino)pyridine, C~13~H~14~N~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 67-68 |
| 8100028 | CIF | C13 H14 N2 | P 1 21/c 1 | 11.892; 7.57; 13.309 90; 112.65; 90 | 1105.7 | Talja, Markku; Polamo, Mika Crystal structure of 2-[(2-ethyl)phenylamino]pyridine, C~13~H~14~N~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 69-70 |
| 8100029 | CIF | C23 H24 Au O P S2 | C 1 2/c 1 | 23.5809; 13.7153; 17.1823 90; 125.554; 90 | 4521.1 | Ho, S. Y.; Tiekink, E. R. T. Crystal structure of (O-ethyldithiocarbonato)(triphenylphosphine)gold (I), (C~6~H~5~)~3~PAu(S~2~COC~4~H~9~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 71-72 |
| 8100030 | CIF | C23 H23 Au N P S2 | P -1 | 8.5243; 9.8224; 13.8147 73.492; 86.641; 88.638 | 1107.1 | Ho, S. Y.; Tiekink, E. R. T. Crystal structure of (triphenylphosphine)(pyrrolinedithiocarbamato) gold(I), (C~6~H~5~)~3~PAu(S~2~CNC~4~H~8~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 73-74 |
| 8100031 | CIF | B4 Cs H12 Na O13 | P 1 21/c 1 | 8.24; 11.493; 12.9 90; 92.11; 90 | 1220.8 | Zhou, J.-G. Lanz; Zhao, F.-Y.; Xia, S.-P.; Yang, L.; Lu, Y.; Wang, J.-J.; Gao, S.-Y. Crystal structure of sodium caesium tetrahydrogen-tetraborate tetrahydrate, NaCs[B~4~O~5~(OH)~4~] · 4 H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 1-2 |
| 8100032 | CIF | Bi Zr | C m c m | 3.858; 10.77; 14.325 90; 90; 90 | 595.2 | Boström, Magnus; Prots, Yurii; Grin, Yuri Refinement of the crystal structure of zirconium monobismuthide, ZrBi Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 3-4 |
| 8100033 | CIF | Ca2 Fe1.66 O5 V0.34 | P n m a | 5.4171; 14.774; 5.584 90; 90; 90 | 446.9 | Harringer, N. A.; Presslinger, H.; Klepp, K. O. Crystal structure of a mixed dicalcium ferrite, Ca~2~Fe~1.66~V~0.34~O~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 5-6 |
| 8100034 | CIF | Br5 Pd Tl3 | P b c a | 7.8226; 16.812; 17.299 90; 90; 90 | 2275.1 | Heines, Peter; Duchâteau, Manfred; Keller, Hans-Lothar Crystal structure of trithallium-pentabromopalladate(II), Tl~3~PdBr~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 7-8 |
| 8100035 | CIF | C8 H24 Cl4 N2 Pd | P 42/m n m | 8.8287; 8.8287; 11.4264 90; 90; 90 | 890.64 | Heines, Peter; Keller, Hans-Lothar Crystal structure of di(tetramethylammonium)tetrachloropalladate(II), [N(CH~3~)~4~]~2~[PdCl~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 9-10 |
| 8100036 | CIF | C12 B9 La10 | P 41 21 2 | 8.6447; 8.6447; 25.787 90; 90; 90 | 1927.1 | Babizhetskyy, Volodymyr; Mattausch, Hansjürgen; Simon, Arndt Crystal structure of lanthanum borocarbide, La~10~B~9~C~12~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 11-12 |
| 8100037 | CIF | C9 H18 O3 S6 | P b c a | 17.4185; 10.6391; 17.4453 90; 90; 90 | 3232.9 | Sun, Yan-Qiu; Zahn, Gernot; Guo, Yue-Wei Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane-4,9,14- triol, C~9~H~18~O~3~S~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 121-123 |
| 8100038 | CIF | C20 H28 O3 | P 1 21 1 | 10.0279; 11.1076; 17.0856 90; 105.522; 90 | 1833.68 | Chaichantipyuth, C.; Muangsin, N.; Chaichit, N.; Roengsumran, S.; Petsom, A.; Watanabe, T.; Ishikawa, T. Crystal structure of (–)-hardwickiic acid, C~19~H~27~OCOOH Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 111-113 |
| 8100040 | CIF | C10 H12 N4 Ni O6 | P b c a | 11.89; 7.9087; 14.664 90; 90; 90 | 1378.9 | Kirchmaier, Ralph; Altin, Ergün; Lentz, Axel Crystal structure of diaqua-bis(pyrazole)-μ~2~-squarato(1,3) nickel(II), Ni(C~4~O~4~)(C~3~H~4~N)~2~(H~2~O)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 135-136 |
| 8100042 | CIF | C12 H32 Er2 O22 | P -1 | 6.517; 9.774; 10.466 80.19; 89.84; 71.37 | 621.53 | Sun, Jie; Zheng, Yue-Qing; Lin, Jian-Li Crystal structure of tetraaquatrisuccinatodierbium hexahydrate, Er~2~ (H~2~O)~4~(C~4~H~4~O~4~)~3~ · 6H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 99-100 |
| 8100043 | CIF | C62 H50 Cu2 N14 O9 | P 1 2/n 1 | 15.7454; 7.9119; 22.3267 90; 96.15; 90 | 2765.36 | Ye, Ming-De; Cheng, Ya-Qian; Li, Xin-Hua; Hu, Mao-Lin Crystal structure of bis[di(1,10-phenanthroline)azidocopper(II)] biphenyl-4,4'- dicarboxylate pentahydrate, [Cu(C~12~H~8~N~2~)~2~N~3~]~2~(C~14~H~8~O~4~) · 5H~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 165-167 |
| 8100044 | CIF | C15 H15 N6 O P | P 1 21/n 1 | 10.5575; 13.448; 21.814 90; 92.314; 90 | 3094.7 | Gholivand, Khodayar; Alavi, Maryam Daneshvar; Pourayoubi, Mehrdad Crystal structure of N,N',N''-tris(2-pyridinyl)phosphoric triamide, (NC~5~H~4~NH)~3~PO Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 124-126 |
| 8100045 | CIF | C12 H12 N2 O2 | P 1 21/c 1 | 7.033; 14.768; 10.377 90; 96.026; 90 | 1071.8 | Chen, Sheng-Hui; Li, Sheng-Fang; Zou, Ying; Yang, Li; Chen, Bo; Zhu, Hai-Liang Crystal structure of 1,3-di[2-(4,5-dihydrooxazole)]benzene, C~12~H~12~N~2~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 153-154 |
| 8100046 | CIF | C16 H20 Ag As F6 N12 | P -1 | 7.004; 8.696; 11.006 68.95; 76.49; 81.9 | 607.1 | Yang, Hai-Lang; Yang, Song; Qiu, Xiao-Yang; Shao, Si-Chang; Ma, Ji-Long; Sun, Lin; Zhu, Hai-Liang Crystal structure of bis(2-aminopyrimidine)silver(I) hexafluoroarsenate bis(2-aminopyrimidine) solvate, [Ag(C~4~H~5~N~3~)~2~]AsF~6~ · 2C~4~H~5~N~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 157-158 |
| 8100047 | CIF | C42 H66 Fe N4 O6 | P 21 21 21 | 10.7723; 11.7128; 33.392 90; 90; 90 | 4213.2 | Nöth, Heinrich; Beck, Wolfgang; Dialer, H.; Habereder, T. Crystal structure of (2R,2'R,5R,5'R)-1,1'-bis[1-(2-tert-butyl-1-carboxy- tert-butyl-3-methyl-4-oxo-imidazolidine-5-yl)-1-methyl]ferrocene, Fe(C~21~H~33~N~2~O~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 132-134 |
| 8100048 | CIF | C22 H20 Cu2 N6 O8 | P 1 21/n 1 | 5.8076; 15.541; 11.962 90; 92.79; 90 | 1078.3 | Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel Crystal structure of diaqua-bis(pyridine-2,6-dicarboxylato-O,N,O')- (μ~2~-pyrazino)dicopper(II) dihydrate, [Cu~2~(C~4~H~4~N~2~) (C~7~H~3~NO~4~)~2~(H~2~O)~2~] · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 137-138 |
| 8100049 | CIF | C20 H24 N11 O15 Pr | P 1 21/c 1 | 18.956; 8.161; 22.151 90; 114.53; 90 | 3117.5 | Haba, Pepe Marcel; Gaye, Mohamed; Sall, Abdou S.; Barry, Aliou H.; Jouini, Tahar Crystal structure of aquabis(4-methyl-5-formyl-imidazolfuranoylhydrazone)- (trinitrato)praseodymium(III) monohydrate, Pr(H~2~O)(C~9~H~10~O~2~N~4~) ~2~(NO~3~)~3~ · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 106-108 |
| 8100050 | CIF | C25 H18 Cu N5 O4 | P -1 | 7.3; 11.985; 13.19 88.15; 78.68; 78.62 | 1109.3 | Kaizer, József; Pap, József; Speier, Gábor; Párkányi, László Crystal structure of aqua[1,3-bis(2-pyridylimino)isoindolinato](salicylato) copper(II), Cu(C~7~O~3~H~4~)(C~18~H~12~N~5~)(H~2~O) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 141-142 |
| 8100051 | CIF | C9 H18 S6 | P -1 | 5.637; 14.748; 17.913 86.663; 82.988; 83.742 | 1467.7 | Sun, Yan-Qiu; Sun, Jie; Guo, Yue-Wei Crystal structure of 1,2,6,7,11,12-hexathia-cyclopentadecane, C~9~H~18~S~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 119-120 |
| 8100052 | CIF | C24 H24 Ag2 N6 O10 | P -1 | 3.807; 11.551; 16.207 74.172; 84.746; 89.885 | 682.6 | Ma, Ji-Long; Zou, Ying; Meng, Fan-Jin; Lin, Yong-Shan; Wang, Zao-Gui; Zhu, Hai-Liang Crystal structure of bis(4-aminopyridine)silver(I) bis(3-nitrobenzoato) silver(I) dihydrate, Ag(C~5~H~6~N~2~)~2~[Ag(C~7~H~4~NO~4~)~2~] · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 159-160 |
| 8100053 | CIF | C22 H34 Cd N4 O6 | P 1 21/n 1 | 9.236; 21.102; 12.987 90; 97.638; 90 | 2508.8 | Yang, Song; Liu, Qiong-Xin; Zeng, Wei-Jie; Zou, Ying; Wang, Zao-Gui; Zhu, Hai-Liang Crystal structure of bis[N-(2-(2-hydroxyethylamino)ethyl)salicylidene- imine]cadmium(II) dihydrate, Cd(C~11~H~17~N~2~O~2~)~2~ · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 155-156 |
| 8100054 | CIF | C22 H30 N4 O8 S Zn2 | P 1 21/c 1 | 8.2666; 23.2294; 13.7531 90; 102.329; 90 | 2580.1 | Qiu, Xiao-Yang; Liu, Qiong-Xin; Wang, Zao-Gui; Lin, Yong-Shan; Zeng, Wei-Jie; Fun, Hoong-Kun; Zhu, Hai-Liang Crystal structure of sulfatobis{2-[N-(2-hydroxyethylaminoethyl)iminomethyl] phenolatozinc(II)}, [(ZnC~11~H~15~N~2~O~2~)~2~SO~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 150-152 |
| 8100055 | CIF | C40 H30 N4 S4 | P -1 | 6.5126; 10.4988; 12.635 87.818; 79.141; 86.737 | 846.74 | Belizzi, Mary; Foss, Paul C. D.; Pelto, Ryan; Crundwell, Guy; Brückner, Christian; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D. Crystal structure of 5,10,15,20-tetrakis(5'-methylthien-2'-yl)porphyrin, C~40~H~30~N~4~S~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 129-131 |
| 8100056 | CIF | C46 H37 Ag Cl2 F4 N4 O4 | P c c n | 27.927; 7.208; 21.083 90; 90; 90 | 4244 | Ma, Ji-Long; Yang, Li; Chen, Bo; Zou, Ying; Meng, Fan-Jin; Zhu, Hai-Liang Crystal structure of bis[N,N'-bis(2-fluorobenzylidene)ethylenediamine] silver(I) 4-chlorobenzoate 4-chlorobenzoic acid, Ag(C~16~H~14~N~2~F~2~) ~2~(C~14~H~9~O~2~Cl~2~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 161-162 |
| 8100057 | CIF | C18 H17 N3 O3 S | P 1 21/c 1 | 15.705; 12.083; 9.3684 90; 102.404; 90 | 1736.3 | Ramazani, Ali; Marandi, Farzin; Souldozi, Ali; Jalilian, Amir Reza Crystal structure of {1-benzyl-2-[(4-nitrobenzyl)sulfanyl]-1H-imidazol-5-yl}-methanol, C~18~H~17~N~3~O~3~S Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 173-174 |
| 8100058 | CIF | C15 H15 N O5 | P -1 | 7.3662; 8.8837; 11.242 68.64; 81.328; 85.05 | 676.9 | Ramazani, Ali; Dolatyari, Leila; Kazemizadeh, Ali Reza; Souldozi, Ali Crystal structure of dimethyl 1-acetyl-1,2-dihydro-2,3-quinolinedicarboxylate, C~15~H~15~NO~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 175-176 |
| 8100059 | CIF | C20 H25 Cu F6 N3 O8 S2 | P -1 | 8.0561; 11.766; 14.859 75.539; 84.98; 82.435 | 1349.7 | Selmeczi, Katalin; Speier, Gábor; Réglier, Marius; Giorgi, Michel Crystal structure of [N,N-bis(2-[2-pyridyl]ethyl)-2-(2-aminoethoxy) ethanol]copper(II) bis(trifluoromethanesulfonate), (CuC~18~H~25~N~3~O~2~) (F~3~CSO~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 143-144 |
| 8100060 | CIF | C18 H20 Cu N2 O5 | P 1 21/c 1 | 9.1432; 17.8251; 10.1994 90; 99.226; 90 | 1640.78 | Ma, Ai-Qing; Yu, Ming-Xin; Zhu, Long-Guan Crystal structure of (1,4-cyclohexanedicarboxylato)(2,2'-bipyridine) copper(II) monohydrate, Cu(C~8~H~10~O~4~)(C~10~H~8~N~2~) · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 117-118 |
| 8100061 | CIF | C14 H10 N2 S8 | P -1 | 7.7531; 11.403; 12.371 64.101; 84.62; 77.335 | 960 | Xue, Gang; Yu, Wen-Tao; Fang, Qi Crystal structure of 2,3-bis(2-cyanoethylthio)-6,7- vinylenedithiotetrathiafulvalene, C~14~H~10~N~2~S~8~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 171-172 |
| 8100062 | CIF | C20 H18 O8 | F d d 2 | 19.06; 35.937; 10.5708 90; 90; 90 | 7241 | Ramazani, Ali Crystal structure of dimethyl 1,1-diacetyl-8a-hydroxy-8-oxo-1,2,8, 8a-tetrahydrocyclopenta[a]indene-2,3-dicarboxylate, C~20~H~18~O~8~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 177-178 |
| 8100063 | CIF | C11 H11 N O4 | P n a 21 | 18.37; 4.8704; 24.616 90; 90; 90 | 2202.4 | Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Lopes, Susana H.; Cabral, Ana M. T. D. P. V.; Rocha Gonsalves, A. M. d'A.; Sobral, Abilio J. F. N. Crystal structure of 2-hydroxyimino-3-oxo-3-phenyl-propionic acid ethyl ester, C~11~H~11~NO~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 145-146 |
| 8100064 | CIF | C14 H11 N O6 | P 1 21/n 1 | 8.0682; 9.6792; 16.961 90; 101.69; 90 | 1297.1 | Ramazani, Ali; Marandi, Farzin; Ahmadi, Ebrahim; Morsali, Ali Crystal structure of dimethyl (Z)-2(1,3-dioxo-1,3-di-hydro-2H-isoindol- 2-yl)-2-butenedioate, C~14~H~11~NO~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 179-180 |
| 8100065 | CIF | C28 H16 Ag4 N8 O26 | P 1 21/c 1 | 5.667; 16.915; 19.694 90; 90.38; 90 | 1887.8 | Xia, Jun; Wang, Zao-Gui; Yang, Li; Tang, Lu-Lu; Zhu, Hai-Liang Crystal structure of diaquatetra(3,5-dinitrobenzoato)tetrasilver(I), Ag~4~(C~7~H~3~N~2~O~6~)~4~(H~2~O)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 163-164 |
| 8100066 | CIF | C36 H26 Co2 N4 O9 | P 1 21/c 1 | 13.8648; 17.1789; 14.1938 90; 104.525; 90 | 3272.7 | Hu, Mao-Lin; Yuan, Ji-Xin; Ye, Ming-De; Xiao, Hong-Ping Crystal structure of catena-bis-μ-terephthalato[2,2'-bipyridinecobalt (II)][aqua-2,2'-bipyridinecobalt(II)], Co~2~(C~8~H~4~O~4~)~2~(C~10~H~8~N~2~) ~2~(H~2~O) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 168-170 |
| 8100067 | CIF | C41 H37 O6 P | P -1 | 11.128; 12.548; 13.42 87.523; 84.819; 64.188 | 1680 | Ramazani, Ali; Dolatyari, Leila; Kazemizadeh, Ali Reza; Ahmadi, Ebrahim; Torabi, Ali Asgar; Welter, Richard Crystal structure of diethyl 2-(dibenzoylmethyl)-3-(triphenylphosphoranylidene) succinate, C~41~H~37~O~6~P Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 181-183 |
| 8100068 | CIF | C15 H13 N O | P 1 21/c 1 | 15.986; 6.7598; 11.415 90; 104.63; 90 | 1193.5 | Alagille, D.; Baldwin, R. M.; Incarvito, C. D.; Tamagnan, G. Crystal structure of 2-(3-methoxyphenylethynyl)-6-methyl-pyridine, C~15~H~13~NO, M-MPEP - a mGluR5 antagonist Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 187-188 |
| 8100069 | CIF | C7 H12 N O4 P | P b c a | 7.79; 24.645; 9.867 90; 90; 90 | 1894 | Smirani, Wajda; Ben Slimane, Amel; Rzaigui, Mohamed Crystal structure of 4-methylanilinium dihydrogenphosphate, (p-CH~3~C~6~H~4~NH~3~)(H~2~PO~4~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 189-190 |
| 8100070 | CIF | C21 H21 Cl N4 O5 | P -1 | 9.6247; 9.929; 11.86 108.117; 73.237; 87.38 | 1019.9 | Dupont, Léon; Liégeois, Jean-François Crystal structure of bis(8-chloro-5-(4-methylpiperazinium-1-yl)pyrido- [2,3-b][1,5]benzoxazepine) fumarate - fumaric acid solvate (1:1), (C~17~H~18~ClN~4~O)~2~(C~4~H~2~O~4~) · C~4~H~4~O~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 147-149 |
| 8100071 | CIF | C42 H67 Na O11 | P 21 21 21 | 10.5617; 19.158; 21.5366 90; 90; 90 | 4357.7 | Paulus, E. F.; Vértesy, L. Crystal structure of 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro- pyran-2-yl)-15-oxo-2,10,12-trimethyl-1,6,8-trioxa-dispiro[4.1.5.3] pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl-5-methyl- tetrahydro-pyran-2-yl)-butyrate sodium, Na(C~42~H~67~O~11~), SY-9 – antibiotic 20-oxo-salinomycin Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 184-186 |
| 8100072 | CIF | C7 H10 O4 Sn | C 1 2/c 1 | 12.459; 9.676; 16.237 90; 99.55; 90 | 1930.3 | Reuter, Hans Crystal structure of tin(II) acetate acetylacetonate, Sn(C~5~H~7~O~2~) (C~2~H~3~O~2~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 109-110 |
| 8100073 | CIF | C17 H25 N O4 | P 1 21 1 | 8.547; 9.1757; 11.166 90; 102.241; 90 | 855.8 | Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker Crystal structure of (3R,1S',2S')-3-[1-benzyloxy-2,3-isopropylidenedioxy- propyl]-2-methyltetrahydro-1,2-oxazole, C~17~H~25~NO~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 191-192 |
| 8100074 | CIF | C12 H22 Cl N O4 | P 1 21 1 | 6.2327; 7.936; 14.1536 90; 99.709; 90 | 690.05 | Frey, Wolfgang; Henneböhle, Marco; Jäger, Volker Crystal structure of (3S,4S)-4,5-O-cyclohexylidene-4,5-dihydroxy-3- methylamino-pentanoic acid hydrochloride, (C~12~H~22~NO~4~)Cl Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 193-194 |
| 8100075 | CIF | C4 H12 Cl N S Sn | P b c a | 11.422; 11.475; 13.582 90; 90; 90 | 1780.2 | Couce, Maria D.; Faraglia, Giuseppina; Russo, Umberto; Graziani, Rodolfo; Valle, Giovanni Crystal structure of chlorodimethyl(2-aminoethanethiolato)tin(IV), (NH~2~CH~2~CH~2~S)SnCl(CH~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 195-196 |
| 8100076 | CIF | C29 H44 B F4 O4 P2 Rh | P 1 21 1 | 10.119; 14.125; 11.542 90; 106.87; 90 | 1578.7 | Holz, Jens; Börner, Armin; Spannenberg, Anke; Pribbenow, Cornelia; Heller, Detlef; Drexler, Hans-Joachim Crystal structure of (η^4^-norborna-2,5-dien)-(1,2-bis((R,R)- 2,5-bis(methoxymethyl)phospholanyl)benzene)rhodium(I) tetrafluoroborate, [Rh(C~22~H~36~O~4~P~2~)(C~7~H~8~)](BF~4~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 199-200 |
| 8100077 | CIF | C18 H18 N4 Ni2 O12 | P 1 21/c 1 | 7.5584; 20.004; 7.1346 90; 92.02; 90 | 1078.1 | Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel Crystal structure of tetraaqua-bis(pyridine-2,6-dicarboxylato-O,N, O')-(μ~2~-pyrazino)dinickel(II), [Ni~2~(C~4~H~4~N~2~)(C~7~H~3~NO~4~) ~2~(H~2~O)~4~] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 139-140 |
| 8100078 | CIF | C22 H20 Br N O3 | P 1 21/c 1 | 17.643; 5.935; 18.782 90; 90.13; 90 | 1966.7 | Malpezzi, Luciana Crystal structure of methyl-2-hydroxy-2-phenyl-3-(4-bromophenyl)-3- phenylamino-propanoate, C~22~H~20~BrNO~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 197-198 |
| 8100079 | CIF | C18 H36 B F4 P2 Rh | P 1 21/n 1 | 15.522; 9.173; 15.862 90; 103.91; 90 | 2192.3 | Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Drexler, Hans-Joachim Crystal structure of (η^4^-cycloocta-1,5-dien)(1,2-bis(diethylphosphino) ethane)rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~10~H~24~P~2~)] (BF~4~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 201-202 |
| 8100080 | CIF | Br14 Mo6 Tl2 | P n -3 :2 | 13.8128; 13.8128; 13.8128 90; 90; 90 | 2635.4 | Xu, Wei; Zheng, Yue-Qing; Wang, Ping Crystal structure of dithallium(I) octa-μ~3~-bromohexabromo- octahedro-hexamolybdate, Tl~2~[(Mo~6~Br~8~)Br~6~] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 97-98 |
| 8100081 | CIF | C56 H52 Cl4 N4 O P2 V | P 1 21/c 1 | 9.473; 19.832; 14.461 90; 99; 90 | 2683.3 | Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 101-105 |
| 8100082 | CIF | C56 H52 Cl6 N4 P2 Sn | P 1 21/c 1 | 9.606; 19.842; 15.129 90; 98.91; 90 | 2849 | Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 101-105 |
| 8100083 | CIF | C56 H52 Cl6 Mo N4 P2 | P 1 21/c 1 | 9.505; 19.624; 14.759 90; 98.72; 90 | 2721.1 | Rabe, Susanne; Bubenheim, Winfried; Müller, Ulrich Crystal structures of acetonitrile solvates of bis(tetraphenylphosphonium) tetrachlorooxovanadate(IV), hexachlorostannate(IV) and -molybdate (IV), [P(C~6~H~5~)~4~]~2~[VOCl~4~] · 4CH~3~CN, [P(C~6~H~5~)~4~]~2~ [MCl~6~] · 4CH~3~CN (M = Sn, Mo) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 101-105 |
| 8100084 | CIF | Cl5 Cr H2 O Rb2 | P n m a | 13.8123; 9.7705; 7.1522 90; 90; 90 | 965.21 | Mi, Jin-Xiao; Zhou, Xi; Zhang, Hui; Mao, Shao-Yu; Zhao, Jing-Tai Crystal structure of dirubidium aquapentachlorochromate(III), Rb~2~ [CrCl~5~(H~2~O)] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 93-94 |
| 8100085 | CIF | Cl10 Cr2 Cs4 H4 O2 | C m c m | 7.4297; 17.2341; 8.0121 90; 90; 90 | 1025.9 | Mi, Jin-Xiao; Zhou, Xi; Zhang, Hui; Mao, Shao-Yu; Zhao, Jing-Tai Crystal structure of dicesium aquapentachlorochromate(III), Cs~2~ [CrCl~5~(H~2~O)] Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 95-96 |
| 8100086 | CIF | Eu2 Ge3 Li | P n n m | 10.9677; 11.687; 4.5482 90; 90; 90 | 582.99 | Xie, Qin-Xing; Nesper, Reinhard Crystal structure of dieuropium lithium trigermanide, Eu~2~LiGe~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 79-80 |
| 8100087 | CIF | Ge2 Li Yb | P n m a | 7.939; 3.8824; 10.524 90; 90; 90 | 324.39 | Xie, Qin-Xing; Nesper, Reinhard Crystal structure of ytterbium lithium digermanide, YbLiGe~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 81-82 |
| 8100088 | CIF | Eu2 Ge3 Li1.16 Mg0.84 | C m c m | 4.5767; 19.534; 7.2229 90; 90; 90 | 645.7 | Xie, Qin-Xing; Nesper, Reinhard Crystal structure of dieuropium and distrontium di(lithium, magnesium) trigermanide, M~2~Li~x~Mg~2‒x~Ge~3~ (M = Eu, x = 1.16; M = Sr, x = 0.94) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 83-84 |
| 8100089 | CIF | Ge3 Li0.94 Mg1.06 Sr2 | C m c m | 4.6357; 19.7034; 7.3239 90; 90; 90 | 668.96 | Xie, Qin-Xing; Nesper, Reinhard Crystal structure of dieuropium and distrontium di(lithium, magnesium) trigermanide, M~2~Li~x~Mg~2‒x~Ge~3~ (M = Eu, x = 1.16; M = Sr, x = 0.94) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 83-84 |
| 8100090 | CIF | Ca Si1.2 Zn0.8 | P 6/m m m | 4.1423; 4.1423; 4.3176 90; 90; 120 | 64.159 | Xie, Qin-Xing; Nesper, Reinhard Crystal structure of calcium zinc silicide, CaZn~x~Si~2‒x~ (x = 0.80), and strontium germanium silicide, SrGe~x~Si~2‒x~ (x = 1.20) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 85-86 |
| 8100091 | CIF | Ge1.2 Si0.8 Sr | P 6/m m m | 4.36; 4.36; 4.5367 90; 90; 120 | 74.69 | Xie, Qin-Xing; Nesper, Reinhard Crystal structure of calcium zinc silicide, CaZn~x~Si~2‒x~ (x = 0.80), and strontium germanium silicide, SrGe~x~Si~2‒x~ (x = 1.20) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 85-86 |
| 8100092 | CIF | H Nb4 O22.5 S4 | R -3 :H | 10.3783; 10.3783; 26.54 90; 90; 120 | 2475.6 | Ewald, Bastian; Prots, Yurii; Boström, Magnus Refinement of the crystal structure of diniobium trisoxydisulfate hydrate, Nb~2~O~3~(SO~4~)~2~ ̇0.25H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 89-90 |
| 8100093 | CIF | Al4 Ni Sm | C m c m | 4.0948; 15.582; 6.61 90; 90; 90 | 421.8 | Fornasini, Maria L.; Raggio, Riccardo; Borzone, Gabriella Crystal structure of samarium nickel tetraaluminide, SmNiAl~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 75-76 |
| 8100094 | CIF | Al23 Ni6 Sm4 | C 1 2/m 1 | 15.939; 4.0967; 18.32 90; 113.09; 90 | 1100.4 | Fornasini, Maria L.; Raggio, Riccardo; Borzone, Gabriella Crystal structure of samarium nickel aluminide, Sm~4~Ni~6~Al~23~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 77-78 |
| 8100095 | CIF | I La5 Pb3 | P 63/m c m | 9.736; 9.736; 6.947 90; 90; 120 | 570.28 | Mattausch, Hj.; Simon, A.; Zheng, C. Crystal structure of pentalanthanum trilead monoiodide, La~5~Pb~3~I Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 87-88 |
| 8100096 | CIF | Bi5 N O10 | P 1 21/c 1 | 8.5846; 23.3846; 5.5422 90; 108.103; 90 | 1057.51 | Ziegler, Peter; Ströbele, Markus; Meyer, H.-Jürgen Crystal structure of pentabismuth heptaoxide nitrate, Bi~5~O~7~NO~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 91-92 |
| 8100097 | CIF | C4 H10 O8 Zn | P 1 21/c 1 | 7.517; 14.378; 7.704 90; 99.74; 90 | 820.6 | Xu, Wei; Zheng, Yue-Qing Refinement of the crystal structure of catena-tetraaquafumarato-O, O'-zinc(II), Zn(H~2~O)~4~(C~4~H~2~O~4~) Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 235-236 |
| 8100098 | CIF | C18 H18.5 Ag F N4 O7.25 | C 1 2/c 1 | 23.654; 5.524; 31.131 90; 98.564; 90 | 4023 | Zou, Ying; Chen, Bo; Song, Hua-Li; Tang, Lu-Lu; Xiong, Zhong-Duo; Zhu, Hai-Liang Crystal structure of {N-[2-(2-hydroxyethylamino)ethyl]-2-fluorobenzaldimine}- (3,5-dinitrobenzoato)silver(I) - water (1:0.25), Ag(C~7~H~3~N~2~O~6~) (C~11~H~15~FN~2~O) · 0.25H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 261-262 |
| 8100099 | CIF | C20 H17 N O5 | P -1 | 6.633; 8.694; 16.758 76.169; 83.423; 68.016 | 869.8 | Ramazani, Ali; Ahmadi, Ebrahim; Torabi, Ali Asgar; Welter, Richard; Dolatyari, Leila; Kazemizadeh, Ali Reza; Souldozi, Ali Crystal structure of dimethyl 1-benzoyl-1,2-dihydro-2,3-quinolinedicarboxylate, C~20~H~17~NO~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 243-244 |
| 8100100 | CIF | C20 H17 N5 | P -1 | 10.006; 10.318; 10.371 82.63; 62.925; 63.291 | 847.7 | Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang Crystal structure of 4-(3,4-dimethylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~20~H~17~N~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 257-258 |
| 8100101 | CIF | C22 H21 N5 | P 1 21/n 1 | 15.348; 5.98; 20.909 90; 102.488; 90 | 1873.7 | Shao, Si-Chang; Yang, Song; Zhang, Shu-Ping; Wang, Da-Qi; Zhu, Hai-Liang Crystal structure of 4-(4-tert-butylphenyl)-3,5-bis(2-pyridyl)-1,2, 4-triazole, C~22~H~21~N~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 259-260 |
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