Crystallography Open Database
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Searching journal of publication like 'Physical chemistry chemical physics : PCCP'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7219029 | CIF | C13 H24 K N O6 S | P 1 21/c 1 | 8.182; 14.222; 7.709 90; 98.717; 90 | 886.7 | Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties. Physical chemistry chemical physics : PCCP, 2015, 17, 2838-2849 |
| 7219056 | CIF | C48 H48 N6 | P 1 21/n 1 | 9.85327; 11.5888; 34.7326 90; 95.691; 90 | 3946.48 | Abate, Antonio; Planells, Miquel; Hollman, Derek J.; Barthi, Vishal; Chand, Suresh; Snaith, Henry J.; Robertson, Neil Hole-transport materials with greatly-differing redox potentials give efficient TiO2-[CH3NH3][PbX3] perovskite solar cells. Physical chemistry chemical physics : PCCP, 2015, 17, 2335-2338 |
| 7219096 | CIF | C3 H7 N O2 | P 21 21 21 | 6.8141; 7.9189; 8.5887 90; 90; 90 | 463.45 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219097 | CIF | C3 H7 N O2 | P 21 21 21 | 6.797; 7.9162; 8.5951 90; 90; 90 | 462.47 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219098 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7737; 7.917; 8.5989 90; 90; 90 | 461.14 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219099 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7518; 7.9135; 8.6022 90; 90; 90 | 459.62 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219100 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7285; 7.9107; 8.6056 90; 90; 90 | 458.05 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219101 | CIF | C3 H7 N O2 | P 21 21 21 | 6.7099; 7.909; 8.6098 90; 90; 90 | 456.91 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219102 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6925; 7.9071; 8.6136 90; 90; 90 | 455.82 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219103 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6768; 7.9039; 8.6154 90; 90; 90 | 454.66 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219104 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6605; 7.9; 8.617 90; 90; 90 | 453.41 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219105 | CIF | C5 H11 N O2 | P n m a | 14.5652; 6.8755; 6.1405 90; 90; 90 | 614.93 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219106 | CIF | C5 H11 N O2 | P n m a | 14.5609; 6.8598; 6.129 90; 90; 90 | 612.19 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219107 | CIF | C5 H11 N O2 | P n m a | 14.5561; 6.8446; 6.1179 90; 90; 90 | 609.53 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219108 | CIF | C5 H11 N O2 | P n m a | 14.5514; 6.8288; 6.1066 90; 90; 90 | 606.8 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219109 | CIF | C5 H11 N O2 | P n m a | 14.5449; 6.8144; 6.0963 90; 90; 90 | 604.23 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219110 | CIF | C5 H11 N O2 | P n m a | 14.5416; 6.8003; 6.0871 90; 90; 90 | 601.94 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219111 | CIF | C5 H11 N O2 | P n m a | 14.5379; 6.7879; 6.0772 90; 90; 90 | 599.71 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219112 | CIF | C5 H11 N O2 | P n m a | 14.534; 6.777; 6.0668 90; 90; 90 | 597.56 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219113 | CIF | C5 H11 N O2 | P n m a | 14.5314; 6.7663; 6.0577 90; 90; 90 | 595.62 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures. Physical chemistry chemical physics : PCCP, 2015, 17, 3534-3543 |
| 7219138 | CIF | Ag Er0.02 Li Mo4 O16 Yb1.98 | I -4 | 5.151716; 5.151716; 11.26442 90; 90; 90 | 298.96 | Cheng, Fangrui; Xia, Zhiguo; Jing, Xiping; Wang, Ziyuan Li/Ag ratio dependent structure and upconversion photoluminescence of LixAg1-xYb0.99(MoO4)2:0.01Er(3+) phosphors. Physical chemistry chemical physics : PCCP, 2015, 17, 3689-3696 |
| 7219160 | CIF | C32 H18 F4 N4 O4 | P -1 | 6.8078; 10.6592; 10.84 61.373; 71.958; 84.063 | 655.6 | Rudloff, Milan; Ackermann, Kai; Huth, Michael; Jeschke, Harald O.; Tomic, Milan; Valentí, Roser; Wolfram, Benedikt; Bröring, Martin; Bolte, Michael; Chercka, Dennis; Baumgarten, Martin; Müllen, Klaus Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene-tetracyanoquinodimethane. Physical chemistry chemical physics : PCCP, 2015, 17, 4118-4126 |
| 7219187 | CIF | C29 H48 Br N5 O3 | P -1 | 8.0979; 10.1206; 20.3102 78.159; 88.1; 69.662 | 1526.23 | Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts. Physical chemistry chemical physics : PCCP, 2015, 17, 8382-8392 |
| 7219188 | CIF | C31 H48 Cl7 N5 O2 | P 1 21/c 1 | 9.7566; 9.1438; 42.575 90; 91.25; 90 | 3797.3 | Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts. Physical chemistry chemical physics : PCCP, 2015, 17, 8382-8392 |
| 7219328 | CIF | C13 H28 Br3 Cl N2 O2 | P 1 21/n 1 | 16.0589; 13.638; 18.3496 90; 95.258; 90 | 4001.9 | Rosokha, Sergiy V.; Traversa, Alfredo From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions. Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999 |
| 7219329 | CIF | C13 H28 Br3 F I N | P n a 21 | 33.76; 8.427; 14.421 90; 90; 90 | 4103 | Rosokha, Sergiy V.; Traversa, Alfredo From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions. Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999 |
| 7219330 | CIF | C14 H28 Br3 I N2 | P 1 21/n 1 | 8.5118; 18.3083; 13.3813 90; 97.315; 90 | 2068.32 | Rosokha, Sergiy V.; Traversa, Alfredo From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anions. Physical chemistry chemical physics : PCCP, 2015, 17, 4989-4999 |
| 7219575 | CIF | C46 H64 O4 S2 | P 1 21/c 1 | 8.972; 17.266; 14.26 90; 94.66; 90 | 2201.7 | Colella, L.; Brambilla, L.; Nardone, V.; Parisini, E.; Castiglioni, C.; Bertarelli, C. Outside rules inside: the role of electron-active substituents in thiophene-based heterophenoquinones. Physical chemistry chemical physics : PCCP, 2015, 17, 10426-10437 |
| 7219632 | CIF | C53 H89 Cl3 N26 O24 | P 1 21 1 | 14.6268; 18.3253; 15.3798 90; 118.011; 90 | 3639.5 | Xiao, Xin; Gao, Zhong-Zheng; Shan, Cheng-Long; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Liu, Jing-Xin Encapsulation of haloalkane 1-(3-chlorophenyl)-4-(3-chloropropyl)-piperazinium in symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril. Physical chemistry chemical physics : PCCP, 2015, 17, 8618-8621 |
| 7219831 | CIF | C20 H19 B F2 N2 O2 | P -1 | 8.3643; 9.794; 11.596 79.79; 71.08; 87.2 | 884.4 | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729 |
| 7219832 | CIF | C20 H17 B F2 I2 N2 O2 | P -1 | 7.747; 10.414; 14.007 91.746; 105.965; 91.149 | 1085.5 | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729 |
| 7219833 | CIF | C21 H19 B F2 I2 N2 O2 | P -1 | 10.0744; 10.408; 11.805 69.844; 85.884; 68.191 | 1076.58 | Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs. Physical chemistry chemical physics : PCCP, 2015, 17, 9716-9729 |
| 7219903 | CIF | B5 H3 O11 Sr2 | C 1 2 1 | 10.2342; 8.024; 6.3898 90; 127.882; 90 | 414.15 | Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O. Physical chemistry chemical physics : PCCP, 2015, 17, 10489-10496 |
| 7219973 | CIF | C12 H10 O2.4 | P 1 21/n 1 | 15.074; 3.9014; 17.001 90; 110.532; 90 | 936.3 | Manolova, Y.; Kurteva, V.; Antonov, L.; Marciniak, H.; Lochbrunner, S.; Crochet, A.; Fromm, K. M.; Kamounah, F. S.; Hansen, P. E. 4-Hydroxy-1-naphthaldehydes: proton transfer or deprotonation. Physical chemistry chemical physics : PCCP, 2015, 17, 10238-10249 |
| 7220032 | CIF | C25 H22 N3 O S6 Yb | P 1 21/c 1 | 8.07021; 19.1975; 17.7338 90; 93.6245; 90 | 2741.96 | Ilichev, Vasily A.; Pushkarev, Anatoly P.; Rumyantcev, Roman V.; Yablonskiy, Artem N.; Balashova, Tatyana V.; Fukin, Georgy K.; Grishin, Dmitry F.; Andreev, Boris A.; Bochkarev, Mikhail N. Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides. Physical chemistry chemical physics : PCCP, 2015, 17, 11000-11005 |
| 7220415 | CIF | C4 H4 N8 | P 1 21/n 1 | 4.9579; 6.4613; 10.181 90; 92.28; 90 | 325.88 | Wu, L.-C.; Chung, W.-C.; Wang, C.-C.; Lee, G.-H.; Lu, S.-I.; Wang, Y. A charge density study of π-delocalization and intermolecular interactions. Physical chemistry chemical physics : PCCP, 2015, 17, 14177-14184 |
| 7220416 | CIF | C26 H18 O4 | P -1 | 3.8538; 10.179; 13 97.18; 96.03; 100.6 | 493 | Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups. Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688 |
| 7220417 | CIF | C24 H14 O4 | C 1 2/c 1 | 40.449; 3.8627; 11.605 90; 94.87; 90 | 1806.6 | Arendt, Agata; Kołkowski, Radosław; Samoc, Marek; Szafert, Sławomir Spectral dependence of nonlinear optical properties of symmetrical octatetraynes with p-substituted phenyl end-groups. Physical chemistry chemical physics : PCCP, 2015, 17, 13680-13688 |
| 7220418 | CIF | C11 H18 F6 N2 O5 S2 | P -1 | 14.282; 17.055; 17.128 60.5; 82.665; 89.096 | 3596.1 | Yao, Wenzhi; Kelley, Steven P.; Rogers, Robin D.; Vaid, Thomas P. Electrical conductivity in two mixed-valence liquids. Physical chemistry chemical physics : PCCP, 2015, 17, 14107-14114 |
| 7220453 | CIF | C77 H67 Cl2 N5 Zn | P 1 21/a 1 | 17.737; 18.295; 19.069 90; 92.168; 90 | 6183.4 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
| 7220454 | CIF | C71 H76 N4 O5 Zn | P 1 21/a 1 | 19.126; 17.2247; 19.215 90; 93.303; 90 | 6319.7 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
| 7220455 | CIF | C53 H21 F12 N5 Zn | P -1 | 16.724; 16.971; 20.045 107.054; 107.58; 105.011 | 4793 | Saegusa, Yuta; Ishizuka, Tomoya; Komamura, Keiyu; Shimizu, Soji; Kotani, Hiroaki; Kobayashi, Nagao; Kojima, Takahiko Ring-fused porphyrins: extension of π-conjugation significantly affects the aromaticity and optical properties of the porphyrin π-systems and the Lewis acidity of the central metal ions. Physical chemistry chemical physics : PCCP, 2015, 17, 15001-15011 |
| 7220526 | CIF | Cu2 Se4 Sn Zn | I -4 2 m | 5.69647; 5.69647; 11.3394 90; 90; 90 | 367.961 | Choubrac, Léo; Lafond, Alain; Paris, Michaël; Guillot-Deudon, Catherine; Jobic, Stéphane The stability domain of the selenide kesterite photovoltaic materials and NMR investigation of the Cu/Zn disorder in Cu2ZnSnSe4 (CZTSe). Physical chemistry chemical physics : PCCP, 2015, 17, 15088-15092 |
| 7220573 | CIF | C12 H13 N3 O7 | P 1 21/c 1 | 10.056; 15.875; 9.709 90; 115.617; 90 | 1398 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
| 7220574 | CIF | C13 H13 N3 O9 | P 21 21 21 | 4.895; 12.127; 27.29 90; 90; 90 | 1620 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
| 7220575 | CIF | C14 H15 N3 O9 | P 21 21 21 | 8.759; 12.834; 30.603 90; 90; 90 | 3440 | Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish Assembly, growth and nonlinear thermo-optical properties of nitropeptides. Physical chemistry chemical physics : PCCP, 2015, 17, 16983-16990 |
| 7220580 | CIF | C2 Cl2 F N S | P 21 21 21 | 5.9327; 8.3874; 11.5697 90; 90; 90 | 575.707 | Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases. Physical chemistry chemical physics : PCCP, 2015, 17, 15805-15812 |
| 7220643 | CIF | C35 H32 Eu F9 O11 S | P -1 | 11.1497; 13.5201; 14.2594 75.358; 74.28; 83.906 | 2000.3 | Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes. Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144 |
| 7220644 | CIF | C74 H66 Eu2 F18 O22 S4 | C 1 2/c 1 | 22.453; 23.9254; 19.4634 90; 122.737; 90 | 8794.9 | Zhu, Tianyu; Chen, Peng; Li, Hongfeng; Sun, Wenbin; Gao, Ting; Yan, Pengfei Structural effects on the photophysical properties of mono-β-diketonate and bis-β-diketonate Eu(III) complexes. Physical chemistry chemical physics : PCCP, 2015, 17, 16136-16144 |
| 7220700 | CIF | C11 H11 N5 O7 | P -1 | 7.3233; 9.6646; 10.3323 78.588; 80.835; 85.796 | 707.02 | Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding. Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177 |
| 7220701 | CIF | C13 H15 N5 O7 | P -1 | 6.6831; 10.6065; 11.8839 73.513; 87.771; 75.787 | 782.59 | Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A. K.; Saha, Abhijit; Sunkari, Sailaja S.; Saha, Satyen Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding. Physical chemistry chemical physics : PCCP, 2015, 17, 18167-18177 |
| 7220735 | CIF | C30 H24 N2 Ni2 O8 | P 1 | 6.9472; 8.1805; 12.1722 91.1412; 103.873; 104.55 | 647.678 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
| 7220736 | CIF | C54 H72 N2 Ni2 O8 | P 1 21/m 1 | 20.446; 16.4661; 9.3532 90; 94.0138; 90 | 3141.18 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
| 7220737 | CIF | C48 H78 N2 Ni2 O8 | P 1 | 9.4778; 11.0657; 12.6936 101.544; 92.0654; 100.59 | 1278.46 | Bon, Volodymyr; Klein, Nicole; Senkovska, Irena; Heerwig, Andreas; Getzschmann, Jürgen; Wallacher, Dirk; Zizak, Ivo; Brzhezinskaya, Maria; Mueller, Uwe; Kaskel, Stefan Exceptional adsorption-induced cluster and network deformation in the flexible metal-organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. Physical chemistry chemical physics : PCCP, 2015, 17, 17471-17479 |
| 7220849 | CIF | C22 H18 N2 | I 41/a :2 | 18.225; 18.225; 9.896 90; 90; 90 | 3287 | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473 |
| 7220850 | CIF | C22 H18 N2 | P -1 | 8.44; 9.676; 10.316 75.506; 87.977; 79.212 | 801.2 | Garg, K.; Ganapathi, E.; Rajakannu, P.; Ravikanth, M. Stereochemical modulation of emission behaviour in E/Z isomers of diphenyldipyrroethene from aggregation induced emission to crystallization induced emission. Physical chemistry chemical physics : PCCP, 2015, 17, 19465-19473 |
| 7220851 | CIF | Ca Ho0.05 La1.5 Mo4 O16 Yb0.45 | I 41/a :2 | 5.29961; 5.29961; 11.70466 90; 90; 90 | 328.736 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220852 | CIF | Ca Ho0.05 La1.55 Mo4 O16 Yb0.4 | I 41/a :2 | 5.30206; 5.30206; 11.71178 90; 90; 90 | 329.24 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220853 | CIF | Ca Ho0.05 La1.45 Mo4 O16 Yb0.5 | I 41/a :2 | 5.29843; 5.29843; 11.71297 90; 90; 90 | 328.822 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220854 | CIF | Ca La2 Mo4 O16 | I 41/a :2 | 5.33701; 5.33701; 11.82903 90; 90; 90 | 336.93 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220855 | CIF | Ca Ho0.05 La1.6 Mo4 O16 Yb0.35 | I 41/a :2 | 5.303003; 5.303003; 11.71619 90; 90; 90 | 329.481 | Lim, Chang Sung; Aleksandrovsky, Aleksandr; Molokeev, Maxim; Oreshonkov, Aleksandr; Atuchin, Victor The modulated structure and frequency upconversion properties of CaLa2(MoO4)4:Ho(3+)/Yb(3+) phosphors prepared by microwave synthesis. Physical chemistry chemical physics : PCCP, 2015, 17, 19278-19287 |
| 7220885 | CIF | C17 H23 N3 O2 | P 1 21/n 1 | 6.8038; 17.311; 13.4729 90; 99.299; 90 | 1565.99 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220886 | CIF | C17 H23 N3 O2 | P 1 21/n 1 | 10.896; 7.886; 19.222 90; 94.135; 90 | 1647.4 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220887 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 7.1834; 12.7135; 16.514 90; 97.201; 90 | 1496.26 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220888 | CIF | C16 H20 N2 O3 | P 1 21/n 1 | 13.818; 7.428; 15.482 90; 93.055; 90 | 1586.8 | Chatterjee, Tanmay; Mandal, Mrinal; Gude, Venkatesh; Bag, Partha Pratim; Mandal, Prasun K. Strong electron donation induced differential nonradiative decay pathways for para and meta GFP chromophore analogues. Physical chemistry chemical physics : PCCP, 2015, 17, 20515-20521 |
| 7220917 | CIF | C17 H13 N O2 | P 1 21/n 1 | 8.804; 7.685; 21.631 90; 100.287; 90 | 1440 | Karunakaran, Venugopal; Prabhu, Deepak D.; Das, Suresh; Varughese, Sunil Transformation of photophysical properties from solution to solid state in alkoxy-cyano-diphenylacetylene molecules. Physical chemistry chemical physics : PCCP, 2015, 17, 18768-18779 |
| 7220981 | CIF | C14 H10 Br N3 | P 1 21/c 1 | 7.7832; 9.8765; 16.564 90; 91.056; 90 | 1273.1 | Ghosh, Pritam; Roy, Biswajit Gopal; Jana, Saibal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata Colorimetric and fluorimetric response of Schiff base molecules towards fluoride anion, solution test kit fabrication, logical interpretations and DFT-D3 study. Physical chemistry chemical physics : PCCP, 2015, 17, 20288-20295 |
| 7221650 | CIF | Ag2 S | I m -3 m | 4.8741; 4.8741; 4.8741 90; 90; 90 | 115.793 | Sadovnikov, S. I.; Gusev, A. I.; Rempel, A. A. An in situ high-temperature scanning electron microscopy study of acanthite-argentite phase transformation in nanocrystalline silver sulfide powder. Physical chemistry chemical physics : PCCP, 2015, 17, 20495-20501 |
| 7221662 | CIF | C23 H29 N O | P 1 2/c 1 | 12.8075; 9.6355; 15.8732 90; 96.659; 90 | 1945.64 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
| 7221663 | CIF | C26 H29 N3 | P 1 21/a 1 | 13.2115; 9.4084; 18.0693 90; 107.007; 90 | 2147.78 | Thériault, K D; Radford, C.; Parvez, M.; Heyne, B.; Sutherland, T. C. Structure-property relationship of donor-acceptor acridones - an optical, electrochemical and computational study. Physical chemistry chemical physics : PCCP, 2015, 17, 20903-20911 |
| 7221877 | CIF | C4 H6 N4 O3 S2 | P -1 | 5.2819; 8.9293; 9.3525 104.658; 99.308; 99.803 | 410.69 | Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N. SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide. Physical chemistry chemical physics : PCCP, 2015, 17, 25411-25420 |
| 7222036 | CIF | C26 H23 Cl2 Co N6 O2 | P -1 | 8.924; 10.108; 14.354 91.53; 103.39; 100.48 | 1235.4 | Kamyabi, Mohammad Ali; Soleymani-Bonoti, Fatemeh; Bikas, Rahman; Hosseini-Monfared, Hassan; Arshadi, Nematollah; Siczek, Milosz; Lis, Tadeusz Molecular oxygen reduction catalyzed by a highly oxidative resistant complex of cobalt-hydrazone at the liquid/liquid interface. Physical chemistry chemical physics : PCCP, 2015, 17, 32161-32172 |
| 7222256 | CIF | C22 H22 N2 O8 | P 1 21/c 1 | 12.817; 7.3554; 11.1126 90; 98.49; 90 | 1036.15 | Silberstein, Katharine E.; Pastore, James P.; Zhou, Weidong; Potash, Rebecca A.; Hernández-Burgos, Kenneth; Lobkovsky, Emil B.; Abruña, Héctor D Electrochemical lithiation-induced polymorphism of anthraquinone derivatives observed by operando X-ray diffraction. Physical chemistry chemical physics : PCCP, 2015, 17, 27665-27671 |
| 7222399 | CIF | C19 H18 Ge | P 1 21/c 1 | 18.5689; 9.5521; 18.3723 90; 107.433; 90 | 3109.05 | Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids. Physical chemistry chemical physics : PCCP, 2015, 17, 28866-28878 |
| 7222453 | CIF | C40 H51 N5 O S | P -1 | 10.387; 10.78; 17.168 90.321; 95.987; 93.823 | 1907.4 | Xu, Huajun; Yang, Dan; Liu, Fenggang; Fu, Mingkai; Bo, Shuhui; Liu, Xinhou; Cao, Yuan Nonlinear optical chromophores based on Dewar's rules: enhancement of electro-optic activity by introducing heteroatoms into the donor or bridge. Physical chemistry chemical physics : PCCP, 2015, 17, 29679-29688 |
| 7223005 | CIF | C60 H54 F18 O18 S12 Yb2 | C 1 2/c 1 | 41.711; 11.8124; 16.553 90; 98.582; 90 | 8064.5 | Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates. Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517 |
| 7223006 | CIF | C26 H18 F9 O7 S4 Yb | P 21 21 21 | 10.914; 11.4933; 26.0098 90; 90; 90 | 3262.6 | Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates. Physical chemistry chemical physics : PCCP, 2015, 17, 30510-30517 |
| 7223024 | CIF | C14 H15 N O3 | C m c 21 | 6.6923; 7.5956; 22.7742 90; 90; 90 | 1157.66 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
| 7223025 | CIF | C14 H15 N O4 | P -1 | 5.0909; 5.2071; 23.0054 93.826; 94.857; 98.102 | 599.68 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
| 7223075 | CIF | C22 H18 B0.5 N2.5 | P b c n | 20.669; 13.906; 12.406 90; 90; 90 | 3565.8 | Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination. Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432 |
| 7223076 | CIF | C35 H34 B N3 | P -1 | 8.2822; 11.668; 16.026 97.984; 94.609; 101.2 | 1495.3 | Kumar, George Rajendra; Sarkar, Samir Kumar; Thilagar, Pakkirisamy Triarylborane conjugated dicyanovinyl chromophores: intriguing optical properties and colorimetric anion discrimination. Physical chemistry chemical physics : PCCP, 2015, 17, 30424-30432 |
| 7223106 | CIF | C24 H22 N O | C 1 2/c 1 | 17.6732; 7.1183; 29.6076 90; 100.828; 90 | 3658.4 | Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals. Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652 |
| 7223107 | CIF | C24 H22 N O | P 1 21/c 1 | 8.7919; 26.2294; 8.1257 90; 103.413; 90 | 1822.7 | Teki, Yoshio; Miyamoto, Sadaharu; Koide, Kentaro π-Topology and spin alignment in the photo-excited states of phenylanthracene-t-butylnitroxide radicals. Physical chemistry chemical physics : PCCP, 2015, 17, 31646-31652 |
| 7223319 | CIF | C46 H68 N2 S2 | P -1 | 5.5193; 8.7116; 23.1468 84.894; 88.701; 72.509 | 1057.26 | Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules. Physical chemistry chemical physics : PCCP, 2016, 18, 1507-1515 |
| 7223426 | CIF | C16 H21 Br O Si | P 1 21 1 | 7.0513; 7.6501; 15.5178 90; 101.367; 90 | 820.66 | Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L. Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction. Physical chemistry chemical physics : PCCP, 2016, 18, 1720-1726 |
| 7223530 | CIF | C47 H39 N | P n m a | 15.6323; 14.7468; 14.4198 90; 90; 90 | 3324.1 | Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration. Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737 |
| 7223531 | CIF | C42 H25 Cl3 | P -1 | 8.51239; 12.4653; 14.2625 91.3139; 93.6817; 101.235 | 1480.35 | Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration. Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737 |
| 7223532 | CIF | C45 H29 | P 1 21/c 1 | 8.42; 14.384; 24.107 90; 91.53; 90 | 2918.64 | Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration. Physical chemistry chemical physics : PCCP, 2016, 18, 11722-11737 |
| 7223553 | CIF | C84 H72 N8 O19 S24 | P 1 21/m 1 | 10.8302; 33.4895; 13.8319 90; 99.191; 90 | 4952.4 | Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation. Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948 |
| 7223554 | CIF | C64 H52 N8 O21 S8 | C 1 2/c 1 | 23.6681; 22.0587; 13.2272 90; 111.589; 90 | 6421.3 | Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation. Physical chemistry chemical physics : PCCP, 2016, 18, 2940-2948 |
| 7223851 | CIF | C30 H21 F6 Mn O6 | R -3 :H | 18.583; 18.583; 14.503 90; 90; 120 | 4337.3 | Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs. Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956 |
| 7223852 | CIF | C28 H40 Cl Mn N2 O8 | C 1 2/c 1 | 16.325; 17.663; 12.491 90; 115.434; 90 | 3252.7 | Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs. Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956 |
| 7223853 | CIF | C38 H40 F4 Mn N2 O4 | C 1 2/c 1 | 18.2229; 19.0407; 11.7031 90; 115.785; 90 | 3656.4 | Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs. Physical chemistry chemical physics : PCCP, 2016, 18, 5949-5956 |
| 7223984 | CIF | C60 H24 N8 O8 Zn3 | I 4/m m m | 16.679; 16.679; 17.674 90; 90; 90 | 4916.7 | Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination. Physical chemistry chemical physics : PCCP, 2016, 18, 5453-5463 |
| 7223985 | CIF | C10 F8 | P 1 21/c 1 | 13.3203; 4.8791; 19.8516 90; 100.245; 90 | 1269.61 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
| 7223986 | CIF | C10 Cl8 | P 1 21/n 1 | 9.7244; 7.1739; 18.2816 90; 98.317; 90 | 1261.9 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
| 7223987 | CIF | C10 Br8 | P b c n | 11.3832; 7.8114; 16.5506 90; 90; 90 | 1471.66 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
| 7223988 | CIF | C14 Cl10 | P -1 | 7.1558; 9.5084; 12.4684 75.854; 82.701; 87.954 | 815.95 | Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew Cyclic π-electron delocalization in non-planar linear acenes. Physical chemistry chemical physics : PCCP, 2016, 18, 11813-11820 |
| 7224087 | CIF | C8 H14 O12 Zn | P -1 | 5.1749; 7.2736; 9.1901 108.304; 105.213; 92.434 | 313.95 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
| 7224088 | CIF | C8 H14 Ni O12 | P -1 | 5.142; 7.2793; 9.1121 108.025; 105.191; 92.14 | 310.38 | Ruggiero, Michael T.; Korter, Timothy M. The crucial role of water in shaping low-barrier hydrogen bonds. Physical chemistry chemical physics : PCCP, 2016, 18, 5521-5528 |
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