Crystallography Open Database
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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 26
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7248306 | CIF | C12 H16 O2 | C 1 2 1 | 19.7972; 5.6454; 19.9238 90; 116.7; 90 | 1989.31 | Dupont, Jennifer; Hartwig, Beppo; Le Barbu-Debus, Katia; Lepere, Valeria; Guillot, Regis; Suhm, Martin A.; Zehnacker, Anne Homochiral <i>vs.</i> heterochiral preference in chiral self-recognition of cyclic diols. Physical chemistry chemical physics : PCCP, 2024, 26, 10610-10621 |
7248313 | CIF | C48 H96 O16 S4 | C 1 c 1 | 22.8417; 5.94667; 10.39189 90; 96.6449; 90 | 1402.07 | Soto-Suárez, Fátima M; Rojo-Portillo, Tania; Huerta, Eduardo H.; Aguilera-Cruz, Alejandro; Tapia-Bárcenas, Alberto; Contreras-Cruz, David Atahualpa; Toscano, Rubén A; Quiróz-García, Beatriz; Rojas-Aguilar, Aaron; Cortés-Guzmán, Fernando; Bacsa, John; Ramírez-Gualito, Karla; Barquera-Lozada, José Enrique; Cuevas, Gabriel Stereoelectronic interactions are too weak to explain the molecular conformation in solid state of <i>cis</i>-2-<i>tert</i>-butyl-5-(<i>tert</i>-butylsulfonyl)-1,3-dioxane. Physical chemistry chemical physics : PCCP, 2024, 26, 10021-10028 |
7248361 | CIF | C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 | P 21 21 21 | 8.8226; 11.5942; 25.3522 90; 90; 90 | 2593.3 | Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP, 2024, 26, 11611-11617 |
7248362 | CIF | C16 H14 B F2 N3 O S | P -1 | 7.9897; 11.3528; 34.408 90; 89.989; 90 | 3121 | Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP, 2024, 26, 11611-11617 |
7248363 | CIF | C15 H11 B F2 N2 O2 S | P 1 21/n 1 | 7.157; 15.248; 13.6954 90; 105.109; 90 | 1442.9 | Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles. Physical chemistry chemical physics : PCCP, 2024, 26, 11611-11617 |
7248379 | CIF | Br7 Cs Nb3 S | P 1 21/c 1 | 9.8515; 18.7974; 7.0544 90; 98.203; 90 | 1292.99 | Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP, 2024, 26, 11789-11797 |
7248380 | CIF | Br7 Nb3 Rb S | P m c 21 | 7.0218; 9.8353; 18.445 90; 90; 90 | 1273.8 | Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S. Physical chemistry chemical physics : PCCP, 2024, 26, 11789-11797 |
7248383 | CIF | C33 H15 N9 O3 | R -3 :H | 23.8757; 23.8757; 17.6972 90; 90; 120 | 8736.7 | Kumar, Krishan; Karmakar, Anirban; Thakur, Diksha; Sharma, Dipanshu; Chen, Feng-Rong; Verma, Varsha; Nagar, Mangey Ram; Jou, Jwo-Huei; Banik, Subrata; Ghosh, Subrata Self-assembled molecular network with waterwheel-like architecture: experimental and theoretical evaluation toward electron transport capabilities for optoelectronic devices. Physical chemistry chemical physics : PCCP, 2024, 26, 11922-11932 |
7248421 | CIF | C12 H8 O4 | P b c a | 10.9104; 11.1907; 15.6859 90; 90; 90 | 1915.17 | Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP, 2024, 26, 13489-13496 |
7248422 | CIF | C20 H12 O4 | P 1 21/c 1 | 8.1365; 20.6845; 8.5612 90; 97.619; 90 | 1428.12 | Blasco-Brusola, Alejandro; Tamarit, Lorena; Navarrete-Miguel, Miriam; Roca-Sanjuán, Daniel; Miranda, Miguel A.; Vayá, Ignacio Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry. Physical chemistry chemical physics : PCCP, 2024, 26, 13489-13496 |
7248549 | CIF | C23 H22 I P | P 1 21/c 1 | 10.606; 18.313; 10.75 90; 106.717; 90 | 2000 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach. Physical chemistry chemical physics : PCCP, 2024, 26, 14448-14455 |
7248550 | CIF | C23 H22 F6 P2 | P 1 21/c 1 | 11.1886; 17.4838; 11.8098 90; 107.462; 90 | 2203.8 | Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach. Physical chemistry chemical physics : PCCP, 2024, 26, 14448-14455 |
7248575 | CIF | C18 H16 Br N O2 | P 1 21/c 1 | 17.6763; 11.7042; 7.5524 90; 94.84; 90 | 1556.92 | Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP, 2024, 26, 14228-14243 |
7248576 | CIF | C19 H17 Br N2 O4 | P 1 21/c 1 | 12.445; 12.529; 11.461 90; 93.804; 90 | 1783.1 | Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP, 2024, 26, 14228-14243 |
7248577 | CIF | C27 H29 Br N2 O4 | P 1 21/c 1 | 14.7636; 11.7049; 15.5223 90; 113.075; 90 | 2467.75 | Siwawannapong, Kittipan; Diers, James R.; Magdaong, Nikki Cecil M.; Nalaoh, Phattananawee; Kirmaier, Christine; Lindsey, Jonathan S.; Holten, Dewey; Bocian, David F. Extension of nature's NIR-I chromophore into the NIR-II region. Physical chemistry chemical physics : PCCP, 2024, 26, 14228-14243 |
7248595 | CIF | Cl5 K2 N O Ru | P n m a | 13.126; 10.3284; 6.8375 90; 90; 90 | 926.96 | Mikhailov, Artem A.; Gansmüller, Axel; Konieczny, Krzysztof A.; Pillet, Sébastien; Kostin, Gennadiy; Klüfers, Peter; Woike, Theo; Schaniel, Dominik Local force constants and charges of the nitrosyl ligand in photoinduced NO linkage isomers in a prototypical ruthenium nitrosyl complex. Physical chemistry chemical physics : PCCP, 2024, 26, 15255-15267 |
7248667 | CIF | C156 H168 F9 N12 O15 S3 Yb | P 21 21 21 | 22.181; 26.777; 31.548 90; 90; 90 | 18738 | Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes. Physical chemistry chemical physics : PCCP, 2024, 26, 15776-15783 |
7248668 | CIF | C156 H168 F9 N12 O15 S3 Yb | P 21 21 21 | 22.207; 26.8; 31.519 90; 90; 90 | 18758 | Sickinger, Annika; Grasser, Maxime; Baguenard, Bruno; Bensalah-Ledoux, Amina; Guy, Laure; Bui, Anh Thy; Guyot, Yannick; Dorcet, Vincent; Pointillart, Fabrice; Cador, Olivier; Guy, Stéphan; Maury, Olivier; Le Guennic, Boris; Riobé, François Temperature-dependent NIR-CPL spectra of chiral Yb(III) complexes. Physical chemistry chemical physics : PCCP, 2024, 26, 15776-15783 |
7248733 | CIF | C37 H45 N6 O8.5 S3 | P 1 | 11.5061; 13.0272; 14.0938 72.4941; 84.3059; 81.3692 | 1988.62 | Oka, Yoshimi; Inoue, Katsuya Time-resolved EPR observation of blue-light-induced radical ion pairs in a flavin-Trp dyad. Physical chemistry chemical physics : PCCP, 2024, 26, 16444-16448 |
7248734 | CIF | C12 H10 N6 O3 | P 1 21/n 1 | 7.6908; 5.7271; 27.006 90; 90.719; 90 | 1189.4 | Christopher, Imogen L.; Liu, Xiaojiao; Lloyd, Hayleigh J.; Bull, Craig L.; Funnell, Nicholas P.; Portius, Peter; Michalchuk, Adam A. L.; Kennedy, Stuart R.; Pulham, Colin R.; Morrison, Carole A. Tuning energetic properties through co-crystallisation - a high-pressure experimental and computational study of nitrotriazolone: 4,4'-bipyridine. Physical chemistry chemical physics : PCCP, 2024, 26, 16859-16870 |
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