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 |
|---|---|---|---|---|---|---|
| 7241704 | CIF | C12 H17 N O2 S | P 21 21 21 | 6.27149; 13.8374; 14.1502 90; 90; 90 | 1227.97 | Scholten, Kevin; Engelage, Elric; Merten, Christian Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions. Physical chemistry chemical physics : PCCP, 2020, 22, 27979-27986 |
| 7242120 | CIF | C23 H34 Br I2 N | P 1 21/m 1 | 7.8843; 14.5796; 11.56 90; 97.065; 90 | 1318.73 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7242121 | CIF | C26 H40 Br I2 N | P 1 2/c 1 | 17.9505; 8.6914; 18.8483 90; 90.616; 90 | 2940.4 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7242122 | CIF | C22 H32 Br I2 N | P 1 2/n 1 | 9.9332; 8.8016; 14.5701 90; 98.374; 90 | 1260.25 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7242123 | CIF | C10 H4 I2 | P 1 21/n 1 | 4.1533; 17.1541; 7.0511 90; 95.332; 90 | 500.19 | González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene. Physical chemistry chemical physics : PCCP, 2021, 23, 3531-3542 |
| 7243961 | CIF | C6 H3 Br N2 S | P -1 | 7.1075; 7.197; 7.635 68.754; 76.414; 69.876 | 339.06 | Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C. Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers. Physical chemistry chemical physics : PCCP, 2021 |
| 7243962 | CIF | C12 H8 N2 O2 S2 | P 1 21/c 1 | 3.8786; 21.357; 13.401 90; 96.283; 90 | 1103.4 | Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C. Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers. Physical chemistry chemical physics : PCCP, 2021 |
| 7244027 | CIF | C24 H48 B2 F8 Fe0.66 N24 Ru0.34 | R -3 :H | 10.8269; 10.8269; 32.0261 90; 90; 120 | 3251.2 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244028 | CIF | C24 H48 B2 F8 Fe0.66 N24 Ru0.34 | R -3 :H | 10.7344; 10.7344; 32.0067 90; 90; 120 | 3193.9 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244029 | CIF | C24 H48 B2 F8 N24 Ru | R -3 :H | 10.79309; 10.79309; 32.1264 90; 90; 120 | 3241.04 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244030 | CIF | C24 H48 B2 F8 N24 Ru | R -3 :H | 10.77425; 10.77425; 31.8415 90; 90; 120 | 3201.09 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244031 | CIF | C24 H48 B2 F8 N24 Ru | P -1 | 11.7827; 10.88012; 16.3802 90.9202; 99.0617; 89.4706 | 2073.37 | Chakraborty, Pradip; Sy, Mouhamadou; Fourati, Houcem; Delgado, Teresa; Dutta, Mousumi; Das, Chinmoy; Besnard, Céline; Hauser, Andreas; Enachescu, Cristian; Boukheddaden, Kamel Optical microscopy imaging of the thermally-induced spin transition and isothermal multi-stepped relaxation in a low-spin stabilized spin-crossover material. Physical chemistry chemical physics : PCCP, 2022, 24, 982-994 |
| 7244100 | CIF | C18 H16 F3 N3 O3 S3 | P -1 | 10.4325; 11.403; 18.4984 107.755; 96.663; 92.537 | 2074.24 | Dubey, Gurudutt; Mahawar, Nutan; Singh, Tejender; Saha, Nirjhar; Sahoo, Subash C.; Bharatam, Prasad V. Thiazetidin-2-ylidenes as four membered N-heterocyclic carbenes: theoretical studies and the generation of complexes with N<sup>+</sup> center. Physical chemistry chemical physics : PCCP, 2022, 24, 629-633 |
| 7244101 | CIF | C13 H14 N2 O2 S | P -1 | 7.6003; 9.7756; 9.7883 96.092; 103.963; 111.34 | 642.06 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244102 | CIF | C15 H15 N2 O2 S | P -1 | 9.1303; 9.5438; 18.2326 86.92; 78.265; 66.827 | 1429.43 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244103 | CIF | C27 H22 N4 O2 | P -1 | 9.1477; 10.3739; 25.486 89.281; 79.975; 67.01 | 2188.4 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244104 | CIF | C25 H20 N4 O5 | C 1 2/c 1 | 13.5492; 7.4023; 21.4841 90; 100.382; 90 | 2119.5 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244105 | CIF | C25 H18 N4 O2 | P 1 21/n 1 | 7.7678; 5.8296; 42.625 90; 91.468; 90 | 1929.56 | Delledonne, Andrea; Orlandini, Martina; Mazzeo, Paolo P.; Sissa, Cristina; Bacchi, Alessia; Terenziani, Francesca; Pelagatti, Paolo Bis-isonicotinoyl linkers containing polyaromatic scaffolds: synthesis, structure and spectroscopic properties. Physical chemistry chemical physics : PCCP, 2022, 24, 1191-1201 |
| 7244107 | CIF | C34 H24 B N S3 | P 1 | 10.1902; 10.2138; 28.5888 88.437; 86.185; 69.035 | 2772.38 | Wang, Rui; Song, Kai; Wei, Caiyun; Hong, Wenjing; Zang, Yaping; Qu, Dahui; Li, Hongxiang Substitution pattern controlled charge transport in BN-embedded aromatics-based single molecule junctions. Physical chemistry chemical physics : PCCP, 2022, 24, 2227-2233 |
| 7244163 | CIF | C9 H13 N O3 | P 1 21 1 | 13.0612; 5.4197; 13.8643 90; 102.611; 90 | 957.75 | Gong, Yaxiang; Wei, Yuanfeng; Gao, Yuan; Pang, Zunting; Zhang, Jianjun; Qian, Shuai The bending behavior of an L-phenylalanine monohydrate soft crystal <i>via</i> reversible hydrogen bond rupture and remodeling. Physical chemistry chemical physics : PCCP, 2022, 24, 3216-3221 |
| 7244164 | CIF | C26 H22 N2 | P -1 | 6.1471; 17.7972; 20.5612 76.086; 81.665; 86.606 | 2159.66 | Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964 |
| 7244165 | CIF | C26 H22 N2 O | P 43 21 2 | 10.1318; 10.1318; 39.042 90; 90; 90 | 4007.8 | Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964 |
| 7244166 | CIF | C26 H22 N2 | P -1 | 9.1427; 10.2655; 11.2401 76.016; 84.388; 76.867 | 995.87 | Li, Xin; Zhuang, Yongbing; Ran, Qichao; Liu, Xiangyang Oxidative evolution of <i>Z</i>/<i>E</i>-diaminotetraphenylethylene. Physical chemistry chemical physics : PCCP, 2022, 24, 1960-1964 |
| 7245739 | CIF | C3 H6 O | P 1 21/a 1 | 8.9833; 4.2238; 9.4734 90; 97.508; 90 | 356.37 | Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques. Physical chemistry chemical physics : PCCP, 2021, 24, 122-128 |
| 7245944 | CIF | C27 H24 F4 O2 | P 1 21/n 1 | 7.7001; 26.8744; 11.3043 90; 99.2084; 90 | 2309.12 | Rozwadowski, Tomasz; Noda, Hiroshi; Kolek, Łukasz; Ito, Mizuki; Yamamura, Yasuhisa; Saitoh, Hideki; Saito, Kazuya Molecular dynamics and kinetics of isothermal cold crystallization with tunable dimensionality in a molecular glass former, 5'-(2,3-difluorophenyl)-2'-ethoxy-4-pentyloxy-2,3-difluorotolane. Physical chemistry chemical physics : PCCP, 2022, 25, 724-735 |
| 7245983 | CIF | C33 H30 O3 | P 1 21/c 1 | 21.3546; 8.2429; 27.6061 90; 102.563; 90 | 4743 | Salla, Cristian A. M.; Farias, Giliandro; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Murat, Aydemir; de Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H. The effect of substituents and molecular aggregation on the room temperature phosphorescence of a twisted π-system. Physical chemistry chemical physics : PCCP, 2022, 25, 684-689 |
| 7246057 | CIF | C99 H102 Cu3 N7 O8 S7 | P -1 | 12.2143; 14.3299; 28.9827 94.412; 100.883; 110.808 | 4599.03 | Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars Light emission mechanism in dimers of carbene-metal-amide complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 3220-3231 |
| 7246058 | CIF | C121 H134 Cu4 N8 O8 S8 | P 1 21/c 1 | 13.1244; 35.681; 14.415 90; 116.81; 90 | 6024.8 | Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars Light emission mechanism in dimers of carbene-metal-amide complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 3220-3231 |
| 7246148 | CIF | C43 H27 N3 O6 | P 1 21/m 1 | 8.8004; 18.927; 11.5824 90; 105.01; 90 | 1863.4 | Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions. Physical chemistry chemical physics : PCCP, 2023, 25, 5459-5467 |
| 7246149 | CIF | C56 H57 Co N3 O6 | C 1 2/c 1 | 19.8607; 18.497; 12.9906 90; 102.711; 90 | 4655.3 | Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions. Physical chemistry chemical physics : PCCP, 2023, 25, 5459-5467 |
| 7246150 | CIF | C46 H27 Co N3 O6 | R -3 c :H | 13.8716; 13.8716; 33.7979 90; 90; 120 | 5632.14 | Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions. Physical chemistry chemical physics : PCCP, 2023, 25, 5459-5467 |
| 7246167 | CIF | C26 H22 B F3 N P | P -1 | 10.1902; 13.3195; 18.9127 70.363; 83.801; 69.417 | 2263.21 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246168 | CIF | C25 H22 B F4 P | P 1 21/c 1 | 9.4958; 21.5696; 11.1131 90; 107.745; 90 | 2167.9 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246169 | CIF | C27 H24 B N2 P | P 1 21/n 1 | 9.5349; 14.5833; 16.4465 90; 98.44; 90 | 2262.12 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246170 | CIF | C27 H22 B F2 N2 P | P 1 21/c 1 | 13.3421; 17.2505; 20.2011 90; 93.974; 90 | 4638.26 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246171 | CIF | C28 H23 B N3 P | P b c a | 13.4269; 17.485; 20.6372 90; 90; 90 | 4844.98 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246172 | CIF | C28 H22 B F N3 P | P b c a | 13.4477; 17.6586; 20.6374 90; 90; 90 | 4900.71 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246173 | CIF | C29 H22 B N4 P | P -1 | 8.9003; 11.636; 13.5576 111.524; 90.565; 100.936 | 1277.58 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246174 | CIF | C26 H25 B N P | P -1 | 9.9936; 13.0398; 18.8613 70.179; 83.275; 71.674 | 2194.86 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246175 | CIF | C27 H23 B F N2 P | P -1 | 9.8978; 21.7519; 21.8961 92.669; 90.076; 92.765 | 4703.52 | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. Physical chemistry chemical physics : PCCP, 2023, 25, 5037-5048 |
| 7246211 | CIF | C20 H16 N2 O7 | P 21 21 21 | 8.2281; 10.5056; 21.3512 90; 90; 90 | 1845.62 | Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing. Physical chemistry chemical physics : PCCP, 2023, 25, 5849-5856 |
| 7246212 | CIF | C14.25 H12.25 Cl0.75 N2 O7 | P 1 21 1 | 13.9471; 13.6917; 16.7692 90; 101.73; 90 | 3135.36 | Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing. Physical chemistry chemical physics : PCCP, 2023, 25, 5849-5856 |
| 7246213 | CIF | C17 H18 N2 O7 | C 1 2 1 | 58.307; 6.7934; 9.0204 90; 92.252; 90 | 3570.25 | Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing. Physical chemistry chemical physics : PCCP, 2023, 25, 5849-5856 |
| 7246355 | CIF | H6 La3 Na3 O27 S6 | P 31 | 7.0227; 7.0227; 12.945 90; 90; 120 | 552.89 | Azeroual, H.; Bantignies, J.-L.; Maurin, D.; Granier, D.; Haines, J.; Cambon, O.; Hermet, P. Highlights on the reversible nonpolar-to-polar <i>P</i>3<sub>1</sub>21-<i>P</i>3<sub>1</sub> phase transition at low temperature in NaLa(SO<sub>4</sub>)<sub>2</sub>·H<sub>2</sub>O: mechanism and piezoelectric properties. Physical chemistry chemical physics : PCCP, 2023, 25, 8168-8179 |
| 7246414 | CIF | C8 F8 O S | P 1 21/n 1 | 5.59344; 16.8308; 10.18927 90; 93.3318; 90 | 957.62 | Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 9394-9403 |
| 7246415 | CIF | C8 H5 F3 O S | P 1 21/c 1 | 8.0609; 5.4728; 19.87 90; 96.277; 90 | 871.32 | Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 9394-9403 |
| 7246420 | CIF | C228 H168 Ag17 Au10 Cl5 F36 P10 S6 | P 1 21/n 1 | 25.8454; 30.9591; 33.6076 90; 100.869; 90 | 26408.7 | Ma, Along; Wang, Jiawei; Kong, Jie; Ren, Yonggang; Wang, Yuxuan; Ma, Xiaoshuang; Zhou, Meng; Wang, Shuxin Au<sub>10</sub>Ag<sub>17</sub>(TPP)<sub>10</sub>(SR)<sub>6</sub>Cl<sub>5</sub> nanocluster: structure, transformation and the origin of its photoluminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 9772-9778 |
| 7246421 | CIF | C32 H19 N4 O4 Zn | P -1 | 10.4776; 11.3099; 11.4836 75.205; 73.441; 73.736 | 1229.18 | Qi, Shengsheng; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming A Zn-coordination polymer as a multifunctional fluorescent probe for the detection of V<sub>2</sub>O<sub>7</sub><sup>4-</sup>, Fe<sup>3+</sup>, and <i>p</i>-nitrotoluene. Physical chemistry chemical physics : PCCP, 2023, 25, 10090-10096 |
| 7246426 | CIF | C12 H28 Cl2 Mo N2 O2 | R 3 c :H | 27.6725; 27.6725; 12.4913 90; 90; 120 | 8283.9 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7246427 | CIF | C24 H57 Cl4 Mo2 N5 O2 | P -1 | 9.9569; 11.9148; 16.1787 82.1846; 81.8216; 74.5167 | 1821.19 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7246428 | CIF | C32 H77 Cl7 Mo3 N7 O2 | P -1 | 11.6961; 15.988; 16.238 113.368; 108.738; 97.767 | 2516.4 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7246440 | CIF | C12 H10 | P m c 21 | 14.008; 8.2826; 7.2443 90; 90; 90 | 840.5 | Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP, 2023, 25, 11464-11476 |
| 7246441 | CIF | C12 H10 | P m c 21 | 13.8982; 8.2537; 7.154 90; 90; 90 | 820.65 | Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP, 2023, 25, 11464-11476 |
| 7246442 | CIF | C12 H10 | P m c 21 | 13.8073; 8.2291; 7.0858 90; 90; 90 | 805.1 | Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W. Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond. Physical chemistry chemical physics : PCCP, 2023, 25, 11464-11476 |
| 7246466 | CIF | C16 H52 B4 Gd N | P 1 21/c 1 | 11.09; 19.997; 14.7492 90; 128.282; 90 | 2567.5 | Magott, Michał; Wegner, Wojciech Approaching the free-ion limit in magnetically isotropic gadolinium(III) <i>via</i> borohydride ligands. Physical chemistry chemical physics : PCCP, 2023, 25, 10689-10696 |
| 7246469 | CIF | C10 H11 I N2 | F d d d :2 | 6.721; 19.9988; 32.6212 90; 90; 90 | 4384.7 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246470 | CIF | C12 H15.25 Br N2 O0.12 | P 1 21/c 1 | 15.3346; 15.1704; 10.1934 90; 91.8457; 90 | 2370.08 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246471 | CIF | C5 H5 I N2 | I 4/m m m | 10.3872; 10.3872; 13.2209 90; 90; 90 | 1426.45 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246472 | CIF | C5 H7 I2 N3 | P 61 | 7.0916; 7.0916; 31.4164 90; 90; 120 | 1368.28 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246473 | CIF | C12 H13 I3 N2 O2 | P 21 21 21 | 8.2027; 13.5124; 14.3668 90; 90; 90 | 1592.39 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246474 | CIF | C10 H13 I N2 O | P 1 21/c 1 | 7.3757; 19.8901; 8.6493 90; 114.402; 90 | 1155.53 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246475 | CIF | C6 H8 I N S | P 1 21/c 1 | 6.9824; 15.4554; 7.8105 90; 91.042; 90 | 842.74 | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 10599-10603 |
| 7246526 | CIF | C10 H4 Br4 N2 | P 1 21 1 | 7.9676; 8.5676; 9.6639 90; 105.119; 90 | 636.85 | Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions. Physical chemistry chemical physics : PCCP, 2023, 25, 11493-11500 |
| 7246527 | CIF | C10 H4 Br4 N2 | P 1 21/c 1 | 6.2037; 6.6476; 15.677 90; 95.856; 90 | 643.14 | Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions. Physical chemistry chemical physics : PCCP, 2023, 25, 11493-11500 |
| 7246528 | CIF | C10 H4 Br4 N2 | P 1 21/n 1 | 9.7944; 9.9395; 13.1845 90; 97.554; 90 | 1272.4 | Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions. Physical chemistry chemical physics : PCCP, 2023, 25, 11493-11500 |
| 7246547 | CIF | C30 H34 Dy2 N12 O12 | P 1 21/n 1 | 11.302; 14.387; 11.454 90; 105.017; 90 | 1798.8 | Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations. Physical chemistry chemical physics : PCCP, 2023, 25, 11717-11724 |
| 7246548 | CIF | C30 H46 Dy2 N12 O18 | P -1 | 9.182; 10.72; 12.462 86.385; 88.762; 67.666 | 1132.4 | Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations. Physical chemistry chemical physics : PCCP, 2023, 25, 11717-11724 |
| 7246564 | CIF | C19 H18 B F3 N2 S | P -1 | 7.3747; 8.7258; 13.7648 80.5679; 82.5851; 86.1805 | 865.55 | Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl A new green-to-blue upconversion system with efficient photoredox catalytic properties. Physical chemistry chemical physics : PCCP, 2023, 25, 12041-12049 |
| 7246565 | CIF | C19 H17 B Br F3 N2 S | P -1 | 16.7902; 16.967; 17.0009 117.894; 101.58; 107.565 | 3729.8 | Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl A new green-to-blue upconversion system with efficient photoredox catalytic properties. Physical chemistry chemical physics : PCCP, 2023, 25, 12041-12049 |
| 7246623 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.9201; 18.1588; 18.7085 90; 119.419; 90 | 5302.9 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246624 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.0591; 17.8559; 18.1668 90; 117.356; 90 | 4914.9 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246625 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.84431; 18.07445; 18.68645 90; 119.136; 90 | 5264.28 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246626 | CIF | C44 H32 F12 Fe N10 O12 S4 | P 1 21/c 1 | 17.09; 17.886; 18.179 90; 117.147; 90 | 4944.7 | Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement. Physical chemistry chemical physics : PCCP, 2023, 25, 12394-12400 |
| 7246640 | CIF | C18 H20 B10 | P -1 | 10.227; 13.29; 14.005 105.691; 95.959; 90.075 | 1821.8 | Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene. Physical chemistry chemical physics : PCCP, 2023, 25, 11839-11844 |
| 7246641 | CIF | C18 H20 B10 | P 1 21/n 1 | 10.943; 11.516; 14.661 90; 90.013; 90 | 1847.6 | Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene. Physical chemistry chemical physics : PCCP, 2023, 25, 11839-11844 |
| 7246661 | CIF | C18 H18 N6 O7 Zn | P 1 21/c 1 | 13.1168; 14.3578; 11.4115 90; 114.778; 90 | 1951.3 | Ke, Hao-Wei; Sung, Kuangsen 7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence? Physical chemistry chemical physics : PCCP, 2023, 25, 14627-14634 |
| 7246662 | CIF | C18 H18 N4 O | P 1 21/c 1 | 29.3977; 12.9915; 8.0412 90; 94.861; 90 | 3060.05 | Ke, Hao-Wei; Sung, Kuangsen 7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence? Physical chemistry chemical physics : PCCP, 2023, 25, 14627-14634 |
| 7246729 | CIF | C4 H5 Br2 Cu N O S | P 1 21/n 1 | 3.9875; 15.785; 13.2012 90; 96.532; 90 | 825.53 | Coetzee, Stefan; Turnbull, Mark M.; Landee, Christopher P.; Monroe, Jeffrey C.; Deumal, Mercè; Novoa, Juan J.; Rademeyer, Melanie Satellite ligand effects on magnetic exchange in dimers. A structural, magnetic and theoretical investigation of Cu<sub>2</sub>L<sub>2</sub>X<sub>4</sub> (L = methylisothiazolinone and X = Cl<sup>-</sup>, Br<sup>-</sup>). Physical chemistry chemical physics : PCCP, 2023, 25, 9176-9187 |
| 7246757 | CIF | C72 H50 | P b c a | 15.3557; 24.0251; 27.6817 90; 90; 90 | 10212.4 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246758 | CIF | C78 H55 N O2 | P -1 | 11.0348; 11.8689; 23.7364 87.797; 87.113; 65.626 | 2827.6 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246759 | CIF | C79 H58 | P -1 | 11.0605; 11.8611; 23.6616 88.391; 86.937; 65.319 | 2816.5 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246760 | CIF | C72 H50 | P -1 | 14.9441; 15.009; 24.0523 93.926; 104.887; 91.282 | 5197 | R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F How great is the stabilization of crowded polyphenylbiphenyls by London dispersion? Physical chemistry chemical physics : PCCP, 2023, 25, 13359-13375 |
| 7246761 | CIF | C20 H22 N2 O2 | C 1 c 1 | 15.7967; 11.6889; 9.4813 90; 97.276; 90 | 1736.59 | Lakhani, Pratikkumar; Chodvadiya, Darshil; Jha, Prafulla K.; Gupta, Vivek Kumar; Trzybiński, Damian; Wozniak, Krzysztof; Kurzydłowski, Krzysztof; Goutam, U. K.; Srivastava, Himanshu; Modi, Chetan K. DFT stimulation and experimental insights of chiral Cu(II)-salen scaffold within the pocket of MWW-zeolite and its catalytic study. Physical chemistry chemical physics : PCCP, 2023, 25, 14374-14386 |
| 7246762 | CIF | C17 H16 N2 | P -1 | 10.2581; 10.4004; 26.808 79.118; 80.982; 89.642 | 2773.1 | Nakanishi, W.; Matsushita, Y.; Takeuchi, M.; Sagisaka, K. Dipole-moment-induced supramolecular assembly of a donor-acceptor-type molecule on a metal surface and in a crystal. Physical chemistry chemical physics : PCCP, 2023, 25, 13702-13707 |
| 7246773 | CIF | C7 H14 O6 | P 21 21 21 | 7.7218; 8.491; 13.0382 90; 90; 90 | 854.86 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246774 | CIF | C7 H16 O7 | P 21 21 21 | 6.105; 7.4158; 21.1354 90; 90; 90 | 956.87 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246775 | CIF | C7 H14 O6 | P 21 21 21 | 5.2396; 11.2244; 14.6702 90; 90; 90 | 862.77 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246776 | CIF | C7 H14 O6 | P 21 21 21 | 5.2406; 11.2187; 14.6715 90; 90; 90 | 862.58 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246777 | CIF | C14 H30 O13 | P 41 21 2 | 7.3491; 7.3491; 34.1307 90; 90; 90 | 1843.37 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246778 | CIF | C7 H15 O6.5 | P 41 21 2 | 7.3472; 7.3472; 34.1458 90; 90; 90 | 1843.24 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246779 | CIF | C7 H14 O6 | P 21 21 21 | 9.262; 9.3748; 9.9796 90; 90; 90 | 866.52 | Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S. One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography. Physical chemistry chemical physics : PCCP, 2023, 25, 16048-16059 |
| 7246790 | CIF | C27 H23 Cu0.5 F3 N P1.5 | P -3 c 1 | 19.756; 19.756; 20.2456 90; 90; 120 | 6843.2 | Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy. Physical chemistry chemical physics : PCCP, 2023, 25, 15873-15884 |
| 7246810 | CIF | C52 H48 Cd2 N4 O19 | P -1 | 10.116; 10.401; 13.707 92.118; 106.385; 116.737 | 1212.9 | Song, Xiaoming; Dong, Wenzhuo; Hou, Xiufang; Zhao, Qingxia; Zhang, Zhuangzhuang; Ren, Yixia The high fluorescence sensitivity property and quenching mechanism of one-dimensional Cd-HCIA-1 sensor for nitrobenzene. Physical chemistry chemical physics : PCCP, 2023, 25, 14907-14917 |
| 7246847 | CIF | C15 H21 Cl2 N3 O2 | P -1 | 7.0963; 9.7638; 12.7882 111.519; 96.992; 92.865 | 813.85 | Mojzych, Ilona; Zawadzka, Anna; Kaczyńska, Katarzyna; Wojciechowski, Piotr; Zając, Dominika; Chotkowski, Maciej; Wiktorska, Katarzyna; Maurin, Jan K.; Mazur, Maciej A tetrahydroacridine derivative and its conjugate with gold nanoparticles: promising agents for the treatment of Alzheimer's disease. Physical chemistry chemical physics : PCCP, 2023, 25, 16796-16806 |
| 7246848 | CIF | C48 H61 B F4 N2 O | P 1 21 1 | 17.0916; 17.0966; 17.6141 90; 118.3; 90 | 4531.8 | Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids. Physical chemistry chemical physics : PCCP, 2023, 25, 15463-15468 |
| 7246849 | CIF | C73.5 H54 B2 Cl3 F30 N3 O | P -1 | 14.6277; 16.6892; 17.0756 112.68; 96.2268; 105.711 | 3594.61 | Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids. Physical chemistry chemical physics : PCCP, 2023, 25, 15463-15468 |
| 7246850 | CIF | C28 H34 F3 Fe2 I N2 | P 21 21 21 | 5.7701; 11.1748; 42.916 90; 90; 90 | 2767.2 | Kreienborg, Nora M.; Otte, Felix; Strohmann, Carsten; Merten, Christian Simultaneous observation of halogen-lone pair and halogen-π interactions of ferrocene derivatives under cryogenic conditions. Physical chemistry chemical physics : PCCP, 2023, 25, 15110-15114 |
| 7246944 | CIF | C42 H26 N2 O4 | C 1 2/c 1 | 25.526; 5.3037; 23.743 90; 116.39; 90 | 2879.4 | Sosorev, Andrey Yu; Ponomarev, Igor I.; Dominskiy, Dmitry I.; Lyssenko, Konstantin A.; Parashchuk, Olga D.; Trukhanov, Vasily A.; Konstantinov, Vladislav G.; Dubinets, Nikita O.; Paraschuk, Dmitry Yu Structure and properties of naphthalene-diimide <i>N</i>-functionalized with stilbene. Physical chemistry chemical physics : PCCP, 2023, 25, 19562-19575 |
| 7246960 | CIF | C7 H5 N S | P 1 21/c 1 | 8.8648; 4.5145; 16.948 90; 97.83; 90 | 671.94 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
| 7246961 | CIF | C5 H4 O S | P 1 21/n 1 | 7.23; 7.9881; 8.7762 90; 91.799; 90 | 506.61 | Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak Quantitative evaluation of the electronic features involving "nucleophilic-electrophilic" character in the chalcogen sulfur. Physical chemistry chemical physics : PCCP, 2023, 25, 19427-19434 |
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