Crystallography Open Database

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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 25

COD ID: 7245944
CIF file Formula: - C27 H24 F4 O2 -
Comments: 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 25(1) (2022) 724-735
Space group: P 1 21/n 1
Cell volume: 2309.12
Cell parameters: 7.7001; 26.8744; 11.3043; 90; 99.2084; 90;  

COD ID: 7245983
CIF file Formula: - C33 H30 O3 -
Comments: 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 25(1) (2022) 684-689
Space group: P 1 21/c 1
Cell volume: 4743
Cell parameters: 21.3546; 8.2429; 27.6061; 90; 102.563; 90;  

COD ID: 7246057
CIF file Formula: - C99 H102 Cu3 N7 O8 S7 -
Comments: 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 25(4) (2023) 3220-3231
Space group: P -1
Cell volume: 4599.03
Cell parameters: 12.2143; 14.3299; 28.9827; 94.412; 100.883; 110.808;  

COD ID: 7246058
CIF file Formula: - C121 H134 Cu4 N8 O8 S8 -
Comments: 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 25(4) (2023) 3220-3231
Space group: P 1 21/c 1
Cell volume: 6024.8
Cell parameters: 13.1244; 35.681; 14.415; 90; 116.81; 90;  

COD ID: 7246148
CIF file Formula: - C43 H27 N3 O6 -
Comments: 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 25(7) (2023) 5459-5467
Space group: P 1 21/m 1
Cell volume: 1863.4
Cell parameters: 8.8004; 18.927; 11.5824; 90; 105.01; 90;  

COD ID: 7246149
CIF file Formula: - C56 H57 Co N3 O6 -
Comments: 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 25(7) (2023) 5459-5467
Space group: C 1 2/c 1
Cell volume: 4655.3
Cell parameters: 19.8607; 18.497; 12.9906; 90; 102.711; 90;  

COD ID: 7246150
CIF file Formula: - C46 H27 Co N3 O6 -
Comments: 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 25(7) (2023) 5459-5467
Space group: R -3 c :H
Cell volume: 5632.14
Cell parameters: 13.8716; 13.8716; 33.7979; 90; 90; 120;  

COD ID: 7246167
CIF file Formula: - C26 H22 B F3 N P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P -1
Cell volume: 2263.21
Cell parameters: 10.1902; 13.3195; 18.9127; 70.363; 83.801; 69.417;  

COD ID: 7246168
CIF file Formula: - C25 H22 B F4 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P 1 21/c 1
Cell volume: 2167.9
Cell parameters: 9.4958; 21.5696; 11.1131; 90; 107.745; 90;  

COD ID: 7246169
CIF file Formula: - C27 H24 B N2 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P 1 21/n 1
Cell volume: 2262.12
Cell parameters: 9.5349; 14.5833; 16.4465; 90; 98.44; 90;  

COD ID: 7246170
CIF file Formula: - C27 H22 B F2 N2 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P 1 21/c 1
Cell volume: 4638.26
Cell parameters: 13.3421; 17.2505; 20.2011; 90; 93.974; 90;  

COD ID: 7246171
CIF file Formula: - C28 H23 B N3 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P b c a
Cell volume: 4844.98
Cell parameters: 13.4269; 17.485; 20.6372; 90; 90; 90;  

COD ID: 7246172
CIF file Formula: - C28 H22 B F N3 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P b c a
Cell volume: 4900.71
Cell parameters: 13.4477; 17.6586; 20.6374; 90; 90; 90;  

COD ID: 7246173
CIF file Formula: - C29 H22 B N4 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P -1
Cell volume: 1277.58
Cell parameters: 8.9003; 11.636; 13.5576; 111.524; 90.565; 100.936;  

COD ID: 7246174
CIF file Formula: - C26 H25 B N P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P -1
Cell volume: 2194.86
Cell parameters: 9.9936; 13.0398; 18.8613; 70.179; 83.275; 71.674;  

COD ID: 7246175
CIF file Formula: - C27 H23 B F N2 P -
Comments: 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 25(6) (2023) 5037-5048
Space group: P -1
Cell volume: 4703.52
Cell parameters: 9.8978; 21.7519; 21.8961; 92.669; 90.076; 92.765;  

COD ID: 7246211
CIF file Formula: - C20 H16 N2 O7 -
Comments: 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 25(7) (2023) 5849-5856
Space group: P 21 21 21
Cell volume: 1845.62
Cell parameters: 8.2281; 10.5056; 21.3512; 90; 90; 90;  

COD ID: 7246212
CIF file Formula: - C57 H49 Cl3 N8 O28 -
Comments: 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 25(7) (2023) 5849-5856
Space group: P 1 21 1
Cell volume: 3135.36
Cell parameters: 13.9471; 13.6917; 16.7692; 90; 101.73; 90;  

COD ID: 7246213
CIF file Formula: - C17 H18 N2 O7 -
Comments: 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 25(7) (2023) 5849-5856
Space group: C 1 2 1
Cell volume: 3570.25
Cell parameters: 58.307; 6.7934; 9.0204; 90; 92.252; 90;  

COD ID: 7246355
CIF file Formula: - H6 La3 Na3 O27 S6 -
Comments: 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 25(11) (2023) 8168-8179
Space group: P 31
Cell volume: 552.89
Cell parameters: 7.0227; 7.0227; 12.945; 90; 90; 120;  

COD ID: 7246414
CIF file Formula: - C8 F8 O S -
Comments: 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 25(13) (2023) 9394-9403
Space group: P 1 21/n 1
Cell volume: 957.62
Cell parameters: 5.59344; 16.8308; 10.18927; 90; 93.3318; 90;  

COD ID: 7246415
CIF file Formula: - C8 H5 F3 O S -
Comments: 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 25(13) (2023) 9394-9403
Space group: P 1 21/c 1
Cell volume: 871.32
Cell parameters: 8.0609; 5.4728; 19.87; 90; 96.277; 90;  

COD ID: 7246420
CIF file Formula: - C228 H168 Ag17 Au10 Cl5 F36 P10 S6 -
Comments: 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 25(14) (2023) 9772-9778
Space group: P 1 21/n 1
Cell volume: 26408.7
Cell parameters: 25.8454; 30.9591; 33.6076; 90; 100.869; 90;  

COD ID: 7246421
CIF file Formula: - C32 H19 N4 O4 Zn -
Comments: 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 25(14) (2023) 10090-10096
Space group: P -1
Cell volume: 1229.18
Cell parameters: 10.4776; 11.3099; 11.4836; 75.205; 73.441; 73.736;  

COD ID: 7246426
CIF file Formula: - C12 H28 Cl2 Mo N2 O2 -
Comments: 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 25(12) (2023) 8336-8340
Space group: R 3 c :H
Cell volume: 8283.9
Cell parameters: 27.6725; 27.6725; 12.4913; 90; 90; 120;  

COD ID: 7246427
CIF file Formula: - C24 H57 Cl4 Mo2 N5 O2 -
Comments: 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 25(12) (2023) 8336-8340
Space group: P -1
Cell volume: 1821.19
Cell parameters: 9.9569; 11.9148; 16.1787; 82.1846; 81.8216; 74.5167;  

COD ID: 7246428
CIF file Formula: - C32 H77 Cl7 Mo3 N7 O2 -
Comments: 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 25(12) (2023) 8336-8340
Space group: P -1
Cell volume: 2516.4
Cell parameters: 11.6961; 15.988; 16.238; 113.368; 108.738; 97.767;  

COD ID: 7246440
CIF file Formula: - C12 H10 -
Comments: 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 25(16) (2023) 11464-11476
Space group: P m c 21
Cell volume: 840.5
Cell parameters: 14.008; 8.2826; 7.2443; 90; 90; 90;  

COD ID: 7246441
CIF file Formula: - C12 H10 -
Comments: 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 25(16) (2023) 11464-11476
Space group: P m c 21
Cell volume: 820.65
Cell parameters: 13.8982; 8.2537; 7.154; 90; 90; 90;  

COD ID: 7246442
CIF file Formula: - C12 H10 -
Comments: 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 25(16) (2023) 11464-11476
Space group: P m c 21
Cell volume: 805.1
Cell parameters: 13.8073; 8.2291; 7.0858; 90; 90; 90;  

COD ID: 7246466
CIF file Formula: - C16 H52 B4 Gd N -
Comments: Magott, Michał; Wegner, Wojciech Approaching the free-ion limit in magnetically isotropic gadolinium(III) <i>via</i> borohydride ligands. Physical chemistry chemical physics : PCCP 25(15) (2023) 10689-10696
Space group: P 1 21/c 1
Cell volume: 2567.5
Cell parameters: 11.09; 19.997; 14.7492; 90; 128.282; 90;  

COD ID: 7246469
CIF file Formula: - C10 H11 I N2 -
Comments: 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 25(15) (2023) 10599-10603
Space group: F d d d :2
Cell volume: 4384.7
Cell parameters: 6.721; 19.9988; 32.6212; 90; 90; 90;  

COD ID: 7246470
CIF file Formula: - C12 H15.25 Br N2 O0.12 -
Comments: 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 25(15) (2023) 10599-10603
Space group: P 1 21/c 1
Cell volume: 2370.08
Cell parameters: 15.3346; 15.1704; 10.1934; 90; 91.8457; 90;  

COD ID: 7246471
CIF file Formula: - C5 H5 I N2 -
Comments: 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 25(15) (2023) 10599-10603
Space group: I 4/m m m
Cell volume: 1426.45
Cell parameters: 10.3872; 10.3872; 13.2209; 90; 90; 90;  

COD ID: 7246472
CIF file Formula: - C5 H7 I2 N3 -
Comments: 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 25(15) (2023) 10599-10603
Space group: P 61
Cell volume: 1368.28
Cell parameters: 7.0916; 7.0916; 31.4164; 90; 90; 120;  

COD ID: 7246473
CIF file Formula: - C12 H13 I3 N2 O2 -
Comments: 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 25(15) (2023) 10599-10603
Space group: P 21 21 21
Cell volume: 1592.39
Cell parameters: 8.2027; 13.5124; 14.3668; 90; 90; 90;  

COD ID: 7246474
CIF file Formula: - C10 H13 I N2 O -
Comments: 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 25(15) (2023) 10599-10603
Space group: P 1 21/c 1
Cell volume: 1155.53
Cell parameters: 7.3757; 19.8901; 8.6493; 90; 114.402; 90;  

COD ID: 7246475
CIF file Formula: - C6 H8 I N S -
Comments: 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 25(15) (2023) 10599-10603
Space group: P 1 21/c 1
Cell volume: 842.74
Cell parameters: 6.9824; 15.4554; 7.8105; 90; 91.042; 90;  

COD ID: 7246526
CIF file Formula: - C10 H4 Br4 N2 -
Comments: 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 25(16) (2023) 11493-11500
Space group: P 1 21 1
Cell volume: 636.85
Cell parameters: 7.9676; 8.5676; 9.6639; 90; 105.119; 90;  

COD ID: 7246527
CIF file Formula: - C10 H4 Br4 N2 -
Comments: 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 25(16) (2023) 11493-11500
Space group: P 1 21/c 1
Cell volume: 643.14
Cell parameters: 6.2037; 6.6476; 15.677; 90; 95.856; 90;  

COD ID: 7246528
CIF file Formula: - C10 H4 Br4 N2 -
Comments: 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 25(16) (2023) 11493-11500
Space group: P 1 21/n 1
Cell volume: 1272.4
Cell parameters: 9.7944; 9.9395; 13.1845; 90; 97.554; 90;  

COD ID: 7246547
CIF file Formula: - C30 H34 Dy2 N12 O12 -
Comments: 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 25(16) (2023) 11717-11724
Space group: P 1 21/n 1
Cell volume: 1798.8
Cell parameters: 11.302; 14.387; 11.454; 90; 105.017; 90;  

COD ID: 7246548
CIF file Formula: - C30 H46 Dy2 N12 O18 -
Comments: 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 25(16) (2023) 11717-11724
Space group: P -1
Cell volume: 1132.4
Cell parameters: 9.182; 10.72; 12.462; 86.385; 88.762; 67.666;  

COD ID: 7246564
CIF file Formula: - C19 H18 B F3 N2 S -
Comments: 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 25(17) (2023) 12041-12049
Space group: P -1
Cell volume: 865.55
Cell parameters: 7.3747; 8.7258; 13.7648; 80.5679; 82.5851; 86.1805;  

COD ID: 7246565
CIF file Formula: - C19 H17 B Br F3 N2 S -
Comments: 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 25(17) (2023) 12041-12049
Space group: P -1
Cell volume: 3729.8
Cell parameters: 16.7902; 16.967; 17.0009; 117.894; 101.58; 107.565;  

COD ID: 7246623
CIF file Formula: - C44 H32 F12 Fe N10 O12 S4 -
Comments: 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 25(17) (2023) 12394-12400
Space group: P 1 21/c 1
Cell volume: 5302.9
Cell parameters: 17.9201; 18.1588; 18.7085; 90; 119.419; 90;  

COD ID: 7246624
CIF file Formula: - C44 H32 F12 Fe N10 O12 S4 -
Comments: 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 25(17) (2023) 12394-12400
Space group: P 1 21/c 1
Cell volume: 4914.9
Cell parameters: 17.0591; 17.8559; 18.1668; 90; 117.356; 90;  

COD ID: 7246625
CIF file Formula: - C44 H32 F12 Fe N10 O12 S4 -
Comments: 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 25(17) (2023) 12394-12400
Space group: P 1 21/c 1
Cell volume: 5264.28
Cell parameters: 17.84431; 18.07445; 18.68645; 90; 119.136; 90;  

COD ID: 7246626
CIF file Formula: - C44 H32 F12 Fe N10 O12 S4 -
Comments: 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 25(17) (2023) 12394-12400
Space group: P 1 21/c 1
Cell volume: 4944.7
Cell parameters: 17.09; 17.886; 18.179; 90; 117.147; 90;  

COD ID: 7246640
CIF file Formula: - C18 H20 B10 -
Comments: 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 25(16) (2023) 11839-11844
Space group: P -1
Cell volume: 1821.8
Cell parameters: 10.227; 13.29; 14.005; 105.691; 95.959; 90.075;  

COD ID: 7246641
CIF file Formula: - C18 H20 B10 -
Comments: 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 25(16) (2023) 11839-11844
Space group: P 1 21/n 1
Cell volume: 1847.6
Cell parameters: 10.943; 11.516; 14.661; 90; 90.013; 90;  

COD ID: 7246661
CIF file Formula: - C18 H18 N6 O7 Zn -
Comments: 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 25(20) (2023) 14627-14634
Space group: P 1 21/c 1
Cell volume: 1951.3
Cell parameters: 13.1168; 14.3578; 11.4115; 90; 114.778; 90;  

COD ID: 7246662
CIF file Formula: - C18 H18 N4 O -
Comments: 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 25(20) (2023) 14627-14634
Space group: P 1 21/c 1
Cell volume: 3060.05
Cell parameters: 29.3977; 12.9915; 8.0412; 90; 94.861; 90;  

COD ID: 7246729
CIF file Formula: - C4 H5 Br2 Cu N O S -
Comments: 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 25(13) (2023) 9176-9187
Space group: P 1 21/n 1
Cell volume: 825.53
Cell parameters: 3.9875; 15.785; 13.2012; 90; 96.532; 90;  

COD ID: 7246757
CIF file Formula: - C72 H50 -
Comments: 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 25(19) (2023) 13359-13375
Space group: P b c a
Cell volume: 10212.4
Cell parameters: 15.3557; 24.0251; 27.6817; 90; 90; 90;  

COD ID: 7246758
CIF file Formula: - C78 H55 N O2 -
Comments: 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 25(19) (2023) 13359-13375
Space group: P -1
Cell volume: 2827.6
Cell parameters: 11.0348; 11.8689; 23.7364; 87.797; 87.113; 65.626;  

COD ID: 7246759
CIF file Formula: - C79 H58 -
Comments: 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 25(19) (2023) 13359-13375
Space group: P -1
Cell volume: 2816.5
Cell parameters: 11.0605; 11.8611; 23.6616; 88.391; 86.937; 65.319;  

COD ID: 7246760
CIF file Formula: - C72 H50 -
Comments: 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 25(19) (2023) 13359-13375
Space group: P -1
Cell volume: 5197
Cell parameters: 14.9441; 15.009; 24.0523; 93.926; 104.887; 91.282;  

COD ID: 7246761
CIF file Formula: - C20 H22 N2 O2 -
Comments: 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 25(20) (2023) 14374-14386
Space group: C 1 c 1
Cell volume: 1736.59
Cell parameters: 15.7967; 11.6889; 9.4813; 90; 97.276; 90;  

COD ID: 7246762
CIF file Formula: - C17 H16 N2 -
Comments: 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 25(19) (2023) 13702-13707
Space group: P -1
Cell volume: 2773.1
Cell parameters: 10.2581; 10.4004; 26.808; 79.118; 80.982; 89.642;  

COD ID: 7246773
CIF file Formula: - C7 H14 O6 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 21 21 21
Cell volume: 854.86
Cell parameters: 7.7218; 8.491; 13.0382; 90; 90; 90;  

COD ID: 7246774
CIF file Formula: - C7 H16 O7 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 21 21 21
Cell volume: 956.87
Cell parameters: 6.105; 7.4158; 21.1354; 90; 90; 90;  

COD ID: 7246775
CIF file Formula: - C7 H14 O6 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 21 21 21
Cell volume: 862.77
Cell parameters: 5.2396; 11.2244; 14.6702; 90; 90; 90;  

COD ID: 7246776
CIF file Formula: - C7 H14 O6 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 21 21 21
Cell volume: 862.58
Cell parameters: 5.2406; 11.2187; 14.6715; 90; 90; 90;  

COD ID: 7246777
CIF file Formula: - C14 H30 O13 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 41 21 2
Cell volume: 1843.37
Cell parameters: 7.3491; 7.3491; 34.1307; 90; 90; 90;  

COD ID: 7246778
CIF file Formula: - C7 H15 O6.5 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 41 21 2
Cell volume: 1843.24
Cell parameters: 7.3472; 7.3472; 34.1458; 90; 90; 90;  

COD ID: 7246779
CIF file Formula: - C7 H14 O6 -
Comments: 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 25(23) (2023) 16048-16059
Space group: P 21 21 21
Cell volume: 866.52
Cell parameters: 9.262; 9.3748; 9.9796; 90; 90; 90;  

COD ID: 7246790
CIF file Formula: - C27 H23 Cu0.5 F3 N P1.5 -
Comments: 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 25(23) (2023) 15873-15884
Space group: P -3 c 1
Cell volume: 6843.2
Cell parameters: 19.756; 19.756; 20.2456; 90; 90; 120;  

COD ID: 7246810
CIF file Formula: - C52 H48 Cd2 N4 O19 -
Comments: 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 25(21) (2023) 14907-14917
Space group: P -1
Cell volume: 1212.9
Cell parameters: 10.116; 10.401; 13.707; 92.118; 106.385; 116.737;  

COD ID: 7246847
CIF file Formula: - C15 H21 Cl2 N3 O2 -
Comments: 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 25(25) (2023) 16796-16806
Space group: P -1
Cell volume: 813.85
Cell parameters: 7.0963; 9.7638; 12.7882; 111.519; 96.992; 92.865;  

COD ID: 7246848
CIF file Formula: - C48 H61 B F4 N2 O -
Comments: 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 25(22) (2023) 15463-15468
Space group: P 1 21 1
Cell volume: 4531.8
Cell parameters: 17.0916; 17.0966; 17.6141; 90; 118.3; 90;  

COD ID: 7246849
CIF file Formula: - C73.5 H54 B2 Cl3 F30 N3 O -
Comments: 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 25(22) (2023) 15463-15468
Space group: P -1
Cell volume: 3594.61
Cell parameters: 14.6277; 16.6892; 17.0756; 112.68; 96.2268; 105.711;  

COD ID: 7246850
CIF file Formula: - C28 H34 F3 Fe2 I N2 -
Comments: 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 25(22) (2023) 15110-15114
Space group: P 21 21 21
Cell volume: 2767.2
Cell parameters: 5.7701; 11.1748; 42.916; 90; 90; 90;  

COD ID: 7246944
CIF file Formula: - C42 H26 N2 O4 -
Comments: 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 25(29) (2023) 19562-19575
Space group: C 1 2/c 1
Cell volume: 2879.4
Cell parameters: 25.526; 5.3037; 23.743; 90; 116.39; 90;  

COD ID: 7246960
CIF file Formula: - C7 H5 N S -
Comments: 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 25(29) (2023) 19427-19434
Space group: P 1 21/c 1
Cell volume: 671.94
Cell parameters: 8.8648; 4.5145; 16.948; 90; 97.83; 90;  

COD ID: 7246961
CIF file Formula: - C5 H4 O S -
Comments: 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 25(29) (2023) 19427-19434
Space group: P 1 21/n 1
Cell volume: 506.61
Cell parameters: 7.23; 7.9881; 8.7762; 90; 91.799; 90;  

COD ID: 7246962
CIF file Formula: - C5 H4 O S -
Comments: 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 25(29) (2023) 19427-19434
Space group: P 21 21 21
Cell volume: 523.511
Cell parameters: 5.5255; 5.9089; 16.0342; 90; 90; 90;  

COD ID: 7246963
CIF file Formula: - C8 H4 F3 N S -
Comments: 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 25(29) (2023) 19427-19434
Space group: P 1 21/c 1
Cell volume: 832.15
Cell parameters: 13.2687; 7.8122; 8.0302; 90; 91.369; 90;  

COD ID: 7246964
CIF file Formula: - C5 H3 Br O S -
Comments: 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 25(29) (2023) 19427-19434
Space group: P 1 21/c 1
Cell volume: 598.69
Cell parameters: 4.1013; 8.5014; 17.1726; 90; 90.856; 90;  

COD ID: 7246973
CIF file Formula: - C228 H234 Ag10 Cu16 F24 O19 P4 S16 -
Comments: Sun, Xueli; Li, Simin; Tian, Guolong; Gao, Yanli; Wei, Jianyu; Shen, Hui Ag<sub>10</sub>Cu<sub>16</sub> nanoclusters with triple-ligand protection: total structure and electronic structure analysis. Physical chemistry chemical physics : PCCP 25(27) (2023) 17901-17906
Space group: P 1 21/n 1
Cell volume: 11716.7
Cell parameters: 18.3848; 34.2944; 18.6956; 90; 96.282; 90;  

COD ID: 7246983
CIF file Formula: - C18 H20 O4 -
Comments: Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent. Physical chemistry chemical physics : PCCP 25(27) (2023) 18481-18494
Space group: P b c a
Cell volume: 3057.27
Cell parameters: 5.214; 23.4393; 25.016; 90; 90; 90;  

COD ID: 7246995
CIF file Formula: - C15 H11 N O3 S -
Comments: Bhattacharyya, Arghyadeep; Bhakta, Viki; Guchhait, Nikhil Structural isomerism induces pH dependent AIE-coupled ESIPT: an in-depth spectroscopic exploration with application in amine vapor sensing. Physical chemistry chemical physics : PCCP 25(26) (2023) 17482-17495
Space group: P c a 21
Cell volume: 1273.8
Cell parameters: 27.449; 5.9185; 7.8408; 90; 90; 90;  

COD ID: 7246997
CIF file Formula: - C3 H2 N6 O6 -
Comments: Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP 25(30) (2023) 20168-20172
Space group: C 1 c 1
Cell volume: 793.2
Cell parameters: 9.5399; 8.8744; 10.5124; 90; 116.97; 90;  

COD ID: 7246998
CIF file Formula: - C3 H2 N6 O6 -
Comments: Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP 25(30) (2023) 20168-20172
Space group: P 1 21/n 1
Cell volume: 771.06
Cell parameters: 7.0555; 12.4013; 9.011; 90; 102.052; 90;  

COD ID: 7246999
CIF file Formula: - C3 H5 N7 O7 -
Comments: Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP 25(30) (2023) 20168-20172
Space group: P 1 n 1
Cell volume: 438.73
Cell parameters: 4.882; 10.0306; 8.9963; 90; 95.203; 90;  

COD ID: 7247000
CIF file Formula: - C3 H7 N7 O8 -
Comments: Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui Regulation of stability and density of energetic materials <i>via</i> isomerism. Physical chemistry chemical physics : PCCP 25(30) (2023) 20168-20172
Space group: P 1 21/c 1
Cell volume: 1021.3
Cell parameters: 6.4647; 15.866; 10.027; 90; 96.745; 90;  

COD ID: 7247023
CIF file Formula: - C34 H30 N2 O2 S -
Comments: Kumar, Krishan; Karmakar, Anirban; Chen, Feng-Rong; Jou, Jwo-Huei; Ghosh, Subrata; Banik, Subrata; Kumar, Sunil Rationally heteroarylated pyridines as hole transport materials for OLEDs. Physical chemistry chemical physics : PCCP 25(29) (2023) 19648-19659
Space group: P 1 21/c 1
Cell volume: 2891.2
Cell parameters: 15.6071; 10.1092; 19.5816; 90; 110.641; 90;  

COD ID: 7247120
CIF file Formula: - C21 H15 F3 N3 O -
Comments: Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical. Physical chemistry chemical physics : PCCP 25(34) (2023) 22813-22818
Space group: P -1
Cell volume: 854.15
Cell parameters: 4.5991; 10.1298; 19.1657; 79.202; 83.246; 77.704;  

COD ID: 7247121
CIF file Formula: - C21 H12 F6 N3 -
Comments: Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical. Physical chemistry chemical physics : PCCP 25(34) (2023) 22813-22818
Space group: P -1
Cell volume: 895.92
Cell parameters: 7.9593; 9.5462; 13.0766; 87.499; 78.856; 66.872;  

COD ID: 7247242
CIF file Formula: - C10 H7 N3 O3 -
Comments: Scheurrell, Kerstin; B Martins, Inês C; Murray, Claire; Emmerling, Franziska Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: <i>in situ</i> investigation and isolation of reaction intermediates. Physical chemistry chemical physics : PCCP 25(35) (2023) 23637-23644
Space group: P 1 21/c 1
Cell volume: 995.94
Cell parameters: 10.89048; 9.54267; 10.63046; 90; 115.645; 90;  

COD ID: 7247252
CIF file Formula: - C13 H10 O S -
Comments: Harrington, Kristen; Hogan, David T.; Sutherland, Todd C.; Stamplecoskie, Kevin Photophysical investigation into room-temperature emission from xanthene derivatives. Physical chemistry chemical physics : PCCP 25(36) (2023) 24829-24837
Space group: P 21 21 21
Cell volume: 992.13
Cell parameters: 6.061; 7.6912; 21.2829; 90; 90; 90;  

COD ID: 7247253
CIF file Formula: - C40 H0.5 In N9 O3 -
Comments: Dou, Chang-Xun; Tian, Xu-Ke; Chen, Ying-Jun; Yin, Pei-Pei; Guo, Jia-Hui; Yang, Xiao-Gang; Guo, Yu-Ming; Ma, Lu-Fang Fast photocatalytic degradation of rhodamine B using indium-porphyrin based cationic MOF under visible light irradiation. Physical chemistry chemical physics : PCCP 25(37) (2023) 25139-25145
Space group: P 1 21/n 1
Cell volume: 1808.58
Cell parameters: 11.7675; 13.1064; 11.8764; 90; 99.112; 90;  

COD ID: 7247257
CIF file Formula: - C46 H50 N4 O8 S4 -
Comments: Packman, Lachlan; Mallo, Neil; Raynor, Aaron; Gao, Mile; Babazadeh, Mohammad; Jin, Hui; Huang, David M.; Burn, Paul L.; Gentle, Ian R.; Shaw, Paul E. The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films. Physical chemistry chemical physics : PCCP 25(35) (2023) 23867-23878
Space group: P 1 21/c 1
Cell volume: 2253.83
Cell parameters: 9.2402; 10.7034; 22.982; 90; 97.437; 90;  

COD ID: 7247438
CIF file Formula: - C35 H19 N7 -
Comments: Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP 25(40) (2023) 27065-27074
Space group: P -1
Cell volume: 1324.38
Cell parameters: 9.8862; 11.8127; 12.3102; 93.827; 93.94; 111.868;  

COD ID: 7247439
CIF file Formula: - C27 H15 N5 -
Comments: Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP 25(40) (2023) 27065-27074
Space group: P 1 21/c 1
Cell volume: 2253.79
Cell parameters: 6.7312; 36.6599; 9.515; 90; 106.283; 90;  

COD ID: 7247487
CIF file Formula: - C12 H18.86 F6 N Na O9 S2 -
Comments: Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP 25(40) (2023) 27836-27847
Space group: C 1 2/c 1
Cell volume: 4428.3
Cell parameters: 29.1334; 8.9809; 18.4512; 90; 113.468; 90;  

COD ID: 7247488
CIF file Formula: - C12 H20 F6 N Na O9 S2 -
Comments: Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP 25(40) (2023) 27836-27847
Space group: C 1 2/c 1
Cell volume: 4512
Cell parameters: 29.292; 9.039; 18.545; 90; 113.231; 90;  

COD ID: 7247489
CIF file Formula: - C20 H22 B F24 N O4 -
Comments: Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP 25(40) (2023) 27718-27730
Space group: P -1
Cell volume: 1490.27
Cell parameters: 8.6128; 11.9192; 14.6382; 93.623; 94.957; 93.773;  

COD ID: 7247490
CIF file Formula: - C17 H30 B F12 O4 P -
Comments: Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP 25(40) (2023) 27718-27730
Space group: P -1
Cell volume: 1285.34
Cell parameters: 9.0301; 9.92; 14.9196; 85.444; 80.521; 77.435;  

COD ID: 7247491
CIF file Formula: - C16 H26 B F12 N O4 -
Comments: Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP 25(40) (2023) 27718-27730
Space group: P 1 21/c 1
Cell volume: 9286.17
Cell parameters: 17.6281; 18.6841; 28.371; 90; 96.401; 90;  

COD ID: 7247496
CIF file Formula: - C20 H12 N2 S -
Comments: Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP 25(42) (2023) 29327-29340
Space group: P 1 21/c 1
Cell volume: 1558.68
Cell parameters: 11.3392; 5.6836; 24.2274; 90; 93.381; 90;  

COD ID: 7247497
CIF file Formula: - C18 H16 N2 S -
Comments: Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP 25(42) (2023) 29327-29340
Space group: P 1 21/c 1
Cell volume: 1596.6
Cell parameters: 18.867; 10.278; 8.239; 90; 92.057; 90;  

COD ID: 7247498
CIF file Formula: - C48 H35.787 O2 Si2 -
Comments: Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP 25(41) (2023) 28113-28118
Space group: P 1 21 1
Cell volume: 5590.76
Cell parameters: 11.19827; 27.60749; 18.08478; 90; 90.5504; 90;  

COD ID: 7247499
CIF file Formula: - C40 H32 O2 Si2 -
Comments: Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP 25(41) (2023) 28113-28118
Space group: P -1
Cell volume: 1530.15
Cell parameters: 10.4534; 12.101; 13.6441; 110.811; 104.524; 95.283;  

COD ID: 7247500
CIF file Formula: - C48 H36 O2 Si2 -
Comments: Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP 25(41) (2023) 28113-28118
Space group: P 1 21/n 1
Cell volume: 3603.3
Cell parameters: 11.2799; 17.2391; 18.9684; 90; 102.339; 90;  

COD ID: 7247501
CIF file Formula: - C48 H36 O2 Si2 -
Comments: Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP 25(41) (2023) 28113-28118
Space group: P 1
Cell volume: 3723.5
Cell parameters: 11.5209; 11.6461; 28.3488; 90.306; 91.906; 101.613;  

COD ID: 7247522
CIF file Formula: - C144 H96 Ag9 Br24 Cl3 P8 Pt -
Comments: Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation. Physical chemistry chemical physics : PCCP 25(44) (2023) 30373-30380
Space group: R -3 :H
Cell volume: 28474.1
Cell parameters: 19.102; 19.102; 90.1075; 90; 90; 120;  

COD ID: 7247523
CIF file Formula: - C16 H32 F6 Li O8 P S4 -
Comments: Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP 25(43) (2023) 29566-29575
Space group: P 1 21/n 1
Cell volume: 2699.94
Cell parameters: 16.7168; 8.3892; 19.5667; 90; 100.287; 90;  

COD ID: 7247524
CIF file Formula: - C5 H8 F3 Li O5 S2 -
Comments: Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP 25(43) (2023) 29566-29575
Space group: I 1 2/a 1
Cell volume: 2196.4
Cell parameters: 8.5408; 23.905; 10.7593; 90; 91.014; 90;  

COD ID: 7247572
CIF file Formula: - C34 H19 F6 I6 N2 P S -
Comments: Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies. Physical chemistry chemical physics : PCCP 25(42) (2023) 28576-28580
Space group: P 1 21/m 1
Cell volume: 1916.84
Cell parameters: 7.2546; 28.912; 9.1504; 90; 92.873; 90;  

COD ID: 7247586
CIF file Formula: - C24 H64 N16 Sb4 Se10 Zn4 -
Comments: Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP 25(43) (2023) 29709-29717
Space group: C 1 2/c 1
Cell volume: 5630
Cell parameters: 30.4965; 7.825; 23.6797; 90; 94.921; 90;  

COD ID: 7247587
CIF file Formula: - C16 H48 N10 S6 Sb2 Zn2 -
Comments: Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP 25(43) (2023) 29709-29717
Space group: I 41/a :2
Cell volume: 6658.1
Cell parameters: 25.9513; 25.9513; 9.8863; 90; 90; 90;  

COD ID: 7247670
CIF file Formula: - C20 H8 I3 N4 S10 -
Comments: Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP 25(45) (2023) 31410-31417
Space group: C 1 2/m 1
Cell volume: 1465.31
Cell parameters: 20.7416; 9.9967; 7.4017; 90; 107.298; 90;  

COD ID: 7247671
CIF file Formula: - C20 H8 I3 N4 S10 -
Comments: Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP 25(45) (2023) 31410-31417
Space group: C 1 2/m 1
Cell volume: 1452.25
Cell parameters: 20.7153; 9.9754; 7.3562; 90; 107.185; 90;  

COD ID: 7247672
CIF file Formula: - C20 H8 I3 N4 S10 -
Comments: Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP 25(45) (2023) 31410-31417
Space group: C 1 2/m 1
Cell volume: 1446.9
Cell parameters: 20.718; 9.96; 7.3352; 90; 107.07; 90;  

COD ID: 7247673
CIF file Formula: - C18 H18 N2 O S2 -
Comments: Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP 25(46) (2023) 31667-31682
Space group: P -1
Cell volume: 1640.93
Cell parameters: 9.2114; 13.4808; 14.52; 76.969; 75.035; 72.648;  

COD ID: 7247674
CIF file Formula: - C44 H44 N4 O2 S2 -
Comments: Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP 25(46) (2023) 31667-31682
Space group: P -1
Cell volume: 1853.15
Cell parameters: 10.1465; 12.0918; 16.0775; 71.168; 85.399; 83.566;  

COD ID: 7247675
CIF file Formula: - C19 H15 Br N2 O -
Comments: Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water. Physical chemistry chemical physics : PCCP 25(46) (2023) 31702-31713
Space group: P 1 21/n 1
Cell volume: 1586.4
Cell parameters: 6.2672; 14.7584; 17.2093; 90; 94.681; 90;  

COD ID: 7247679
CIF file Formula: - C6 Cl5 N O2 -
Comments: Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP 25(44) (2023) 30553-30562
Space group: R -3 :H
Cell volume: 720.15
Cell parameters: 8.716; 8.716; 10.946; 90; 90; 120;  

COD ID: 7247680
CIF file Formula: - C6 Cl5 N O2 -
Comments: Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP 25(44) (2023) 30553-30562
Space group: R -3 :H
Cell volume: 732.86
Cell parameters: 8.744; 8.744; 11.068; 90; 90; 120;  

COD ID: 7247689
CIF file Formula: - C18 H6 N30 O36 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: P 1 21/c 1
Cell volume: 2016.1
Cell parameters: 14.815; 8.0553; 16.905; 90; 92.113; 90;  

COD ID: 7247690
CIF file Formula: - C6 H2 N10 O12 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: P 1 21/c 1
Cell volume: 2133.3
Cell parameters: 15.104; 8.246; 17.1411; 90; 92.235; 90;  

COD ID: 7247691
CIF file Formula: - C3 H N5 O6 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: P 1 21/c 1
Cell volume: 1955.3
Cell parameters: 14.6452; 7.9546; 16.7946; 90; 92.018; 90;  

COD ID: 7247692
CIF file Formula: - C3 N5 O6 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: C 1 c 1
Cell volume: 1742.3
Cell parameters: 19.5713; 7.6509; 14.6982; 90; 127.661; 90;  

COD ID: 7247693
CIF file Formula: - C3 H N5 O6 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: P 1 21/c 1
Cell volume: 2003.1
Cell parameters: 14.7836; 8.0383; 16.867; 90; 92.078; 90;  

COD ID: 7247694
CIF file Formula: - C3 N5 O6 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: C 1 c 1
Cell volume: 1695.3
Cell parameters: 19.3994; 7.5957; 14.5289; 90; 127.637; 90;  

COD ID: 7247695
CIF file Formula: - C3 N5 O6 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: C 1 c 1
Cell volume: 1674
Cell parameters: 19.319; 7.5668; 14.458; 90; 127.623; 90;  

COD ID: 7247696
CIF file Formula: - C6 H2 N10 O12 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: P 1 21/c 1
Cell volume: 2062.7
Cell parameters: 14.937; 8.1341; 16.989; 90; 92.17; 90;  

COD ID: 7247697
CIF file Formula: - C3 H N5 O6 -
Comments: Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP 25(46) (2023) 31646-31654
Space group: P 1 21/c 1
Cell volume: 1812.17
Cell parameters: 14.2569; 7.6573; 16.6118; 90; 92.197; 90;  

COD ID: 7247743
CIF file Formula: - C42 H32 B2 F4 N8 -
Comments: Behera, Kanhu Charan; Ravikanth, Mangalampalli A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore. Physical chemistry chemical physics : PCCP 25(47) (2023) 32584-32593
Space group: P 1 21/c 1
Cell volume: 3775
Cell parameters: 11.505; 37.012; 9.556; 90; 111.92; 90;  


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