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 |
|---|---|---|---|---|---|---|
| 7226957 | CIF | C15 H16 N2 O4 | P 1 21/n 1 | 8.754; 13.5346; 11.9125 90; 96.941; 90 | 1401.07 | Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C. Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism. Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265 |
| 7226958 | CIF | C13 H8 Br2 N2 O3 | P -1 | 8.5277; 10.575; 15.1816 93.258; 101.706; 92.719 | 1336 | Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C. Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism. Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265 |
| 7226959 | CIF | C26 H19 N O3 | P 1 21/c 1 | 11.8923; 12.959; 12.7118 90; 97.638; 90 | 1941.66 | Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C. Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism. Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265 |
| 7226960 | CIF | C13 H10 Cl2 N2 O4 | P 1 21/n 1 | 8.7179; 13.577; 11.6351 90; 96.555; 90 | 1368.16 | Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C. Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism. Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265 |
| 7226961 | CIF | C15 H13 N3 O5 | P -1 | 6.6932; 7.6756; 15.1649 86.795; 85.596; 68.438 | 722.1 | Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C. Structure-behavior study of a family of "hybrid cyanine" dyes which exhibit inverted solvatochromism. Physical chemistry chemical physics : PCCP, 2016, 18, 32256-32265 |
| 7226976 | CIF | C7 H3 Cl F2 O | P 1 21/c 1 | 3.7798; 18.113; 10.051 90; 95.479; 90 | 684.98 | Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination. Physical chemistry chemical physics : PCCP, 2016, 18, 31811-31820 |
| 7226977 | CIF | C7 H2 Cl F3 O | P 1 21/c 1 | 13.4138; 5.1617; 20.5882 90; 97.546; 90 | 1413.14 | Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination. Physical chemistry chemical physics : PCCP, 2016, 18, 31811-31820 |
| 7226978 | CIF | C7 H4 Cl F O | P 1 21/n 1 | 3.8275; 10.9838; 16.3303 90; 95.919; 90 | 682.87 | Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination. Physical chemistry chemical physics : PCCP, 2016, 18, 31811-31820 |
| 7227091 | CIF | C47.5 H37.5 Cl4.5 N2 O6 | P 1 21 1 | 9.374; 35.9; 12.405 90; 93.387; 90 | 4167 | Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Shirasaki, Yoshinao; Ooyama, Yousuke; Ueda, Masashi; Uchiyama, Masanobu; Enomoto, Shuichi; Sawada, Daisuke Water-tunable solvatochromic and nanoaggregate fluorescence: dual colour visualisation and quantification of trace water in tetrahydrofuran. Physical chemistry chemical physics : PCCP, 2017, 19, 1209-1216 |
| 7227105 | CIF | C3 H8 Fe N2 O6 | P n a 21 | 8.811; 7.782; 11.657 90; 90; 90 | 799.3 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227106 | CIF | C3 H8 Fe N2 O6 | P n m a | 8.736; 11.763; 7.871 90; 90; 90 | 808.8 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227107 | CIF | C3 H8 Fe N2 O6 | P 63 | 7.946; 7.946; 7.618 90; 90; 120 | 416.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227108 | CIF | C3 H8 Mn N2 O6 | P 63 | 7.988; 7.988; 7.807 90; 90; 120 | 431.4 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227109 | CIF | C13 H23 Br2 N7 O4 Zn | P 1 21/c 1 | 11.1965; 13.5143; 12.9627 90; 95.488; 90 | 1952.43 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227110 | CIF | C13 H23 Br2 Cl2 N7 O4 Zn2 | P -1 | 7.5332; 11.2812; 15.5208 101.693; 98.883; 105.224 | 1215.85 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227111 | CIF | C12 H32 Mn4 N8 O24 | P 1 21 1 | 16.137; 7.605; 16.14 90; 119.984; 90 | 1715.6 | Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn). Physical chemistry chemical physics : PCCP, 2016, 18, 31653-31663 |
| 7227137 | CIF | C47 H40 F6 O3 P2 Pd | P 1 21/n 1 | 17.5019; 9.8634; 25.5915 90; 108.725; 90 | 4184 | Zhang, Song-Lin; Deng, Zhu-Qin Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity. Physical chemistry chemical physics : PCCP, 2016, 18, 32664-32667 |
| 7227150 | CIF | C4 H4 Mn O6 | C 1 2/c 1 | 13.4976; 7.1793; 7.8799 90; 123.405; 90 | 637.44 | Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C. Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate. Physical chemistry chemical physics : PCCP, 2016, 18, 33329-33334 |
| 7227208 | CIF | C10 H F11 N2 | P 21 21 21 | 5.1207; 9.1029; 24.816 90; 90; 90 | 1156.75 | Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643 |
| 7227209 | CIF | C9 H F9 N2 | P 32 | 12.4065; 12.4065; 5.5725 90; 90; 120 | 742.81 | Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643 |
| 7227210 | CIF | C9 H F9 N2 | P 32 | 12.3863; 12.3863; 5.5727 90; 90; 120 | 740.42 | Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M. Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies. Physical chemistry chemical physics : PCCP, 2017, 19, 1632-1643 |
| 7227211 | CIF | C25 H23 N O3 | P 1 21/c 1 | 16.3324; 7.7981; 15.33 90; 101.178; 90 | 1915.4 | Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. Physical chemistry chemical physics : PCCP, 2017, 19, 1244-1256 |
| 7227212 | CIF | C26 H25 N O4 | P 1 21/n 1 | 12.6799; 9.0474; 18.899 90; 103.126; 90 | 2111.4 | Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. Physical chemistry chemical physics : PCCP, 2017, 19, 1244-1256 |
| 7227213 | CIF | C26 H26 N2 O2 | P -1 | 7.466; 13.752; 20.182 82.47; 84.186; 89.182 | 2043.7 | Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay. Physical chemistry chemical physics : PCCP, 2017, 19, 1244-1256 |
| 7227251 | CIF | C8 H20 B0.504 F4.992 N P0.496 | I -4 | 9.324; 9.324; 7.1369 90; 90; 90 | 620.5 | Matsumoto, Kazuhiko; Nonaka, Ryojun; Wang, Yushen; Veryasov, Gleb; Hagiwara, Rika Formation of a solid solution between [N(C2H5)4][BF4] and [N(C2H5)4][PF6] in crystal and plastic crystal phases. Physical chemistry chemical physics : PCCP, 2017, 19, 2053-2059 |
| 7227252 | CIF | C18 H18 N4 O2 | P 1 21/c 1 | 5.8457; 13.5935; 9.8497 90; 98.476; 90 | 774.14 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
| 7227253 | CIF | C20 H22 N4 O2 | P c a b | 10.2451; 11.074; 15.3632 90; 90; 90 | 1743 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
| 7227254 | CIF | C26 H34 N4 O4 | P 1 21/a 1 | 8.6751; 11.2503; 13.3424 90; 94.681; 90 | 1297.84 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
| 7227255 | CIF | C22 H26 N4 O2 | P 1 21/a 1 | 8.829; 11.313; 10.403 90; 107.834; 90 | 989.1 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
| 7227311 | CIF | C26 H18 Co N4 O2 S2 | P 21 21 21 | 6.7549; 11.0133; 32.2549 90; 90; 90 | 2399.56 | Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers. Physical chemistry chemical physics : PCCP, 2017, 19, 3232-3243 |
| 7227312 | CIF | C16 H14 Co N4 S2 | P -1 | 9.105; 10.7073; 11.0049 115.112; 93.167; 110.952 | 879.62 | Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers. Physical chemistry chemical physics : PCCP, 2017, 19, 3232-3243 |
| 7227313 | CIF | C54 H45 Cr N16 O8 Ru2 S | P 1 21 1 | 12.3182; 22.004; 13.2118 90; 109.093; 90 | 3384.1 | Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D. Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization. Physical chemistry chemical physics : PCCP, 2017, 19, 2882-2893 |
| 7227314 | CIF | C47 H43 Cl F12 N10 O P2 Ru2 | P 1 21/c 1 | 13.779; 18.119; 22.414 90; 92.599; 90 | 5590 | Cadranel, Alejandro; Tate, Jaired E.; Oviedo, Paola S.; Yamazaki, Shiori; Hodak, José H; Baraldo, Luis M.; Kleiman, Valeria D. Distant ultrafast energy transfer in a trimetallic {Ru-Ru-Cr} complex facilitated by hole delocalization. Physical chemistry chemical physics : PCCP, 2017, 19, 2882-2893 |
| 7227334 | CIF | C32 H16 F6 | C 1 2/c 1 | 7.4459; 17.9293; 17.1981 90; 98.529; 90 | 2270.6 | Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907 |
| 7227335 | CIF | C26 H12 F4 | P 1 21/n 1 | 7.5783; 20.3575; 11.4292 90; 101.178; 90 | 1729.8 | Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907 |
| 7227336 | CIF | C26 H16 | P 21 21 21 | 7.3058; 12.947; 17.4452 90; 90; 90 | 1650.11 | Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907 |
| 7227337 | CIF | C26 H16 | P 21 21 21 | 7.3417; 13.1529; 17.5885 90; 90; 90 | 1698.43 | Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907 |
| 7227338 | CIF | C26 H16 | P 21 21 21 | 7.328; 13.04; 17.449 90; 90; 90 | 1667.38 | Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations. Physical chemistry chemical physics : PCCP, 2017, 19, 2900-2907 |
| 7227352 | CIF | C101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4 | P -1 | 10.166; 13.696; 17.241 104.5; 105.38; 92.03 | 2227.5 | Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540 |
| 7227353 | CIF | C64 H34 N9 Ni O2 | C 1 2/c 1 | 24.899; 12.615; 33.689 90; 98.7; 90 | 10460 | Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540 |
| 7227354 | CIF | C233 H141 Cl3 N20 Ni4 O16 | P -1 | 13.236; 16.471; 24.435 90.79; 103.49; 96.01 | 5148 | Chahal, Mandeep K.; Sankar, Muniappan; Butcher, Ray J. An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors. Physical chemistry chemical physics : PCCP, 2017, 19, 4530-4540 |
| 7227366 | CIF | C9 H9 Cl2 N3 | P 1 21/c 1 | 17.8433; 8.2767; 15.1223 90; 115.072; 90 | 2022.88 | Kolesnikova, Inna N.; Rykov, Anatolii N.; Shishkov, Igor F.; Tafeenko, Victor A.; Aslanov, Leonid A. Molecular structure of clonidine: gas-phase electron diffraction, single-crystal X-ray diffraction and quantum chemical studies. Physical chemistry chemical physics : PCCP, 2017, 19, 4618-4626 |
| 7227367 | CIF | C15 H34 Br P | P 1 21/c 1 | 18.2906; 7.9655; 12.6721 90; 93.119; 90 | 1843.51 | Gamarra, Ana; Urpí, Lourdes; Martínez de Ilarduya, Antxon; Muñoz-Guerra, Sebastián Crystalline structure and thermotropic behavior of alkyltrimethylphosphonium amphiphiles. Physical chemistry chemical physics : PCCP, 2017, 19, 4370-4382 |
| 7227385 | CIF | C30 H20 O4 | P 21 21 21 | 9.008; 15.383; 15.627 90; 90; 90 | 2165.43 | Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins. Physical chemistry chemical physics : PCCP, 2017, 19, 4758-4767 |
| 7227386 | CIF | C20 H20 O2 | P -1 | 11.798; 12.109; 12.211 95.007; 102.009; 110.256 | 1576.5 | Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins. Physical chemistry chemical physics : PCCP, 2017, 19, 4758-4767 |
| 7227387 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 15.247; 5.005; 10.4052 90; 131.936; 90 | 590.68 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227388 | CIF | C4 H2 Li2 O6 | C 1 2 1 | 15.075; 4.9857; 10.382 90; 131.84; 90 | 581.3 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227389 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.342; 4.8946; 10.487 90; 133.01; 90 | 538.3 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227390 | CIF | C4 H2 Li2 O6 | C 1 2 1 | 14.84; 4.98; 10.36 90; 131.64; 90 | 572 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227391 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.168; 4.8351; 10.715 90; 134.825; 90 | 520.6 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227392 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.095; 4.8107; 10.788 90; 135.458; 90 | 513.1 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227393 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.639; 4.9393; 10.379 90; 132.027; 90 | 557.5 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227394 | CIF | C4 H2 Li2 O6 | C 1 2 1 | 15.181; 4.9938; 10.405 90; 131.943; 90 | 586.73 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227395 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.477; 4.9154; 10.425 90; 132.46; 90 | 547.3 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227396 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.024; 4.789; 10.837 90; 135.927; 90 | 506.3 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227397 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.67; 4.946; 10.365 90; 131.97; 90 | 559.2 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227398 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.231; 4.856; 10.642 90; 134.235; 90 | 526.9 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227399 | CIF | C4 H4 Li2 O6 | C 1 2 1 | 14.126; 4.8218; 10.753 90; 135.162; 90 | 516.4 | Yeung, Hamish H.-M.; Kilmurray, Rebecca; Hobday, Claire L.; McKellar, Scott C.; Cheetham, Anthony K.; Allan, David R.; Moggach, Stephen A. Hidden negative linear compressibility in lithium l-tartrate. Physical chemistry chemical physics : PCCP, 2017, 19, 3544-3549 |
| 7227454 | CIF | C13 H15 F6 P Ru | P 21 21 21 | 8.7719; 12.685; 12.779 90; 90; 90 | 1421.9 | Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals. Physical chemistry chemical physics : PCCP, 2017, 19, 4352-4359 |
| 7227455 | CIF | C15 H11 N3 Ru | P 1 21/n 1 | 7.2375; 17.759; 20.303 90; 97.97; 90 | 2584.4 | Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals. Physical chemistry chemical physics : PCCP, 2017, 19, 4352-4359 |
| 7227481 | CIF | C83 H24 O2 | P 1 21/c 1 | 18.8302; 13.26542; 18.4305 90; 105.958; 90 | 4426.36 | Xue, Hong-Tao; Boschetto, Gabriele; Krompiec, Michal; Morse, Graham E.; Tang, Fu-Ling; Skylaris, Chris-Kriton Linear-scaling density functional simulations of the effect of crystallographic structure on the electronic and optical properties of fullerene solvates. Physical chemistry chemical physics : PCCP, 2017, 19, 5617-5628 |
| 7227530 | CIF | C49 H22 Co F15 N6 O2 | C 1 2/c 1 | 30.225; 16.6117; 31.83 90; 116.663; 90 | 14282 | Xu, Liang; Lei, Haitao; Zhang, Zongyao; Yao, Zhen; Li, Jianfeng; Yu, Zhiyong; Cao, Rui The effect of the trans axial ligand of cobalt corroles on water oxidation activity in neutral aqueous solutions. Physical chemistry chemical physics : PCCP, 2017, 19, 9755-9761 |
| 7227531 | CIF | C34 H27 F2 N O2 Pt Si | P -1 | 9.181; 9.435; 18.057 97.901; 104.26; 102.17 | 1452 | Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook Steric effect on excimer formation in planar Pt(ii) complexes. Physical chemistry chemical physics : PCCP, 2017, 19, 5486-5494 |
| 7227532 | CIF | C16 H13 F2 N O2 Pt | P 1 21/n 1 | 10.3177; 7.676; 19.0308 90; 92.402; 90 | 1505.9 | Cho, Yang-Jin; Kim, So-Yoen; Son, Ho-Jin; Cho, Dae Won; Kang, Sang Ook Steric effect on excimer formation in planar Pt(ii) complexes. Physical chemistry chemical physics : PCCP, 2017, 19, 5486-5494 |
| 7227539 | CIF | C14 H12 B F2 N O2 | P 1 21/c 1 | 15.2729; 6.9098; 23.4483 90; 91.266; 90 | 2474 | Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys Two-photon absorption of BF2-carrying compounds: insights from theory and experiment. Physical chemistry chemical physics : PCCP, 2017, 19, 5705-5708 |
| 7227540 | CIF | C15 H15 B F2 N2 O | P c a 21 | 31.155; 7.7105; 11.419 90; 90; 90 | 2743.1 | Bednarska, Joanna; Zaleśny, Robert; Wielgus, Małgorzata; Jędrzejewska, Beata; Puttreddy, Rakesh; Rissanen, Kari; Bartkowiak, Wojciech; Ågren, Hans; Ośmiałowski, Borys Two-photon absorption of BF2-carrying compounds: insights from theory and experiment. Physical chemistry chemical physics : PCCP, 2017, 19, 5705-5708 |
| 7227676 | CIF | C15 H13 Co N2 | P b c a | 8.0533; 25.607; 45.045 90; 90; 90 | 9289.2 | Reinhardt, Maxwell; Dalgleish, Simon; Shuku, Yoshiaki; Reissig, Louisa; Matsushita, Michio M.; Crain, Jason; Awaga, Kunio; Robertson, Neil Molecular and thin film properties of cobalt half-sandwich compounds for optoelectronic application. Physical chemistry chemical physics : PCCP, 2017, 19, 6768-6776 |
| 7227709 | CIF | C18 H10 N4 | P 1 21/c 1 | 8.0644; 25.5256; 7.0058 90; 108.253; 90 | 1369.57 | Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials. Physical chemistry chemical physics : PCCP, 2017, 19, 6721-6730 |
| 7227710 | CIF | C19 H12 N4 O | P 1 21/n 1 | 6.8946; 16.799; 13.329 90; 93.493; 90 | 1540.9 | Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials. Physical chemistry chemical physics : PCCP, 2017, 19, 6721-6730 |
| 7227776 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.3469; 31.3469; 31.3469 90; 90; 90 | 30802.3 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227777 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.3031; 31.3031; 31.3031 90; 90; 90 | 30673.4 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227778 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.2695; 31.2695; 31.2695 90; 90; 90 | 30575 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227779 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.238; 31.238; 31.238 90; 90; 90 | 30482 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227780 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.223; 31.223; 31.223 90; 90; 90 | 30439 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227781 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.179; 31.179; 31.179 90; 90; 90 | 30310 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227782 | CIF | C48 H82 K2 O42 | I 4 3 2 | 30.988; 30.988; 30.988 90; 90; 90 | 29756 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227783 | CIF | C48 H82 K2 O42 | I 4 3 2 | 30.968; 30.968; 30.968 90; 90; 90 | 29699 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227784 | CIF | C48 H82 K2 O42 | I 4 3 2 | 30.898; 30.898; 30.898 90; 90; 90 | 29498 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227785 | CIF | C48 H82 K2 O42 | R 3 2 | 43.6764; 43.6764; 28.1864 90; 90; 120 | 46565 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227786 | CIF | C48 H82 K2 O42 | R 3 2 :H | 43.367; 43.367; 28.09 90; 90; 120 | 45751 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227787 | CIF | C48 H82 K2 O42 | R 3 2 :H | 43.643; 43.643; 28.059 90; 90; 120 | 46284 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227788 | CIF | C48 H82 K2 O42 | R 3 2 :H | 43.26; 43.26; 28.104 90; 90; 120 | 45548 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227789 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.2093; 31.2093; 31.2093 90; 90; 90 | 30398 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227790 | CIF | C48 H82 K2 O42 | I 4 3 2 | 31.2093; 31.2093; 31.2093 90; 90; 90 | 30398.5 | Patyk-Kaźmierczak, Ewa; Warren, Mark R.; Allan, David R.; Katrusiak, Andrzej Pressure inverse solubility and polymorphism of an edible γ-cyclodextrin-based metal-organic framework. Physical chemistry chemical physics : PCCP, 2017, 19, 9086-9091 |
| 7227791 | CIF | C8 H7 N O S | P b c a | 10.0478; 10.3511; 14.6556 90; 90; 90 | 1524.27 | Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901 |
| 7227792 | CIF | C8 H6 Br N S2 | P -1 | 6.9208; 7.5423; 8.8756 85.0711; 82.0272; 89.0243 | 457.11 | Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901 |
| 7227793 | CIF | C8 H7 N S2 | P 1 21/c 1 | 7.025; 8.6002; 13.5237 90; 100.788; 90 | 802.61 | Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901 |
| 7227794 | CIF | C8 H6 I N S2 | P 1 21/n 1 | 7.3765; 18.9914; 7.7127 90; 118.059; 90 | 953.48 | Huang, Chun-Hao; Wu, Pei-Jhen; Chung, Kun-You; Chen, Yi-An; Li, Elise Y.; Chou, Pi-Tai Room-temperature phosphorescence from small organic systems containing a thiocarbonyl moiety. Physical chemistry chemical physics : PCCP, 2017, 19, 8896-8901 |
| 7228383 | CIF | C20 H27 Cl F6 Ir N4 P | P 1 21/n 1 | 9.121; 28.247; 9.246 90; 93.306; 90 | 2378.2 | Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity. Physical chemistry chemical physics : PCCP, 2017 |
| 7228384 | CIF | C80 H120 Cl16 F24 Ir4 N24 O P4 | C 1 2/c 1 | 37.887; 8.061; 20.793 90; 111.38; 90 | 5913 | Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity. Physical chemistry chemical physics : PCCP, 2017 |
| 7228385 | CIF | C21 H33 Cl3 F6 Ir N6 P | P -1 | 7.6814; 12.408; 16.186 78.662; 85.451; 72.021 | 1438.4 | Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity. Physical chemistry chemical physics : PCCP, 2017 |
| 7228925 | CIF | C13 H28 Cl4 Fe N O4 | P -1 | 9.6258; 10.1155; 12.305 109.255; 94.577; 100.77 | 1098.2 | Oba, Yukiko; Okuhata, Megumi; Osakai, Toshiyuki; Mochida, Tomoyuki Solvate and protic ionic liquids from aza-crown ethers: synthesis, thermal properties, and LCST behavior. Physical chemistry chemical physics : PCCP, 2018, 20, 3118-3127 |
| 7229495 | CIF | C46 H61 O3 P S | P 1 21/c 1 | 23.205; 9.153; 19.653 90; 99.912; 90 | 4112 | Hisamitsu, Shota; Yanai, Nobuhiro; Kouno, Hironori; Magome, Eisuke; Matsuki, Masaya; Yamada, Teppei; Monguzzi, Angelo; Kimizuka, Nobuo Two-dimensional structural ordering in a chromophoric ionic liquid for triplet energy migration-based photon upconversion. Physical chemistry chemical physics : PCCP, 2018, 20, 3233-3240 |
| 7229515 | CIF | C30 H18 N2 S3 | P 1 c 1 | 12.36487; 9.88933; 9.81295 90; 104.362; 90 | 1162.43 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229516 | CIF | C41 H34 Cl3 N3 O4 S | P -1 | 8.7193; 11.6007; 18.7861 87.754; 87.804; 78.925 | 1862.47 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229517 | CIF | C24 H26 N2 O3 S | P 1 21/c 1 | 9.1049; 8.6592; 13.7163 90; 100.773; 90 | 1062.35 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229518 | CIF | C40 H33 N3 O S4 | P 1 c 1 | 27.433; 14.3097; 8.5187 90; 93.32; 90 | 3338.47 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229519 | CIF | C24 H26 N2 O2 S2 | P 1 21/c 1 | 8.7955; 9.477; 12.8838 90; 92.537; 90 | 1072.88 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229520 | CIF | C24 H26 N2 O4 | P 1 21/n 1 | 13.41; 8.3348; 18.3351 90; 101.022; 90 | 2011.51 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229521 | CIF | C31 H19 Cl3 N2 O2 S | P b c a | 9.07634; 18.5416; 31.2516 90; 90; 90 | 5259.33 | Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. Physical chemistry chemical physics : PCCP, 2018, 20, 752-764 |
| 7229592 | CIF | C45 H38 S2 | C 1 2/c 1 | 22.8514; 12.0435; 13.7823 90; 115.769; 90 | 3415.84 | Uematsu, K.; Noguchi, K.; Nakano, K. Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton. Physical chemistry chemical physics : PCCP, 2018, 20, 3286-3295 |
| 7229593 | CIF | C30 H17 O P S2 | P 1 21/n 1 | 12.014; 9.11776; 21.2612 90; 104.426; 90 | 2255.54 | Uematsu, K.; Noguchi, K.; Nakano, K. Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton. Physical chemistry chemical physics : PCCP, 2018, 20, 3286-3295 |
| 7229594 | CIF | C26.5 H15.5 Cl1.5 N O S2 | P -1 | 12.1314; 12.3033; 14.3697 83.5273; 85.5012; 81.3505 | 2102.73 | Uematsu, K.; Noguchi, K.; Nakano, K. Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton. Physical chemistry chemical physics : PCCP, 2018, 20, 3286-3295 |
| 7229615 | CIF | C23 H19 N O3 Pt | P 1 21/c 1 | 14.133; 8.6154; 16.031 90; 94.639; 90 | 1945.6 | Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand. Physical chemistry chemical physics : PCCP, 2017, 20, 542-552 |
| 7229616 | CIF | C23 H18 F N O3 Pt | P -1 | 6.9367; 11.512; 13.017 81.915; 76.395; 72.742 | 962 | Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand. Physical chemistry chemical physics : PCCP, 2017, 20, 542-552 |
| 7229617 | CIF | C23 H17 F2 N O3 Pt | P 1 21/c 1 | 11.922; 12.312; 14.055 90; 103.866; 90 | 2002.9 | Okamura, Naoki; Maeda, Takeshi; Fujiwara, Hideki; Soman, Anjaly; Unni, K. N. Narayanan; Ajayaghosh, Ayyappanpillai; Yagi, Shigeyuki Photokinetic study on remarkable excimer phosphorescence from heteroleptic cyclometalated platinum(ii) complexes bearing a benzoylated 2-phenylpyridinate ligand. Physical chemistry chemical physics : PCCP, 2017, 20, 542-552 |
| 7229631 | CIF | C19 H12 N4 | P 1 21/c 1 | 7.0914; 12.8955; 16.1234 90; 99.027; 90 | 1456.18 | Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors. Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149 |
| 7229632 | CIF | C25 H24 N4 | P -1 | 7.917; 8.777; 16.892 92.79; 102.2; 107.3 | 1087.5 | Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors. Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149 |
| 7229633 | CIF | C21 H16 N4 | P 1 21/c 1 | 8.7842; 24.486; 8.1096 90; 110.652; 90 | 1632.2 | Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors. Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149 |
| 7229634 | CIF | C29 H32 N4 | P -1 | 7.7023; 8.911; 20.022 77.669; 84.775; 73.953 | 1289.4 | Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors. Physical chemistry chemical physics : PCCP, 2018, 20, 1142-1149 |
| 7229648 | CIF | C6 H10 O4 | P 1 21/c 1 | 7.3663; 5.1555; 10.1436 90; 112.329; 90 | 356.34 | Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi An organoferroelasticity driven by molecular conformational change. Physical chemistry chemical physics : PCCP, 2018, 20, 4631-4635 |
| 7229649 | CIF | C6 H10 O4 | P 1 21/c 1 | 7.3693; 5.1566; 10.1453 90; 112.354; 90 | 356.56 | Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi An organoferroelasticity driven by molecular conformational change. Physical chemistry chemical physics : PCCP, 2018, 20, 4631-4635 |
| 7229694 | CIF | C7 H5 N O | P b c n | 9.126; 10.606; 25.328 90; 90; 90 | 2451.5 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229695 | CIF | C7 H5 N O | P b c n | 9.147; 10.64; 25.365 90; 90; 90 | 2468.6 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229696 | CIF | C7 H5 N O | P b c n | 9.158; 10.658; 25.383 90; 90; 90 | 2477.5 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229697 | CIF | C7 H5 N O | P b c n | 9.116; 10.59; 25.311 90; 90; 90 | 2443.5 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229698 | CIF | C7 H5 N O | P b c n | 9.203; 10.737; 25.458 90; 90; 90 | 2515.6 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229699 | CIF | C7 H5 N O | P b c n | 9.107; 10.575; 25.296 90; 90; 90 | 2436.2 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229700 | CIF | C7 H5 N O | P b c n | 9.136; 10.622; 25.346 90; 90; 90 | 2459.6 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229701 | CIF | C7 H5 N O | P b c n | 9.179; 10.697; 25.42 90; 90; 90 | 2495.9 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229702 | CIF | C7 H5 N O | P b c n | 9.168; 10.677; 25.402 90; 90; 90 | 2486.5 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229703 | CIF | C7 H5 N O | P b c n | 9.191; 10.716; 25.44 90; 90; 90 | 2505.6 | Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 1984-1992 |
| 7229705 | CIF | C48 H44 N2 O4 | P 1 21/n 1 | 9.8398; 18.2197; 10.8932 90; 100.468; 90 | 1920.41 | Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells. Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260 |
| 7229706 | CIF | C52 H52 N2 O4 | P 1 21/n 1 | 12.051; 10.2594; 17.3214 90; 103.75; 90 | 2080.18 | Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells. Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260 |
| 7229707 | CIF | C56 H60 N2 O4 | P 1 21/c 1 | 11.82431; 13.11889; 14.97854 90; 93.5009; 90 | 2319.16 | Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells. Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260 |
| 7229708 | CIF | C52 H52 N2 O4 | P -1 | 12.4603; 14.8711; 24.3863 100.569; 90.6323; 94.7035 | 4425.55 | Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells. Physical chemistry chemical physics : PCCP, 2018, 20, 1252-1260 |
| 7229754 | CIF | C34 H29 N3 O3 | P 1 21/n 1 | 14.0571; 13.268; 15.3305 90; 104.964; 90 | 2762.32 | Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate. Physical chemistry chemical physics : PCCP, 2018, 20, 6060-6072 |
| 7229755 | CIF | C34 H29 N3 O2 | P -1 | 9.8322; 11.6973; 12.975 113.245; 93.22; 93.119 | 1364.18 | Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate. Physical chemistry chemical physics : PCCP, 2018, 20, 6060-6072 |
| 7229765 | CIF | C34 H24 Eu N9 O9 | C 1 2/c 1 | 12.5871; 15.7676; 17.0644 90; 102.021; 90 | 3312.48 | Polzin, P.; V Eliani, I; Ströh, J; Braun, M.; Ruser, N.; Heidenreich, N.; Rönfeldt, P; Bertram, F.; Näther, C; Wöhlbrandt, S; Suta, M.; Terraschke, H. From ligand exchange to reaction intermediates: what does really happen during the synthesis of emissive complexes? Physical chemistry chemical physics : PCCP, 2018, 20, 7428-7437 |
| 7229847 | CIF | C32 H32 N2 O4 S4 | P -1 | 4.914; 5.655; 28.95 87.035; 84.31; 85.513 | 797.3 | Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L. A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes. Physical chemistry chemical physics : PCCP, 2018, 20, 3630-3636 |
| 7229848 | CIF | C36 H40 N2 O4 S4 | P -1 | 5.406; 5.135; 32.36 101.877; 91.55; 94.423 | 875.6 | Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L. A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes. Physical chemistry chemical physics : PCCP, 2018, 20, 3630-3636 |
| 7229891 | CIF | C40 H24 | P 1 21/n 1 | 12.6331; 15.3655; 14.1392 90; 95.557; 90 | 2731.7 | Singh, Anuja; Pati, Avik Kumar; Mishra, Ashok Kumar Photophysics and peripheral ring size dependent aggregate emission of cross-conjugated enediynes: applications to white light emission and vapor sensing. Physical chemistry chemical physics : PCCP, 2018, 20, 4167-4180 |
| 7229949 | CIF | C11 H9 N3 O | P 1 21/n 1 | 5.7147; 8.3019; 20.1261 90; 94.12; 90 | 952.37 | Böhnke, Hendrik; Bahrenburg, Julia; Ma, Xiaonan; Röttger, Katharina; Näther, Christian; Rode, Michał F; Sobolewski, Andrzej L.; Temps, Friedrich Ultrafast dynamics of the ESIPT photoswitch N-(3-pyridinyl)-2-pyridinecarboxamide. Physical chemistry chemical physics : PCCP, 2018, 20, 2646-2655 |
| 7230005 | CIF | Co4 H52 K10 O94 V2 W18 | P 1 21/n 1 | 12.3089; 21.3544; 15.6623 90; 92.315; 90 | 4113.46 | Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F. Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering. Physical chemistry chemical physics : PCCP, 2018, 20, 4554-4562 |
| 7230006 | CIF | Co4 H20 Na10 O108 P2 W18 | P -1 | 11.4798; 13.277; 18.2209 71.135; 73.672; 73.251 | 2461.78 | Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F. Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering. Physical chemistry chemical physics : PCCP, 2018, 20, 4554-4562 |
| 7230040 | CIF | C7 H4 N2 O2 Se | P 1 21/c 1 | 7.9873; 7.9532; 12.6983 90; 90.639; 90 | 806.6 | Wang, Hui; Liu, Ju; Wang, Weizhou Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals. Physical chemistry chemical physics : PCCP, 2018, 20, 5227-5234 |
| 7230041 | CIF | C7 H4 N2 O2 Se | P 1 21 1 | 3.9678; 6.9334; 14.5948 90; 94.469; 90 | 400.29 | Wang, Hui; Liu, Ju; Wang, Weizhou Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals. Physical chemistry chemical physics : PCCP, 2018, 20, 5227-5234 |
| 7230042 | CIF | C7 H4 N2 O2 Se | P 1 21 1 | 3.9951; 6.9821; 14.3544 90; 91.94; 90 | 400.17 | Wang, Hui; Liu, Ju; Wang, Weizhou Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals. Physical chemistry chemical physics : PCCP, 2018, 20, 5227-5234 |
| 7230076 | CIF | C8 H8 | R -3 m :H | 8.1945; 8.1945; 8.0541 90; 90; 120 | 468.37 | Ward, Matthew D.; Huang, Haw-Tyng; Zhu, Li; Biswas, Arani; Popov, Dmitry; Badding, John V.; Strobel, Timothy A. Chemistry through cocrystals: pressure-induced polymerization of C<sub>2</sub>H<sub>2</sub>·C<sub>6</sub>H<sub>6</sub> to an extended crystalline hydrocarbon. Physical chemistry chemical physics : PCCP, 2018, 20, 7282-7294 |
| 7230130 | CIF | C26 H21 B F2 N2 | C 1 2/c 1 | 13.246; 12.7829; 12.8418 90; 114.67; 90 | 1975.94 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230131 | CIF | C26 H20 B Cl3 F2 N2 | P 1 2/c 1 | 14.2315; 11.3053; 15.4276 90; 93.737; 90 | 2476.9 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230132 | CIF | C63 H58 B2 F4 N4 | P -1 | 8.568; 9.7581; 15.2034 101.961; 91.811; 99.856 | 1222.2 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230133 | CIF | C37 H27 B F2 N2 | P -1 | 10.3605; 13.301; 21.611 76.897; 82.836; 73.801 | 2779.4 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230134 | CIF | C24 H17 B F2 N2 | P 1 21/n 1 | 14.2177; 13.2738; 19.7784 90; 95.067; 90 | 3718.1 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230135 | CIF | C31 H23 B F2 N2 | P -1 | 8.9484; 9.6443; 17.849 87.62; 77.07; 68.24 | 1392.9 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230136 | CIF | C32 H33 B F2 N2 | P 1 21/c 1 | 15.836; 20.573; 7.781 90; 101.878; 90 | 2480.7 | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. Physical chemistry chemical physics : PCCP, 2018, 20, 8016-8031 |
| 7230191 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0055; 10.6493; 10.2948 90; 100.172; 90 | 432.23 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230192 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0549; 11.078; 9.8719 90; 100.585; 90 | 435.9 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230193 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0172; 10.6917; 10.2615 90; 100.175; 90 | 433.81 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230194 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0686; 11.1298; 9.8431 90; 100.64; 90 | 438.06 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230195 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0233; 10.7193; 10.2355 90; 100.184; 90 | 434.47 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230196 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0618; 11.1039; 9.8533 90; 100.618; 90 | 436.79 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230197 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0723; 11.1474; 9.8296 90; 100.671; 90 | 438.5 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230198 | CIF | C6 H2 Br4 | P 1 21/n 1 | 4.0108; 10.6672; 10.2811 90; 100.168; 90 | 432.96 | Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V. Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene. Physical chemistry chemical physics : PCCP, 2018, 20, 8523-8532 |
| 7230343 | CIF | C23 H13 Br O | P 1 21/c 1 | 9.7948; 21.5595; 7.9044 90; 104.573; 90 | 1615.48 | Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives. Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929 |
| 7230344 | CIF | C23 H13 I O | P 1 21/c 1 | 9.8713; 21.9189; 8.0295 90; 105.165; 90 | 1676.83 | Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives. Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929 |
| 7230345 | CIF | C23 H13 Br O | P -1 | 7.905; 9.5802; 10.62 94.977; 101.008; 93.532 | 783.98 | Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives. Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929 |
| 7230346 | CIF | C23 H9 F5 O | P 21 21 21 | 7.9511; 8.4125; 24.0545 90; 90; 90 | 1609 | Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives. Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929 |
| 7230347 | CIF | C29 H18 O | P 21 21 21 | 5.2858; 8.206; 42.862 90; 90; 90 | 1859.2 | Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives. Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929 |
| 7230348 | CIF | C23 H14 O | P -1 | 8.6959; 8.9304; 11.2041 69.755; 80.944; 69.789 | 765.36 | Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives. Physical chemistry chemical physics : PCCP, 2018, 20, 9922-9929 |
| 7230381 | CIF | C26 H24 Cl Fe2 N4 Ni0.5 | C 1 2/c 1 | 23.97; 10.6828; 19.264 90; 111.342; 90 | 4594.6 | Peck, M. A.; Hearne, G. R.; Obuah, C.; Darkwa, J. Electron-density distributions in selected ferrocenyl-pyrazolyl late transition-metal complexes. Physical chemistry chemical physics : PCCP, 2018, 20, 11682-11691 |
| 7230391 | CIF | C40 H35 Cl4 N4 O3 | I 1 2/a 1 | 16.901; 9.2057; 47.963 90; 91.149; 90 | 7461 | Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E. Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities. Physical chemistry chemical physics : PCCP, 2018, 20, 11196-11205 |
| 7230392 | CIF | C15 H17 I N O3 | P -1 | 9.0407; 9.359; 10.191 105.821; 94.648; 105.915 | 786.4 | Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E. Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities. Physical chemistry chemical physics : PCCP, 2018, 20, 11196-11205 |
| 7230466 | CIF | C125 H53 Dy N5 Ni Sc2 | C 1 2/c 1 | 25.19; 15.05; 39.49 90; 95.46; 90 | 14903 | Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A. Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence. Physical chemistry chemical physics : PCCP, 2018, 20, 11656-11672 |
| 7230467 | CIF | C129.29 H58.28 Dy N5 Ni Sc2 | P -1 | 14.57; 14.68; 20.28 83.73; 84.16; 60.6 | 3750.6 | Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A. Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence. Physical chemistry chemical physics : PCCP, 2018, 20, 11656-11672 |
| 7230483 | CIF | C36 H32 N2 | P b c n | 38.7879; 8.0972; 8.3462 90; 90; 90 | 2621.32 | Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships. Physical chemistry chemical physics : PCCP, 2018, 20, 11867-11875 |
| 7230484 | CIF | C36 H26 N4 | P -1 | 9.3712; 12.2475; 12.7385 92.853; 102.427; 111.744 | 1312.62 | Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships. Physical chemistry chemical physics : PCCP, 2018, 20, 11867-11875 |
| 7230569 | CIF | C24 H53 Br3 Cu N2 O2 | P 1 21/n 1 | 7.5437; 44.0092; 9.3422 90; 91.326; 90 | 3100.7 | Zhiltsova, Elena P.; Pashirova, Tatiana N.; Ibatullina, Marina R.; Lukashenko, Svetlana S.; Gubaidullin, Aidar T.; Islamov, Daut R.; Kataeva, Olga N.; Kutyreva, Marianna P.; Zakharova, Lucia Y. A new surfactant-copper(ii) complex based on 1,4-diazabicyclo[2.2.2]octane amphiphile. Crystal structure determination, self-assembly and functional activity. Physical chemistry chemical physics : PCCP, 2018, 20, 12688-12699 |
| 7230583 | CIF | C31 H29 N | P 21 21 21 | 9.5324; 14.9752; 16.6507 90; 90; 90 | 2376.9 | Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru Pressure-induced emission band separation of the hybridized local and charge transfer excited state in a TPE-based crystal. Physical chemistry chemical physics : PCCP, 2018, 20, 13249-13254 |
| 7230596 | CIF | C18 H20 Cl N3 O7 S | P -1 | 9.6276; 10.1883; 11.0539 90.533; 100.803; 105.94 | 1021.97 | Surov, Artem O.; Churakov, Andrei V.; Proshin, Alexey N.; Dai, Xia-Lin; Lu, Tongbu; Perlovich, German L. Cocrystals of a 1,2,4-thiadiazole-based potent neuroprotector with gallic acid: solubility, thermodynamic stability relationships and formation pathways. Physical chemistry chemical physics : PCCP, 2018, 20, 14469-14481 |
| 7230632 | CIF | C19 H24 N2 O2 | P 1 21/n 1 | 6.7785; 9.8025; 25.4462 90; 94.7017; 90 | 1685.11 | Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups. Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044 |
| 7230633 | CIF | C18 H22 N2 O2 | P 1 21/c 1 | 5.1353; 10.3387; 29.0552 90; 92.523; 90 | 1541.11 | Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups. Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044 |
| 7230634 | CIF | C19 H24 N2 O2 | P -1 | 5.26649; 10.6373; 15.2944 72.6185; 89.9112; 83.0728 | 811.18 | Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups. Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044 |
| 7230635 | CIF | C18 H22 N2 O2 | P 1 21/c 1 | 10.7455; 26.6113; 10.8489 90; 99.08; 90 | 3063.4 | Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups. Physical chemistry chemical physics : PCCP, 2018, 20, 16033-16044 |
| 7230818 | CIF | C14 H13 F N2 O S | P b c a | 9.54533; 14.9685; 17.9615 90; 90; 90 | 2566.33 | Hughes, Eleri; Griffin, John M.; Coogan, Michael P.; Middleton, David A. Average orientation of a fluoroaromatic molecule in lipid bilayers from DFT-informed NMR measurements of <sup>1</sup>H-<sup>19</sup>F dipolar couplings. Physical chemistry chemical physics : PCCP, 2018, 20, 18207-18215 |
| 7230848 | CIF | C42 H51 N3 | P -1 | 8.411; 15.202; 26.348 86.9; 89.438; 84.427 | 3348 | Reig, Marta; Bagdziunas, Gintautas; Ramanavicius, Arunas; Puigdollers, Joaquim; Velasco, Dolores Interface engineering and solid-state organization for triindole-based p-type organic thin-film transistors. Physical chemistry chemical physics : PCCP, 2018, 20, 17889-17898 |
| 7230888 | CIF | C36 H43 Cu3 N7 O8 | P -1 | 11.417; 12.317; 15.889 73.446; 79.252; 65.891 | 1948.6 | Mathivathanan, Logesh; Boudalis, Athanassios K.; Turek, Philippe; Pissas, Michael; Sanakis, Yiannis; Raptis, Raphael G. Interactions between H-bonded [Cu(μ<sub>3</sub>-OH)] triangles; a combined magnetic susceptibility and EPR study. Physical chemistry chemical physics : PCCP, 2018, 20, 17234-17244 |
| 7230907 | CIF | C23 H14 O | P -1 | 8.0024; 9.6519; 10.0837 102.814; 96.576; 91.473 | 753.4 | Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation. Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128 |
| 7230908 | CIF | C21 H14 O | P 1 21 1 | 8.3434; 6.0678; 14.7523 90; 103.178; 90 | 727.18 | Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation. Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128 |
| 7230909 | CIF | C17 H12 O | P 21 21 21 | 6.215; 12.803; 15.398 90; 90; 90 | 1225.2 | Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation. Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128 |
| 7230910 | CIF | C29 H18 O | P 1 21/c 1 | 6.635; 15.315; 19.049 90; 98.654; 90 | 1913.6 | Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation. Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128 |
| 7230911 | CIF | C25 H16 O | P c a 21 | 25.998; 8.5054; 7.748 90; 90; 90 | 1713.3 | Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation. Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128 |
| 7230912 | CIF | C21 H14 O | P 1 21/n 1 | 14.081; 7.291; 15.214 90; 106.982; 90 | 1493.8 | Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation. Physical chemistry chemical physics : PCCP, 2018, 20, 19120-19128 |
| 7231074 | CIF | C128 H168 N15 O17 P S | C 1 2/c 1 | 28.4389; 15.9129; 56.0834 90; 91.1396; 90 | 25375.3 | Marques, Igor; Costa, Pedro M. R.; Q Miranda, Margarida; Busschaert, Nathalie; Howe, Ethan N. W.; Clarke, Harriet J.; Haynes, Cally J. E.; Kirby, Isabelle L.; Rodilla, Ananda M.; Pérez-Tomás, Ricardo; Gale, Philip A.; Félix, Vítor Full elucidation of the transmembrane anion transport mechanism of squaramides using in silico investigations. Physical chemistry chemical physics : PCCP, 2018, 20, 20796-20811 |
| 7231075 | CIF | C30 H30 N4 O6 S2 | P -1 | 9.638; 10.144; 15.997 102.159; 95.626; 101.283 | 1483.5 | Marques, Igor; Costa, Pedro M. R.; Q Miranda, Margarida; Busschaert, Nathalie; Howe, Ethan N. W.; Clarke, Harriet J.; Haynes, Cally J. E.; Kirby, Isabelle L.; Rodilla, Ananda M.; Pérez-Tomás, Ricardo; Gale, Philip A.; Félix, Vítor Full elucidation of the transmembrane anion transport mechanism of squaramides using in silico investigations. Physical chemistry chemical physics : PCCP, 2018, 20, 20796-20811 |
| 7231076 | CIF | C39 H24 Cl2 F16 Ir N6 P | P -1 | 11.9028; 12.4757; 14.8516 84.354; 77.044; 75.399 | 2077.79 | Soulsby, Lachlan C.; Hayne, David J.; Doeven, Egan H.; Wilson, David J. D.; Agugiaro, Johnny; Connell, Timothy U.; Chen, Lifen; Hogan, Conor F.; Kerr, Emily; Adcock, Jacqui L.; Donnelly, Paul S.; White, Jonathan M.; Francis, Paul S. Mixed annihilation electrogenerated chemiluminescence of iridium(iii) complexes. Physical chemistry chemical physics : PCCP, 2018, 20, 18995-19006 |
| 7231317 | CIF | C13 H29 Br I3 N | P 1 n 1 | 8.7748; 8.9163; 13.3043 90; 98.065; 90 | 1030.62 | Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V. Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions. Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007 |
| 7231318 | CIF | C13 H29 Cl I3 N | P 1 n 1 | 8.7174; 8.8068; 13.2169 90; 97.763; 90 | 1005.39 | Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V. Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions. Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007 |
| 7231319 | CIF | C17 H37 I4 N | P b c a | 15.9191; 17.5775; 17.8152 90; 90; 90 | 4985 | Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V. Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions. Physical chemistry chemical physics : PCCP, 2018, 20, 21999-22007 |
| 7231349 | CIF | C14 H12 N2 O2 | P 1 21/n 1 | 8.5166; 6.3092; 11.828 90; 107.898; 90 | 604.8 | Dixit, Manish Kumar; Dubey, Mrigendra Li<sup>+</sup>-Induced fluorescent metallogel: a case of ESIPT-CHEF and ICT phenomenon. Physical chemistry chemical physics : PCCP, 2018, 20, 23762-23772 |
| 7231350 | CIF | C9 H5 I N2 O2 | P -1 | 7.6101; 8.0298; 8.5371 81.12; 65.955; 73.612 | 456.6 | Vinueza, Nelson R.; Jankiewicz, Bartłomiej J; Gallardo, Vanessa A.; Nash, John J.; Kenttämaa, Hilkka I Effects of hydrogen bonding on the gas-phase reactivity of didehydroisoquinolinium cation isomers. Physical chemistry chemical physics : PCCP, 2018, 20, 21567-21572 |
| 7231364 | CIF | C6 H14 Cr N2 Na O12 | R -3 :H | 7.9386; 7.9386; 21.494 90; 90; 120 | 1173.1 | Ptak, Maciej; Stefańska, Dagmara; Gągor, Anna; Svane, Katrine L.; Walsh, Aron; Paraguassu, Waldeci Heterometallic perovskite-type metal-organic framework with an ammonium cation: structure, phonons, and optical response of [NH<sub>4</sub>]Na<sub>0.5</sub>Cr<sub>x</sub>Al<sub>0.5-x</sub>(HCOO)<sub>3</sub> (x = 0, 0.025 and 0.5). Physical chemistry chemical physics : PCCP, 2018, 20, 22284-22295 |
| 7231402 | CIF | C3 H7 Mn N O6 | P 63 2 2 | 7.3678; 7.3678; 8.4912 90; 90; 120 | 399.19 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231403 | CIF | C3 H7 Mn N O6 | P 63 2 2 | 7.32804; 7.32804; 8.4964 90; 90; 120 | 395.131 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231404 | CIF | C3 H7 Mn N O6 | P 63 2 2 | 7.33778; 7.33778; 8.4822 90; 90; 120 | 395.52 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231405 | CIF | C6 H14 Mn2 N2 O12 | P 1 21 1 | 6.714; 7.119; 14.031 90; 89.99; 90 | 670.6 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231406 | CIF | C3 H7 Mn N O6 | P 1 21 1 | 6.64; 8.4889; 7.422 90; 116.45; 90 | 374.6 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231407 | CIF | C6 H14 Mn2 N2 O12 | P 1 21 1 | 6.68; 7.097; 13.944 90; 89.98; 90 | 661.1 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231408 | CIF | C3 H7 Mn N O6 | P 1 21 1 | 6.443; 8.496; 7.372 90; 115.64; 90 | 363.8 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
| 7231409 | CIF | C3 H7 N Ni O6 | P 1 21 1 | 6.47; 8.0553; 7.263 90; 116.33; 90 | 339.26 | Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia Pressure dependence of spin canting in ammonium metal formate antiferromagnets. Physical chemistry chemical physics : PCCP, 2018, 20, 24465-24476 |
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