Crystallography Open Database

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7226957 CIFC15 H16 N2 O4P 1 21/n 18.754; 13.5346; 11.9125
90; 96.941; 90
1401.07Stock, 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 CIFC13 H8 Br2 N2 O3P -18.5277; 10.575; 15.1816
93.258; 101.706; 92.719
1336Stock, 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 CIFC26 H19 N O3P 1 21/c 111.8923; 12.959; 12.7118
90; 97.638; 90
1941.66Stock, 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 CIFC13 H10 Cl2 N2 O4P 1 21/n 18.7179; 13.577; 11.6351
90; 96.555; 90
1368.16Stock, 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 CIFC15 H13 N3 O5P -16.6932; 7.6756; 15.1649
86.795; 85.596; 68.438
722.1Stock, 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 CIFC7 H3 Cl F2 OP 1 21/c 13.7798; 18.113; 10.051
90; 95.479; 90
684.98Dey, 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 CIFC7 H2 Cl F3 OP 1 21/c 113.4138; 5.1617; 20.5882
90; 97.546; 90
1413.14Dey, 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 CIFC7 H4 Cl F OP 1 21/n 13.8275; 10.9838; 16.3303
90; 95.919; 90
682.87Dey, 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 CIFC47.5 H37.5 Cl4.5 N2 O6P 1 21 19.374; 35.9; 12.405
90; 93.387; 90
4167Tanioka, 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 CIFC3 H8 Fe N2 O6P n a 218.811; 7.782; 11.657
90; 90; 90
799.3Mączka, 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 CIFC3 H8 Fe N2 O6P n m a8.736; 11.763; 7.871
90; 90; 90
808.8Mączka, 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 CIFC3 H8 Fe N2 O6P 637.946; 7.946; 7.618
90; 90; 120
416.6Mączka, 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 CIFC3 H8 Mn N2 O6P 637.988; 7.988; 7.807
90; 90; 120
431.4Mączka, 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 CIFC13 H23 Br2 N7 O4 ZnP 1 21/c 111.1965; 13.5143; 12.9627
90; 95.488; 90
1952.43Mączka, 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 CIFC13 H23 Br2 Cl2 N7 O4 Zn2P -17.5332; 11.2812; 15.5208
101.693; 98.883; 105.224
1215.85Mączka, 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 CIFC12 H32 Mn4 N8 O24P 1 21 116.137; 7.605; 16.14
90; 119.984; 90
1715.6Mączka, 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 CIFC47 H40 F6 O3 P2 PdP 1 21/n 117.5019; 9.8634; 25.5915
90; 108.725; 90
4184Zhang, 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 CIFC4 H4 Mn O6C 1 2/c 113.4976; 7.1793; 7.8799
90; 123.405; 90
637.44Hendon, 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 CIFC10 H F11 N2P 21 21 215.1207; 9.1029; 24.816
90; 90; 90
1156.75Quesada-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 CIFC9 H F9 N2P 3212.4065; 12.4065; 5.5725
90; 90; 120
742.81Quesada-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 CIFC9 H F9 N2P 3212.3863; 12.3863; 5.5727
90; 90; 120
740.42Quesada-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 CIFC25 H23 N O3P 1 21/c 116.3324; 7.7981; 15.33
90; 101.178; 90
1915.4Panchenko, 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 CIFC26 H25 N O4P 1 21/n 112.6799; 9.0474; 18.899
90; 103.126; 90
2111.4Panchenko, 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 CIFC26 H26 N2 O2P -17.466; 13.752; 20.182
82.47; 84.186; 89.182
2043.7Panchenko, 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 CIFC8 H20 B0.504 F4.992 N P0.496I -49.324; 9.324; 7.1369
90; 90; 90
620.5Matsumoto, 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 CIFC18 H18 N4 O2P 1 21/c 15.8457; 13.5935; 9.8497
90; 98.476; 90
774.14Leblanc, 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 CIFC20 H22 N4 O2P c a b10.2451; 11.074; 15.3632
90; 90; 90
1743Leblanc, 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 CIFC26 H34 N4 O4P 1 21/a 18.6751; 11.2503; 13.3424
90; 94.681; 90
1297.84Leblanc, 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 CIFC22 H26 N4 O2P 1 21/a 18.829; 11.313; 10.403
90; 107.834; 90
989.1Leblanc, 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 CIFC26 H18 Co N4 O2 S2P 21 21 216.7549; 11.0133; 32.2549
90; 90; 90
2399.56Rams, 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 CIFC16 H14 Co N4 S2P -19.105; 10.7073; 11.0049
115.112; 93.167; 110.952
879.62Rams, 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 CIFC54 H45 Cr N16 O8 Ru2 SP 1 21 112.3182; 22.004; 13.2118
90; 109.093; 90
3384.1Cadranel, 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 CIFC47 H43 Cl F12 N10 O P2 Ru2P 1 21/c 113.779; 18.119; 22.414
90; 92.599; 90
5590Cadranel, 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 CIFC32 H16 F6C 1 2/c 17.4459; 17.9293; 17.1981
90; 98.529; 90
2270.6Dračínský, 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 CIFC26 H12 F4P 1 21/n 17.5783; 20.3575; 11.4292
90; 101.178; 90
1729.8Dračínský, 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 CIFC26 H16P 21 21 217.3058; 12.947; 17.4452
90; 90; 90
1650.11Dračínský, 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 CIFC26 H16P 21 21 217.3417; 13.1529; 17.5885
90; 90; 90
1698.43Dračínský, 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 CIFC26 H16P 21 21 217.328; 13.04; 17.449
90; 90; 90
1667.38Dračínský, 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 CIFC101.5 H61.5 Br4 Cl4.5 Cu2 N10 O4P -110.166; 13.696; 17.241
104.5; 105.38; 92.03
2227.5Chahal, 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 CIFC64 H34 N9 Ni O2C 1 2/c 124.899; 12.615; 33.689
90; 98.7; 90
10460Chahal, 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 CIFC233 H141 Cl3 N20 Ni4 O16P -113.236; 16.471; 24.435
90.79; 103.49; 96.01
5148Chahal, 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 CIFC9 H9 Cl2 N3P 1 21/c 117.8433; 8.2767; 15.1223
90; 115.072; 90
2022.88Kolesnikova, 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 CIFC15 H34 Br PP 1 21/c 118.2906; 7.9655; 12.6721
90; 93.119; 90
1843.51Gamarra, 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 CIFC30 H20 O4P 21 21 219.008; 15.383; 15.627
90; 90; 90
2165.43Mukhopadhyay, 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 CIFC20 H20 O2P -111.798; 12.109; 12.211
95.007; 102.009; 110.256
1576.5Mukhopadhyay, 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 CIFC4 H4 Li2 O6C 1 2 115.247; 5.005; 10.4052
90; 131.936; 90
590.68Yeung, 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 CIFC4 H2 Li2 O6C 1 2 115.075; 4.9857; 10.382
90; 131.84; 90
581.3Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.342; 4.8946; 10.487
90; 133.01; 90
538.3Yeung, 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 CIFC4 H2 Li2 O6C 1 2 114.84; 4.98; 10.36
90; 131.64; 90
572Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.168; 4.8351; 10.715
90; 134.825; 90
520.6Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.095; 4.8107; 10.788
90; 135.458; 90
513.1Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.639; 4.9393; 10.379
90; 132.027; 90
557.5Yeung, 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 CIFC4 H2 Li2 O6C 1 2 115.181; 4.9938; 10.405
90; 131.943; 90
586.73Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.477; 4.9154; 10.425
90; 132.46; 90
547.3Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.024; 4.789; 10.837
90; 135.927; 90
506.3Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.67; 4.946; 10.365
90; 131.97; 90
559.2Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.231; 4.856; 10.642
90; 134.235; 90
526.9Yeung, 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 CIFC4 H4 Li2 O6C 1 2 114.126; 4.8218; 10.753
90; 135.162; 90
516.4Yeung, 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 CIFC13 H15 F6 P RuP 21 21 218.7719; 12.685; 12.779
90; 90; 90
1421.9Tominaga, 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 CIFC15 H11 N3 RuP 1 21/n 17.2375; 17.759; 20.303
90; 97.97; 90
2584.4Tominaga, 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 CIFC83 H24 O2P 1 21/c 118.8302; 13.26542; 18.4305
90; 105.958; 90
4426.36Xue, 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 CIFC49 H22 Co F15 N6 O2C 1 2/c 130.225; 16.6117; 31.83
90; 116.663; 90
14282Xu, 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 CIFC34 H27 F2 N O2 Pt SiP -19.181; 9.435; 18.057
97.901; 104.26; 102.17
1452Cho, 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 CIFC16 H13 F2 N O2 PtP 1 21/n 110.3177; 7.676; 19.0308
90; 92.402; 90
1505.9Cho, 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 CIFC14 H12 B F2 N O2P 1 21/c 115.2729; 6.9098; 23.4483
90; 91.266; 90
2474Bednarska, 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 CIFC15 H15 B F2 N2 OP c a 2131.155; 7.7105; 11.419
90; 90; 90
2743.1Bednarska, 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 CIFC15 H13 Co N2P b c a8.0533; 25.607; 45.045
90; 90; 90
9289.2Reinhardt, 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 CIFC18 H10 N4P 1 21/c 18.0644; 25.5256; 7.0058
90; 108.253; 90
1369.57Reig, 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 CIFC19 H12 N4 OP 1 21/n 16.8946; 16.799; 13.329
90; 93.493; 90
1540.9Reig, 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 CIFC48 H82 K2 O42I 4 3 231.3469; 31.3469; 31.3469
90; 90; 90
30802.3Patyk-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 CIFC48 H82 K2 O42I 4 3 231.3031; 31.3031; 31.3031
90; 90; 90
30673.4Patyk-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 CIFC48 H82 K2 O42I 4 3 231.2695; 31.2695; 31.2695
90; 90; 90
30575Patyk-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 CIFC48 H82 K2 O42I 4 3 231.238; 31.238; 31.238
90; 90; 90
30482Patyk-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 CIFC48 H82 K2 O42I 4 3 231.223; 31.223; 31.223
90; 90; 90
30439Patyk-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 CIFC48 H82 K2 O42I 4 3 231.179; 31.179; 31.179
90; 90; 90
30310Patyk-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 CIFC48 H82 K2 O42I 4 3 230.988; 30.988; 30.988
90; 90; 90
29756Patyk-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 CIFC48 H82 K2 O42I 4 3 230.968; 30.968; 30.968
90; 90; 90
29699Patyk-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 CIFC48 H82 K2 O42I 4 3 230.898; 30.898; 30.898
90; 90; 90
29498Patyk-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 CIFC48 H82 K2 O42R 3 243.6764; 43.6764; 28.1864
90; 90; 120
46565Patyk-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 CIFC48 H82 K2 O42R 3 2 :H43.367; 43.367; 28.09
90; 90; 120
45751Patyk-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 CIFC48 H82 K2 O42R 3 2 :H43.643; 43.643; 28.059
90; 90; 120
46284Patyk-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 CIFC48 H82 K2 O42R 3 2 :H43.26; 43.26; 28.104
90; 90; 120
45548Patyk-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 CIFC48 H82 K2 O42I 4 3 231.2093; 31.2093; 31.2093
90; 90; 90
30398Patyk-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 CIFC48 H82 K2 O42I 4 3 231.2093; 31.2093; 31.2093
90; 90; 90
30398.5Patyk-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 CIFC8 H7 N O SP b c a10.0478; 10.3511; 14.6556
90; 90; 90
1524.27Huang, 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 CIFC8 H6 Br N S2P -16.9208; 7.5423; 8.8756
85.0711; 82.0272; 89.0243
457.11Huang, 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 CIFC8 H7 N S2P 1 21/c 17.025; 8.6002; 13.5237
90; 100.788; 90
802.61Huang, 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 CIFC8 H6 I N S2P 1 21/n 17.3765; 18.9914; 7.7127
90; 118.059; 90
953.48Huang, 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 CIFC20 H27 Cl F6 Ir N4 PP 1 21/n 19.121; 28.247; 9.246
90; 93.306; 90
2378.2Zhao, 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 CIFC80 H120 Cl16 F24 Ir4 N24 O P4C 1 2/c 137.887; 8.061; 20.793
90; 111.38; 90
5913Zhao, 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 CIFC21 H33 Cl3 F6 Ir N6 PP -17.6814; 12.408; 16.186
78.662; 85.451; 72.021
1438.4Zhao, 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 CIFC13 H28 Cl4 Fe N O4P -19.6258; 10.1155; 12.305
109.255; 94.577; 100.77
1098.2Oba, 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 CIFC46 H61 O3 P SP 1 21/c 123.205; 9.153; 19.653
90; 99.912; 90
4112Hisamitsu, 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 CIFC30 H18 N2 S3P 1 c 112.36487; 9.88933; 9.81295
90; 104.362; 90
1162.43Pearce, 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 CIFC41 H34 Cl3 N3 O4 SP -18.7193; 11.6007; 18.7861
87.754; 87.804; 78.925
1862.47Pearce, 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 CIFC24 H26 N2 O3 SP 1 21/c 19.1049; 8.6592; 13.7163
90; 100.773; 90
1062.35Pearce, 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 CIFC40 H33 N3 O S4P 1 c 127.433; 14.3097; 8.5187
90; 93.32; 90
3338.47Pearce, 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 CIFC24 H26 N2 O2 S2P 1 21/c 18.7955; 9.477; 12.8838
90; 92.537; 90
1072.88Pearce, 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 CIFC24 H26 N2 O4P 1 21/n 113.41; 8.3348; 18.3351
90; 101.022; 90
2011.51Pearce, 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 CIFC31 H19 Cl3 N2 O2 SP b c a9.07634; 18.5416; 31.2516
90; 90; 90
5259.33Pearce, 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

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