Crystallography Open Database
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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 18
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7226487 | CIF | C22 H17 N O4 | P -1 | 7.3977; 11.6656; 20.3981 76.247; 83.564; 88.301 | 1699.07 | Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K. Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores. Physical chemistry chemical physics : PCCP, 2016, 18, 27671-27683 |
7226488 | CIF | C21 H17 N O2 | P 1 21/c 1 | 20.7631; 3.953; 18.9724 90; 99.996; 90 | 1533.55 | Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K. Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores. Physical chemistry chemical physics : PCCP, 2016, 18, 27671-27683 |
7226542 | CIF | C34 H24 Eu F12 N O8 S4 | P -1 | 10.0179; 12.2989; 17.6698 100.592; 95.431; 102.457 | 2069.1 | Yi, Sijing; Yao, Meihuan; Wang, Jiao; Chen, Xiao Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cation. Physical chemistry chemical physics : PCCP, 2016, 18, 27603-27612 |
7226665 | CIF | C14 H12 Ag F18 N4 P | P b c a | 17.6078; 15.0214; 18.074 90; 90; 90 | 4780.5 | Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation. Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253 |
7226666 | CIF | C10 H6 Ag F18 N2 P | P 1 21/n 1 | 9.6624; 14.99; 12.85 90; 93.695; 90 | 1857.3 | Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation. Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253 |
7226667 | CIF | C16 H10 Ag F18 N2 P | P 1 21/c 1 | 12.8087; 10.5095; 16.822 90; 100.596; 90 | 2225.8 | Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation. Physical chemistry chemical physics : PCCP, 2016, 18, 28242-28253 |
7226671 | CIF | C17 H79 Eu N19 O24.5 P4 | P 1 2/n 1 | 26.576; 14.451; 27.285 90; 111.21; 90 | 9769 | Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory. Physical chemistry chemical physics : PCCP, 2016, 18, 27808-27817 |
7226672 | CIF | C12 H46 Eu K5 N4 O23 P4 | P 4 c c | 12.5231; 12.5231; 24.8781 90; 90; 90 | 3901.6 | Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory. Physical chemistry chemical physics : PCCP, 2016, 18, 27808-27817 |
7226699 | CIF | C32 H24 N5 O | P -1 | 10.1252; 10.2626; 13.4382 97.847; 97.577; 113.879 | 1237.61 | Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies. Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273 |
7226700 | CIF | C25 H23 N4 O Si | C 1 2/c 1 | 19.1687; 16.52; 17.427 90; 123.08; 90 | 4624.05 | Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies. Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273 |
7226701 | CIF | C22 H15 N4 O | P 1 21/c 1 | 10.513; 18.2406; 10.6648 90; 119.261; 90 | 1784.2 | Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies. Physical chemistry chemical physics : PCCP, 2016, 18, 28262-28273 |
7226709 | CIF | C10 H22 Al N2 Na O12 | P 1 21/n 1 | 8.0388; 9.3156; 12.0288 90; 90.792; 90 | 900.71 | Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S. Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties. Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640 |
7226710 | CIF | C10 H22 Al N2 Na O12 | P 1 n 1 | 8.0343; 9.231; 11.9465 90; 90.966; 90 | 885.88 | Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S. Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties. Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640 |
7226711 | CIF | C10 H22 Cr N2 Na O12 | P 1 n 1 | 8.10474; 9.26392; 12.04593 90; 91.1766; 90 | 904.238 | Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S. Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties. Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640 |
7226712 | CIF | C10 H22 Cr N2 Na O12 | P 1 21/n 1 | 8.1066; 9.3455; 12.1283 90; 91.062; 90 | 918.68 | Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S. Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties. Physical chemistry chemical physics : PCCP, 2016, 18, 29629-29640 |
7226772 | CIF | C15 H13 N3 O4 S | P 1 21/c 1 | 7.034; 14.9894; 13.8939 90; 96.387; 90 | 1455.82 | Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E. A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical chemistry chemical physics : PCCP, 2016, 18, 28802-28818 |
7226773 | CIF | C15 H15 N3 O5 S | P -1 | 10.3465; 12.7126; 12.8098 102.78; 99.985; 108.728 | 1500.67 | Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E. A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical chemistry chemical physics : PCCP, 2016, 18, 28802-28818 |
7226779 | CIF | C54 H47 F6 N2 O Os P6 | P -1 | 14.649; 14.7296; 23.2685 103.447; 96.362; 91.092 | 4847.8 | Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties. Physical chemistry chemical physics : PCCP, 2016, 18, 28982-28996 |
7226780 | CIF | C50.5 H42 Cl F6 N2 O Os P3 | P 42/n | 28.557; 28.557; 11.9682 90; 90; 90 | 9760.1 | Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties. Physical chemistry chemical physics : PCCP, 2016, 18, 28982-28996 |
7226781 | CIF | C26 H34 Co N4 O4 | P 1 21/n 1 | 16.1119; 7.0151; 21.1805 90; 96.396; 90 | 2379.1 | Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K. Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment. Physical chemistry chemical physics : PCCP, 2016, 18, 30135-30143 |
7226872 | CIF | C25 H19 F3 N2 O5 S | P n a 21 | 27.601; 10.773; 7.699 90; 90; 90 | 2289.3 | Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias Cationic CHπ interactions as a function of solvation. Physical chemistry chemical physics : PCCP, 2016, 18, 30940-30945 |
7226893 | CIF | C40 H55 N O11 S | P -1 | 8.296; 10.559; 22.575 87.07; 89.387; 82.151 | 1956.4 | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008 |
7226894 | CIF | C28 H29 N O8 S | P -1 | 7.1974; 12.5766; 14.1544 78.981; 87.111; 83.558 | 1249.13 | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008 |
7226895 | CIF | C44 H38 B N O4 | P 1 21/c 1 | 13.2946; 11.5487; 22.664 90; 101.108; 90 | 3414.5 | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008 |
7226896 | CIF | C32 H49 N O10 | P 1 21/n 1 | 11.301; 6.6661; 43.6661 90; 96.49; 90 | 3268.4 | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008 |
7226897 | CIF | C32 H44 N O8.5 S | C 1 2/c 1 | 43.206; 7.075; 22.126 90; 111.687; 90 | 6285 | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008 |
7226898 | CIF | C22 H18 F6 N2 O8 S2 | P -1 | 7.9779; 14.2778; 21.8106 86.203; 80.015; 89.901 | 2441.3 | Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion. Physical chemistry chemical physics : PCCP, 2016, 18, 29999-30008 |
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 |
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 |
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