Crystallography Open Database

Result: there are 194 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 18

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 4 | Next 50 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
7226487 CIFC22 H17 N O4P -17.3977; 11.6656; 20.3981
76.247; 83.564; 88.301
1699.07Lifshits, 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 CIFC21 H17 N O2P 1 21/c 120.7631; 3.953; 18.9724
90; 99.996; 90
1533.55Lifshits, 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 CIFC34 H24 Eu F12 N O8 S4P -110.0179; 12.2989; 17.6698
100.592; 95.431; 102.457
2069.1Yi, 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 CIFC14 H12 Ag F18 N4 PP b c a17.6078; 15.0214; 18.074
90; 90; 90
4780.5Pliquett, 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 CIFC10 H6 Ag F18 N2 PP 1 21/n 19.6624; 14.99; 12.85
90; 93.695; 90
1857.3Pliquett, 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 CIFC16 H10 Ag F18 N2 PP 1 21/c 112.8087; 10.5095; 16.822
90; 100.596; 90
2225.8Pliquett, 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 CIFC17 H79 Eu N19 O24.5 P4P 1 2/n 126.576; 14.451; 27.285
90; 111.21; 90
9769Janicki, 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 CIFC12 H46 Eu K5 N4 O23 P4P 4 c c12.5231; 12.5231; 24.8781
90; 90; 90
3901.6Janicki, 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 CIFC32 H24 N5 OP -110.1252; 10.2626; 13.4382
97.847; 97.577; 113.879
1237.61Dresselhaus, 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 CIFC25 H23 N4 O SiC 1 2/c 119.1687; 16.52; 17.427
90; 123.08; 90
4624.05Dresselhaus, 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 CIFC22 H15 N4 OP 1 21/c 110.513; 18.2406; 10.6648
90; 119.261; 90
1784.2Dresselhaus, 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 CIFC10 H22 Al N2 Na O12P 1 21/n 18.0388; 9.3156; 12.0288
90; 90.792; 90
900.71Ptak, 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 CIFC10 H22 Al N2 Na O12P 1 n 18.0343; 9.231; 11.9465
90; 90.966; 90
885.88Ptak, 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 CIFC10 H22 Cr N2 Na O12P 1 n 18.10474; 9.26392; 12.04593
90; 91.1766; 90
904.238Ptak, 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 CIFC10 H22 Cr N2 Na O12P 1 21/n 18.1066; 9.3455; 12.1283
90; 91.062; 90
918.68Ptak, 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 CIFC15 H13 N3 O4 SP 1 21/c 17.034; 14.9894; 13.8939
90; 96.387; 90
1455.82Lai, 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 CIFC15 H15 N3 O5 SP -110.3465; 12.7126; 12.8098
102.78; 99.985; 108.728
1500.67Lai, 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 CIFC54 H47 F6 N2 O Os P6P -114.649; 14.7296; 23.2685
103.447; 96.362; 91.092
4847.8Kamecka, 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 CIFC50.5 H42 Cl F6 N2 O Os P3P 42/n28.557; 28.557; 11.9682
90; 90; 90
9760.1Kamecka, 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 CIFC26 H34 Co N4 O4P 1 21/n 116.1119; 7.0151; 21.1805
90; 96.396; 90
2379.1Peng, 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 CIFC25 H19 F3 N2 O5 SP n a 2127.601; 10.773; 7.699
90; 90; 90
2289.3Emenike, 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 CIFC40 H55 N O11 SP -18.296; 10.559; 22.575
87.07; 89.387; 82.151
1956.4Soulié, 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 CIFC28 H29 N O8 SP -17.1974; 12.5766; 14.1544
78.981; 87.111; 83.558
1249.13Soulié, 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 CIFC44 H38 B N O4P 1 21/c 113.2946; 11.5487; 22.664
90; 101.108; 90
3414.5Soulié, 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 CIFC32 H49 N O10P 1 21/n 111.301; 6.6661; 43.6661
90; 96.49; 90
3268.4Soulié, 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 CIFC32 H44 N O8.5 SC 1 2/c 143.206; 7.075; 22.126
90; 111.687; 90
6285Soulié, 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 CIFC22 H18 F6 N2 O8 S2P -17.9779; 14.2778; 21.8106
86.203; 80.015; 89.901
2441.3Soulié, 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 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
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

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 4 | Next 50 Right arrow | Last Right arrow Right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!