Crystallography Open Database

Result: there are 38 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' volume of publication is 11

Left arrow Left arrow First | Left arrow Previous 20 | of 2 | Next 20 Blue right arrow | Last Blue right arrow Blue 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
7200205 CIFC13 H13 NP 1 21/c 19.5107; 11.0673; 10.0425
90; 108.888; 90		1000.13Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Parker, Stewart F.; Lennon, David
A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene
Physical Chemistry Chemical Physics, 2009, 11, 288-297
7200206 CIFC13 H14 Cl NP 1 21/n 15.5504; 22.093; 9.7906
90; 106.436; 90		1151.51Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Parker, Stewart F.; Lennon, David
A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene
Physical Chemistry Chemical Physics, 2009, 11, 288-297
7200451 CIFC18 H16 OP 1 21 116.312; 7.247; 16.383
90; 90.243; 90		1936.7Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A.
Probing weak non-covalent interactions in solution and solid states with designed molecules
Physical Chemistry Chemical Physics, 2009, 11, 97-100
7200452 CIFC18 H16 N2P 1 21/c 113.8169; 11.8799; 8.5789
90; 100.271; 90		1385.6Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A.
Probing weak non-covalent interactions in solution and solid states with designed molecules
Physical Chemistry Chemical Physics, 2009, 11, 97-100
7200569 CIFC14 H10 Cl2 N4 O4P 1 21/c 13.73872; 20.1285; 9.6317
90; 98.9799; 90		715.95Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Physical Chemistry Chemical Physics, 2009, 11, 2281-2286
7200570 CIFC14 H10 Cl2 N4 O4P 1 21/c 13.75092; 20.1711; 9.6437
90; 99.1239; 90		720.41Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Physical Chemistry Chemical Physics, 2009, 11, 2281-2286
7200571 CIFC14 H10 Cl2 N4 O4P 1 21/c 13.7572; 20.1855; 9.6392
90; 99.189; 90		721.66Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Physical Chemistry Chemical Physics, 2009, 11, 2281-2286
7200572 CIFC14 H10 Cl2 N4 O4P 1 21/c 13.76378; 20.2105; 9.6548
90; 99.2919; 90		724.78Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Physical Chemistry Chemical Physics, 2009, 11, 2281-2286
7200573 CIFC14 H10 Cl2 N4 O4P 1 21/c 13.7657; 20.2197; 9.6515
90; 99.334; 90		725.15Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Physical Chemistry Chemical Physics, 2009, 11, 2281-2286
7200574 CIFC14 H10 Cl2 N4 O4P 1 21/c 13.7825; 20.2466; 9.6556
90; 99.515; 90		729.28Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo
Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction
Physical Chemistry Chemical Physics, 2009, 11, 2281-2286
7200622 CIFC5 H12 Cl N O2P b c a8.553; 8.713; 22.141
90; 90; 90		1650Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben
Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
Physical Chemistry Chemical Physics, 2009, 11, 2601-2609
7200623 CIFC5 H12 Cl N O2P b c a8.5862; 8.7421; 22.2501
90; 90; 90		1670.12Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben
Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
Physical Chemistry Chemical Physics, 2009, 11, 2601-2609
7200624 CIFC5 H12 Cl N O2P b c a8.5889; 8.7603; 22.2425
90; 90; 90		1673.56Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben
Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
Physical Chemistry Chemical Physics, 2009, 11, 2601-2609
7200625 CIFC5 H12 Cl N O2P b c a8.5921; 8.7611; 22.2484
90; 90; 90		1674.78Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben
Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
Physical Chemistry Chemical Physics, 2009, 11, 2601-2609
7200626 CIFC5 H12 Cl N O2P b c a8.6018; 8.7828; 22.2584
90; 90; 90		1681.58Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben
Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
Physical Chemistry Chemical Physics, 2009, 11, 2601-2609
7200713 CIFC27 H33 O13 Zr2P -111.1545; 11.845; 12.0487
76.062; 85.173; 85.04		1536Walther, Philip; Puchberger, Michael; Kogler, F. Rene; Schwarz, Karlheinz; Schubert, Ulrich
Ligand dynamics on the surface of zirconium oxo clusters
Physical Chemistry Chemical Physics, 2009, 11, 3640-3647
7200803 CIFC5.275 H5.475 Ga0.5 N0.425 O2.925I 1 2/a 16.712; 11.2486; 17.965
90; 91.975; 90		1355.6Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël
IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings
Physical Chemistry Chemical Physics, 2009, 11, 5241-5245
7200804 CIFC7 H4.75 Ga0.5 O4P n m a17.437; 6.7475; 12.1541
90; 90; 90		1430Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël
IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings
Physical Chemistry Chemical Physics, 2009, 11, 5241-5245
7200806 CIFC22 H18 F3 O3 S17P -18.7924; 11.6205; 17.1222
77.617; 87.597; 77.705		1669.51Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H.
IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding
Physical Chemistry Chemical Physics, 2009, 11, 3910-3920
7200807 CIFC22 H18 F3 O3 S17P -18.889; 11.7375; 17.219
77.299; 86.942; 77.239		1709.27Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H.
IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding
Physical Chemistry Chemical Physics, 2009, 11, 3910-3920

Left arrow Left arrow First | Left arrow Previous 20 | of 2 | Next 20 Blue right arrow | Last Blue right arrow Blue 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!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.