Crystallography Open Database

Result: there are 60 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 15

Left arrow Left arrow First | Left arrow Previous 20 | of 3 | 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
7209199 CIFC38 H45 B F2 N2P 1 21/c 114.0557; 11.4779; 19.3737
90; 98.905; 90
3087.9Liao, Yuanyuan; Génot, Valérie; Méallet-Renault, Rachel; Vu, Thanh T.; Audibert, Jean-Frédéric; Lemaistre, Jean-Pierre; Clavier, Gilles; Retailleau, Pascal; Pansu, Robert B.
Spectroscopy of BODIPY in solid phase: crystal and nanoparticles.
Physical chemistry chemical physics : PCCP, 2013, 15, 3186-3195
7209839 CIFC14 H8 Fe2 O4P 1 21/n 112.6185; 6.6178; 15.435
90; 111.15; 90
1202.1Hou, Zongrui; Nguyen, Son C; Lomont, Justin P; Harris, Charles B; Vinokurov, Nikolai; Vollhardt, K Peter C
Switching from Ru to Fe: picosecond IR spectroscopic investigation of the potential of the (fulvalene)tetracarbonyldiiron frame for molecular solar-thermal storage.
Physical chemistry chemical physics : PCCP, 2013, 15, 7466-7469
7210448 CIFC13 H8 N2 Na O6 SP b c a11.116; 5.81; 46.919
90; 90; 90
3030.21Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco
Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.
Physical chemistry chemical physics : PCCP, 2013, 15, 13418-13433
7210449 CIFC15 H20 N3 Na O3 SP 1 21/c 115.4283; 9.8446; 12.3063
90; 109.738; 90
1759.33Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco
Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.
Physical chemistry chemical physics : PCCP, 2013, 15, 13418-13433
7210620 CIFC28 H16 F6 P S4P -4 21 c13.4896; 13.4896; 6.7343
90; 90; 90
1225.4Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko
A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.
Physical chemistry chemical physics : PCCP, 2013, 15, 17818-17822
7210621 CIFC28 H16 F6 P S4P -4 21 c13.407; 13.407; 6.638
90; 90; 90
1193.2Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko
A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.
Physical chemistry chemical physics : PCCP, 2013, 15, 17818-17822
7210622 CIFC73 H10 N4 O S2P -110.118; 13.083; 16.308
79.427; 89.959; 69.619
1984.6Yang, Pingao; Chen, Shan; Liu, Yu; Xiao, Zuo; Ding, Liming
A pyridine-functionalized pyrazolinofullerene used as a buffer layer in polymer solar cells.
Physical chemistry chemical physics : PCCP, 2013, 15, 17076-17078
7210663 CIFC22 H23 N O4P -19.931; 10.078; 19.577
99.024; 93.008; 103.845
1870.6Coluccini, Carmine; Sharma, Arvind K.; Caricato, Marco; Sironi, Angelo; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Botta, Chiara; Forni, Alessandra; Pasini, Dario
Switching of emissive and NLO properties in push-pull chromophores with crescent PPV-like structures.
Physical chemistry chemical physics : PCCP, 2013, 15, 1666-1674
7210664 CIFC42 H37 N2 O6P 1 21/c 110.8756; 16.1912; 20.1235
90; 94.485; 90
3532.7Kamino, Shinichiro; Muranaka, Atsuya; Murakami, Miho; Tatsumi, Asana; Nagaoka, Noriyuki; Shirasaki, Yoshinao; Watanabe, Keiko; Yoshida, Kengo; Horigome, Jun; Komeda, Seiji; Uchiyama, Masanobu; Enomoto, Shuichi
A red-emissive aminobenzopyrano-xanthene dye: elucidation of fluorescence emission mechanisms in solution and in the aggregate state.
Physical chemistry chemical physics : PCCP, 2013, 15, 2131-2140
7210665 CIFC24 H22 Cu2 F6 N4 O10 S2P -18.3587; 11.358; 16.6543
71.237; 81.473; 86.107
1480.21Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7210666 CIFC25 H28 Cl2 Cu2 N4 O12P -18.0321; 11.1208; 16.9976
87.467; 88.341; 79.509
1491.11Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7210667 CIFC26 H30 Cl2 Cu2 N4 O12P -18.4364; 11.008; 17.0555
94.232; 92.777; 95.28
1570.45Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7210668 CIFC26 H30 Cl2 Cu2 N4 O12P 1 21/n 18.2136; 16.5961; 22.9861
90; 95.828; 90
3117.1Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7210669 CIFC29 H35 Cl2 Cu2 N4 O12P -18.66; 12.712; 16.826
71.42; 89.94; 75.56
1694.1Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7210670 CIFC28 H30 Cu2 F6 N4 O10 S2P 1 21/n 19.1312; 17.4262; 22.0653
90; 90.562; 90
3510.9Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7210671 CIFC29 H32 Cu2 F6 N4 O10 S2P -19.1519; 12.255; 16.5318
104.155; 92.966; 97.551
1775.5Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc
Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.
Physical chemistry chemical physics : PCCP, 2013, 15, 1966-1975
7211270 CIFC20 H19 B F24 N2 O4P 1 21 18.9539; 37.2276; 9.1021
90; 90.1219; 90
3034.02Beichel, Witali; Yu, Yang; Dlubek, Günter; Krause-Rehberg, Reinhard; Pionteck, Jürgen; Pfefferkorn, Dirk; Bulut, Safak; Bejan, Dana; Friedrich, Christian; Krossing, Ingo
Free volume in ionic liquids: a connection of experimentally accessible observables from PALS and PVT experiments with the molecular structure from XRD data.
Physical chemistry chemical physics : PCCP, 2013, 15, 8821-8830
7211271 CIFC22 H36 Br I12 NI 4/m m m16.0167; 16.0167; 17.0905
90; 90; 90
4384.3Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun
The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.
Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328
7211272 CIFC22 H36 Cl I12 NI 4/m m m15.9134; 15.9134; 17.0463
90; 90; 90
4316.7Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun
The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.
Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328
7211273 CIFC18 H36 I5 NP -19.003; 9.062; 19.036
81.642; 80.716; 64.652
1380.1Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun
The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.
Physical chemistry chemical physics : PCCP, 2013, 15, 4320-4328

Left arrow Left arrow First | Left arrow Previous 20 | of 3 | 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!