Crystallography Open Database
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Searching volume of publication is 112
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000360 | CIF | F32 Fe7 Na7 Sr2 | F d d d :2 | 10.372; 10.805; 44.98 90; 90; 90 | 5040.9 | Hemon-Ribaud, A; Greneche, J M; Courbion, G Synthesis, crystal structure, and magnetic study of Na~7~Sr~2~Fe~7~F~32~ Journal of Solid State Chemistry, 1994, 112, 82-91 |
| 1001606 | CIF | Fe2 O9 Pb1.01 Sr4 | I 4/m m m | 3.84845; 3.84845; 30.68379 90; 90; 90 | 454.4 | Caignaert, V; Daniel, Ph; Nguyen, N; Ducouret, A; Groult, D; Raveau, B Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr~4~Fe~2~O~9~: powder neutron diffraction and Moessbauer spectroscopy studies Journal of Solid State Chemistry, 1994, 112, 126-131 |
| 1001607 | CIF | Ba Co1.6 Cu0.4 O5 Y | P 4/m m m | 3.8724; 3.8724; 7.4953 90; 90; 90 | 112.4 | Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~ Journal of Solid State Chemistry, 1994, 112, 148-156 |
| 1001608 | CIF | Ba Co1.2 Cu0.8 O5 Y | P 4/m m m | 3.8675; 3.8675; 7.5238 90; 90; 90 | 112.5 | Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~ Journal of Solid State Chemistry, 1994, 112, 148-156 |
| 1001609 | CIF | Ba Co1.1 Cu0.9 O5 Y | P 4/m m m | 3.8666; 3.8666; 7.5266 90; 90; 90 | 112.5 | Barbey, L; Nguyen, N; Caignaert, V; Studer, F; Raveau, B Spin state and variation of the spin orientation of Co(III) in the 112- type phase YBa(Co~2-x~Cu~x~)O~5~ Journal of Solid State Chemistry, 1994, 112, 148-156 |
| 1001610 | CIF | Mo4 O22 P4 Rb3 | C 2 2 21 | 14.222; 14.223; 19.22699 90; 90; 90 | 3889.2 | Borel, M M; Leclaire, A; Guesdon, A; Grandin, A; Raveau, B Mixed valent molybdenum monophosphates with an intersecting tunnel structure: A~3~O~2~(MoO)~4~(PO~4~)~4~ (A=Rb, Tl) Journal of Solid State Chemistry, 1994, 112, 15-21 |
| 1001611 | CIF | Ba Mo4 O16 P2 | I -4 2 m | 7.475; 7.475; 11.156 90; 90; 90 | 623.3 | Borel, M M; Chardon, J; Leclaire, A; Grandin, A; Raveau, B A molybdenum(V) monophosphate with a layer structure, BaMo~4~O~8~(PO~4~)~2~ Journal of Solid State Chemistry, 1994, 112, 317-321 |
| 1001612 | CIF | Ba2.5 Bi1.5 Cu2 La O8.24 | I 4/m m m | 3.9322; 3.9322; 31.23999 90; 90; 90 | 483 | Michel, C; Pelloquin, D; Hervieu, M; Raveau, B Neutron diffraction study of the nonmodulated 2212-type cuprate Bi~1.5~Ba~2.5~LaCu~2~O~8.25~ Journal of Solid State Chemistry, 1994, 112, 362-366 |
| 1004101 | CIF | Bi0.75 O1.36 Sr0.25 | R -3 m :H | 3.97; 3.97; 28.53999 90; 90; 120 | 389.6 | Mercurio, D; Champarnaud-Mesjard, J C; Frit, B; Conflant, P; Boivin, J C; Vogt, T Thermal evolution of the crystal structure of the rhombohedral Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction study Journal of Solid State Chemistry, 1994, 112, 1-8 |
| 1004102 | CIF | Bi0.75 O1.36 Sr0.25 | R -3 m :H | 3.983; 3.983; 28.68999 90; 90; 120 | 394.2 | Mercurio, D; Champarnaud-Mesjard, J C; Frit, B; Conflant, P; Boivin, J C; Vogt, T Thermal evolution of the crystal structure of the rhombohedral Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction study Journal of Solid State Chemistry, 1994, 112, 1-8 |
| 1004103 | CIF | Bi0.75 O1.37 Sr0.25 | R -3 m :H | 4.011; 4.011; 29.00999 90; 90; 120 | 404.2 | Mercurio, D; Champarnaud-Mesjard, J C; Frit, B; Conflant, P; Boivin, J C; Vogt, T Thermal evolution of the crystal structure of the rhombohedral Bi~0.75~Sr~0.25~O~1.375~ phase: a single crystal neutron diffraction study Journal of Solid State Chemistry, 1994, 112, 1-8 |
| 1006067 | CIF | La1.2 O4 U0.8 | R -3 m :H | 3.94275; 3.94275; 18.87889 90; 90; 120 | 254.2 | Rojas, R M; Herrero, P; Garcia Chain, P J; Rodriguez-Carvajal, J Structural study of the rhombohedral fluorite-related R~III~ phase U~1- y~La~y~O~2+x~, 0.56<y<0.67 Journal of Solid State Chemistry, 1994, 112, 322-328 |
| 1008659 | CIF | O4 Ru Sr2 | I 4/m m m | 3.873; 3.873; 12.7323 90; 90; 90 | 191 | Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K Journal of Solid State Chemistry, 1994, 112, 355-361 |
| 1008660 | CIF | O4 Ru Sr2 | I 4/m m m | 3.86358; 3.86358; 12.7155 90; 90; 90 | 189.8 | Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K Journal of Solid State Chemistry, 1994, 112, 355-361 |
| 1008661 | CIF | Ir O4 Sr2 | I 41/a c d :1 | 5.4994; 5.4994; 25.78409 90; 90; 90 | 779.8 | Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K Journal of Solid State Chemistry, 1994, 112, 355-361 |
| 1008662 | CIF | Ir O4 Sr2 | I 41/a c d :1 | 5.48463; 5.48463; 25.7977 90; 90; 90 | 776 | Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K Journal of Solid State Chemistry, 1994, 112, 355-361 |
| 1504348 | CIF | C2 H4 Cl2 | P n m a | 7.7446; 9.3368; 5.8584 90; 90; 90 | 423.62 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504349 | CIF | C2 H4 Cl2 | P n m a | 7.8716; 9.404; 5.8862 90; 90; 90 | 435.72 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504350 | CIF | C2 H4 Cl2 | P n m a | 7.5572; 9.1829; 5.713 90; 90; 90 | 396.5 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504351 | CIF | C2 H4 Cl2 | P n m a | 7.3833; 9.0641; 5.6461 90; 90; 90 | 377.85 | Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B, 2008, 112, 1184-1188 |
| 1504352 | CIF | C19 H6 Cl N6 O3 Re | P n m a | 9.841; 14.0813; 14.0276 90; 90; 90 | 1943.9 | Si, Z.; Li, J.; Li, B.; Hong, Z.; Liu, S.; Li, W. Electroluminescence from Singlet Excited-State of the Exciplex between (2,3-Dicarbonitrilopyrazino[2,3-f][1,10]phenanthroline)Re(CO)3Cl and CBP Journal of Physical Chemistry C, 2008, 112, 3920 |
| 1504353 | CIF | C32 H16 F18 N3 O6 Sm | P -1 | 11.5889; 17.5357; 18.8203 79.3974; 84.1179; 88.0187 | 3739.08 | Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination. The journal of physical chemistry. A, 2008, 112, 803-807 |
| 1504354 | CIF | C41 H22 F18 N5 O6 Sm | P 1 21/n 1 | 11.69; 19.656; 20.63 90; 93.412; 90 | 4731.9 | Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination. The journal of physical chemistry. A, 2008, 112, 803-807 |
| 1504355 | CIF | C8 H11 F6 Li N2 O6 S2 | P 1 21/c 1 | 10.105; 18.676; 8.512 90; 94.012; 90 | 1602.5 | Burba, Christopher M.; Rocher, Nathalie M.; Frech, Roger; Powell, Douglas R. Cation-anion interactions in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate-based ionic liquid electrolytes. The journal of physical chemistry. B, 2008, 112, 2991-2995 |
| 1504356 | CIF | C15 H22 N2 | P 1 21 1 | 7.815; 22.2685; 8.2607 90; 102.73; 90 | 1402.26 | Druzhinin, Sergey I.; Dubbaka, Srinivas Reddy; Knochel, Paul; Kovalenko, Sergey A.; Mayer, Peter; Senyushkina, Tamara; Zachariasse, Klaas A. Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile. The journal of physical chemistry. A, 2008, 112, 2749-2761 |
| 1504357 | CIF | C5 H10 | P 1 21/c 1 | 9.578; 5.328; 10.018 90; 113.12; 90 | 470.2 | Torrisi, Antonio; Leech, Charlotte K.; Shankland, Kenneth; David, William I. F.; Ibberson, Richard M.; Benet-Buchholz, Jordi; Boese, Roland; Leslie, Maurice; Catlow, C Richard A; Price, Sarah L. Solid phases of cyclopentane: combined experimental and simulation study. The journal of physical chemistry. B, 2008, 112, 3746-3758 |
| 1504358 | CIF | C8 H18 F6 O6 P2 S2 | R -3 m :H | 9.1795; 9.1795; 17.7956 90; 90; 120 | 1298.62 | Wolstenholme, David J.; Weigand, Jan J.; Davidson, Reagan J.; Pearson, Jason K.; Cameron, T. Stanley Understanding the electronic structure, reactivity, and hydrogen bonding for a 1,2-diphosphonium dication. The journal of physical chemistry. A, 2008, 112, 3424-3431 |
| 1504359 | CIF | C28 H24 Cl2 N2 Pt | P 1 21/c 1 | 16.2361; 9.511; 17.9203 90; 114.692; 90 | 2514.26 | Shao, Pin; Li, Yunjing; Sun, Wenfang Cyclometalated platinum(II) complex with strong and broadband nonlinear optical response. The journal of physical chemistry. A, 2008, 112, 1172-1179 |
| 1504360 | CIF | C11 H10 Fe O | P 21 21 21 | 7.639; 10.518; 11.3 90; 90; 90 | 907.9 | Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. The journal of physical chemistry. A, 2008, 112, 2977-2987 |
| 1504361 | CIF | C12 H14 Fe | P 1 21/a 1 | 10.954; 7.526; 12.334 90; 102.81; 90 | 991.5 | Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)]. The journal of physical chemistry. A, 2008, 112, 2977-2987 |
| 1504362 | CIF | C38 H46 Cu N20 O6 | P -1 | 8.096; 9.908; 15.278 96.055; 92.863; 112.48 | 1120.6 | Yamamura, Yasuhisa; Shimoi, Hiroyasu; Sumita, Masato; Yasuzuka, Syuma; Adachi, Keiichi; Fuyuhiro, Akira; Kawata, Satoshi; Saito, Kazuya Calorimetric study of correlated disordering in [Hdamel]2[Cu(II)(tdpd)2] x 2 THF crystal. The journal of physical chemistry. A, 2008, 112, 4465-4469 |
| 1504363 | CIF | C55 H51 Cl3 N4 S8 | P -1 | 13.388; 13.833; 16.353 80.08; 80.02; 65.63 | 2699.7 | Huang, Wei; Tanaka, Hirofumi; Ogawa, Takuji Effects of Metal−Ion Complexation for the Self-Assembled Nanocomposite Films Composed of Gold Nanoparticles and 3,8-Bis(terthiophenyl)phenanthroline-Based Dithiols Bridging 1 μm Gap Gold Electrodes: Morphology, Temperature Dependent Electronic Conduction, and Photoresponse Journal of Physical Chemistry C, 2008, 112, 11513 |
| 1504364 | CIF | C31 H21 N O | P 1 21/c 1 | 18.807; 8.584; 16.555 90; 115.041; 90 | 2421.4 | Liu, Y.; Tao, X.; Wang, F.; Dang, X.; Zou, D.; Ren, Y.; Jiang, M. Aggregation-Induced Emissions of Fluorenonearylamine Derivatives: A New Kind of Materials for Nondoped Red Organic Light-Emitting Diodes Journal of Physical Chemistry C, 2008, 112, 3975 |
| 1504365 | CIF | C49 H34 N2 O | C 1 2/c 1 | 15.8751; 12.3295; 42.907 90; 93.705; 90 | 8380.7 | Liu, Y.; Tao, X.; Wang, F.; Dang, X.; Zou, D.; Ren, Y.; Jiang, M. Aggregation-Induced Emissions of Fluorenonearylamine Derivatives: A New Kind of Materials for Nondoped Red Organic Light-Emitting Diodes Journal of Physical Chemistry C, 2008, 112, 3975 |
| 1504366 | CIF | C16 H8 F6 N2 O | P b c a | 15.064; 5.9041; 32.08 90; 90; 90 | 2853.2 | Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E. Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups Journal of Physical Chemistry C, 2008, 112, 7939 |
| 1504367 | CIF | C18 H8 F6 N4 O2 | P -1 | 4.9009; 13.141; 13.489 102.305; 92.248; 99.742 | 834 | Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E. Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups Journal of Physical Chemistry C, 2008, 112, 7939 |
| 1504368 | CIF | C16 F10 N4 O2 | P 1 21/c 1 | 13.5479; 5.8743; 19.6022 90; 90.705; 90 | 1559.91 | Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E. Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups Journal of Physical Chemistry C, 2008, 112, 7939 |
| 1504369 | CIF | C29 H21 N3 S3 | P 1 21/c 1 | 13.4193; 10.3767; 17.7646 90; 97.4801; 90 | 2452.6 | Nakagawa, Tetsuya; Hasegawa, Yasuchika; Kawai, Tsuyoshi Photoresponsive europium(III) complex based on photochromic reaction. The journal of physical chemistry. A, 2008, 112, 5096-5103 |
| 1504370 | CIF | C5 H7 O2 | P b c n | 9.064; 9.227; 11.456 90; 90; 90 | 958.1 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
| 1504371 | CIF | C5 H7 O2 | P b c n | 9.062; 9.216; 11.411 90; 90; 90 | 953 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
| 1504372 | CIF | C5 H7 O2 | P b c n | 9.079; 9.247; 11.464 90; 90; 90 | 962.4 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
| 1504373 | CIF | C5 H7 O2 | P b c n | 9.099; 9.225; 11.495 90; 90; 90 | 964.9 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
| 1504374 | CIF | C5 H7 O2 | P b c n | 9.12; 9.359; 11.817 90; 90; 90 | 1008.6 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
| 1504375 | CIF | C10 H14 O4 | P b c n | 9.0859; 9.2413; 11.465 90; 90; 90 | 962.7 | Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane. The journal of physical chemistry. A, 2008, 112, 6667-6677 |
| 1504376 | CIF | C25 H9 Cl3 N3 | P -1 | 10.926; 11.233; 12.501 90.239; 114.539; 110.869 | 1283.1 | Wang, Yiliang; Frattarelli, David L.; Facchetti, Antonio; Cariati, Elena; Tordin, Elisa; Ugo, Renato; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J. Twisted π-Electron System Electrooptic Chromophores. Structural and Electronic Consequences of Relaxing Twist-Inducing Nonbonded Repulsions Journal of Physical Chemistry C, 2008, 112, 8005 |
| 1504377 | CIF | C4 H8 N2 S2 | C 1 2/c 1 | 12.1589; 4.788; 10.7556 90; 102.048; 90 | 612.36 | Bushmarinov, Ivan S.; Antipin, Mikhail Yu; Akhmetova, Vnira R.; Nadyrgulova, Guzel R.; Lyssenko, Konstantin A. Stereoelectronic effects in N-C-S and N-N-C systems: experimental and ab initio AIM study. The journal of physical chemistry. A, 2008, 112, 5017-5023 |
| 1504378 | CIF | C H2 Cl I | P n m a | 6.315; 6.5616; 8.6926 90; 90; 90 | 360.19 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504379 | CIF | C H2 Cl I | P n m a | 6.3026; 6.5131; 8.6599 90; 90; 90 | 355.48 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504380 | CIF | C H2 Cl I | P n m a | 6.2105; 6.3402; 8.5189 90; 90; 90 | 335.44 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504381 | CIF | C H2 I2 | F m m 2 | 7.1819; 12.912; 4.693 90; 90; 90 | 435.19 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504382 | CIF | C H2 I2 | F m m 2 | 6.9208; 12.695; 4.5338 90; 90; 90 | 398.34 | Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B, 2008, 112, 5355-5362 |
| 1504383 | CIF | C2 H3 N | P 1 21/c 1 | 3.9838; 8.1352; 7.8165 90; 99.33; 90 | 249.97 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
| 1504384 | CIF | C2 H3 N | C m c 21 | 6.0717; 5.2319; 7.7779 90; 90; 90 | 247.08 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
| 1504385 | CIF | C2 H3 N | C m c 21 | 5.833; 5.082; 7.563 90; 90; 90 | 224.2 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
| 1504386 | CIF | C6 H9 N3 | P 1 21/n 1 | 7.489; 7.882; 11.793 90; 99.48; 90 | 686.6 | Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B, 2008, 112, 7183-7190 |
| 1504387 | CIF | C21 H28 O14 | P 1 21 1 | 11.67891; 21.3027; 20.2268 90; 93.4268; 90 | 5023.27 | Côte, Marie; Hughes, Colan E.; Austin, Talbir K.; Rogueda, Philippe G. A.; Pan, Zhigang; Harris, Kenneth D. M.; Griffiths, Peter C. Characterization of a Polymorphic System Exhibiting Substantial Variation of Solubility in a Fluorinated Solvent Journal of Physical Chemistry C, 2008, 112, 14570 |
| 1504388 | CIF | C20 H11 Au0.57 N6 Ni0.43 O2 S4 | P 1 21/c 1 | 12.191; 26.626; 7.2551 90; 103.22; 90 | 2292.6 | Ren, Xiaoming; Sui, Yunxia; Liu, Guangxiang; Xie, Jingli Observation of intermolecular charge transfer in a quasi-one-dimensional molecular alloy system. The journal of physical chemistry. A, 2008, 112, 8009-8014 |
| 1504389 | CIF | C12 H22 O11 | P 21 21 21 | 6.7999; 11.638; 18.583 90; 90; 90 | 1470.6 | Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M. Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism. The journal of physical chemistry. B, 2008, 112, 9105-9111 |
| 1504390 | CIF | C12 H26 O13 | P 21 21 21 | 7.5969; 12.2305; 17.887 90; 90; 90 | 1662 | Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M. Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism. The journal of physical chemistry. B, 2008, 112, 9105-9111 |
| 1504391 | CIF | C36 H30 | I b a 2 | 10.608; 32.541; 7.6837 90; 90; 90 | 2652.4 | Xie, Zengqi; Xie, Weijie; Li, Feng; Liu, Linlin; Wang, Huan; Ma, Yuguang Controlling Supramolecular Microstructure to Realize Highly Efficient Nondoped Deep Blue Organic Light-Emitting Devices: The Role of Diphenyl Substituents in Distyrylbenzene Derivatives Journal of Physical Chemistry C, 2008, 112, 9066 |
| 1504392 | CIF | C52 H34 S2 | P -1 | 10.1667; 11.0179; 18.5125 90.36; 96.885; 111.722 | 1909.7 | Zhang, Hengjun; Xu, Xinjun; Qiu, Wenfeng; Qi, Ting; Gao, Xike; Liu, Ying; Lu, Kun; Du, Chunyan; Yu, Gui; Liu, Yunqi Unsymmetrical Dendrimers as Highly Efficient Light-Emitting Materials: Synthesis, Photophysics, and Electroluminescence Journal of Physical Chemistry C, 2008, 112, 13258 |
| 1504393 | CIF | C56 H34 S2 | P -1 | 11.3233; 12.086; 15.497 79.217; 77.259; 75.312 | 1981.6 | Zhang, Hengjun; Xu, Xinjun; Qiu, Wenfeng; Qi, Ting; Gao, Xike; Liu, Ying; Lu, Kun; Du, Chunyan; Yu, Gui; Liu, Yunqi Unsymmetrical Dendrimers as Highly Efficient Light-Emitting Materials: Synthesis, Photophysics, and Electroluminescence Journal of Physical Chemistry C, 2008, 112, 13258 |
| 1504394 | CIF | C H Cl3 | P n m a | 7.4081; 9.4034; 5.754 90; 90; 90 | 400.8 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
| 1504395 | CIF | C H Cl3 | P 63 | 5.8868; 5.8868; 6.6541 90; 90; 120 | 199.7 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
| 1504396 | CIF | C H Br3 | P 63 | 6.3229; 6.3229; 7.285 90; 90; 120 | 252.2 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
| 1504397 | CIF | C H Br3 | P 63 | 6.3119; 6.3119; 7.151 90; 90; 120 | 246.7 | Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B, 2008, 112, 12001-12009 |
| 1504398 | CIF | C32 H27 Cl3 Mn3 N3 O12 S | P -1 | 11.5076; 13.8717; 14.1965 117.336; 90.196; 109.517 | 1863.9 | Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K. Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface. The journal of physical chemistry. B, 2008, 112, 9729-9735 |
| 1504399 | CIF | C85 H109 Mn6 N7 O26 S2 | P -1 | 12.8647; 13.1373; 16.1689 92.116; 101.617; 114.076 | 2422.07 | Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K. Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface. The journal of physical chemistry. B, 2008, 112, 9729-9735 |
| 1504400 | CIF | Fe S | P 63/m m c | 3.445; 3.445; 5.763 90; 90; 120 | 59.232 | Shen, Jian-Min; Feng, Yi-Tao Formation of Flower-Like Carbon Nanosheet Aggregations and Their Electrochemical Application Journal of Physical Chemistry C, 2008, 112, 13114 |
| 1504401 | CIF | C65 H59.5 B2 F7 Ni O P3 | P -1 | 13.318; 13.946; 17.017 76.88; 68.233; 83.948 | 2857.9 | Saraev, V. V.; Kraikivskii, P. B.; Svoboda, I.; Kuzakov, A. S.; Jordan, R. F. Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4]. The journal of physical chemistry. A, 2008, 112, 12449-12455 |
| 1504402 | CIF | B H4 Li | P n m a | 7.141; 4.431; 6.748 90; 90; 90 | 213.5 | Filinchuk, Yaroslav; Chernyshov, Dmitry; Cerny, Radovan Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision Journal of Physical Chemistry C, 2008, 112, 10579 |
| 1504403 | CIF | B H4 Li | P 63 m c | 4.3228; 4.3228; 7.0368 90; 90; 120 | 113.88 | Filinchuk, Yaroslav; Chernyshov, Dmitry; Cerny, Radovan Lightest Borohydride Probed by Synchrotron X-ray Diffraction: Experiment Calls for a New Theoretical Revision Journal of Physical Chemistry C, 2008, 112, 10579 |
| 1504404 | CIF | C125 H139 Br4 N4 O4 | P 1 21/n 1 | 16.3983; 31.037; 22.388 90; 102.401; 90 | 11128.6 | Xie, Yongshu; Hill, Jonathan P.; Schumacher, Amy Lea; Sandanayaka, Atula S. D.; Araki, Yasuyuki; Karr, Paul A.; Labuta, Jan; D’Souza, Francis; Ito, Osamu; Anson, Christopher E.; Powell, Annie K.; Ariga, Katsuhiko Twisted, Two-Faced Porphyrins as Hosts for Bispyridyl Fullerenes: Construction and Photophysical Properties Journal of Physical Chemistry C, 2008, 112, 10559 |
| 1504405 | CIF | C12 H8 N2 | P 1 21/n 1 | 7.472; 8.749; 13.864 90; 102.48; 90 | 884.9 | Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A. Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption. The journal of physical chemistry. A, 2008, 112, 8238-8253 |
| 1504406 | CIF | C11 H8 N2 | F d d 2 | 12.839; 11.055; 12.213 90; 90; 90 | 1733.5 | Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A. Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption. The journal of physical chemistry. A, 2008, 112, 8238-8253 |
| 1504407 | CIF | C6 H16 Cu2 N4 O6 | P b c a | 8.3395; 8.5023; 17.1507 90; 90; 90 | 1216.07 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
| 1504408 | CIF | C6 H16 Cu2 N4 O6 | P b c a | 8.3459; 8.5084; 17.1684 90; 90; 90 | 1219.13 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
| 1504409 | CIF | C6 H16 Cu2 N4 O8 | P 1 21/c 1 | 8.8024; 8.0562; 9.2531 90; 104.818; 90 | 634.35 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
| 1504410 | CIF | C8 H18 Cu2 N2 O6 | P 1 21/c 1 | 8.4758; 8.7735; 8.3445 90; 99.616; 90 | 611.8 | Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. The journal of physical chemistry. A, 2008, 112, 9050-9067 |
| 1504411 | CIF | C18 H15 Au Cl P | P 21 21 21 | 10.1077; 12.2492; 12.9943 90; 90; 90 | 1608.84 | Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A. Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function. The journal of physical chemistry. A, 2008, 112, 11519-11522 |
| 1504412 | CIF | C18 H16 N2 S4 | P -1 | 9.894; 13.952; 14.722 106.546; 106.556; 103.482 | 1754.7 | Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A, 2008, 112, 13672-13678 |
| 1504413 | CIF | C19 H17 F3 N2 O3 S5 | P -1 | 9.127; 11.4047; 11.902 71.207; 82.276; 79.411 | 1149.1 | Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A, 2008, 112, 13672-13678 |
| 1504414 | CIF | C17 H13 F3 N2 O3 S5 | C 1 2/c 1 | 21.068; 14.014; 14.368 90; 106.74; 90 | 4062.3 | Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A, 2008, 112, 13672-13678 |
| 1504415 | CIF | C33 H30 Cl2 N4 O9 S8 | P -1 | 12.3485; 13.1326; 15.2098 69.981; 67.801; 62.584 | 1984.2 | Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study. The journal of physical chemistry. A, 2008, 112, 13672-13678 |
| 1509469 | CIF | Ag N2 Na O4 | F 2 2 2 | 7.899; 10.847; 10.697 90; 90; 90 | 916.524 | Gordadze, E.G.; Soboleva, L.V.; Sanadze, V.V. The decoding of the crystal structure of sodium silver nitrite Na Ag (N O2)2 Soobshcheniya Akademii Nauk Gruzinskoi SSR, 1983, 112, 281-284 |
| 1513964 | CIF | Li Mn2 O4 | F d -3 m :2 | 8.251; 8.251; 8.251 90; 90; 90 | 561.7 | Berg, H.; Thomas, J. O.; Wen, L.; Farrington, G. C. A neutron diffraction study of Ni substituted Li Mn2 O4 Solid State Ionics, 1998, 112, 165-168 |
| 1524333 | CIF | C12 Bi Co3 O12 | P 1 21/c 1 | 17.967; 17.428; 12.477 90; 91.44; 90 | 3905.68 | Etzrodt, G.; Boese, R.; Schmid, G. Darstellung und Untersuchung von Tris(tetracarbonylcobaltio)bismutan - ein Beitrag zur Frage der Existenz Bismuthaltiger Nonacarbonyltricobalt-Clusterverbindungen Chemische Berichte, 1979, 112, 2574-2580 |
| 1524709 | CIF | Fe2 Na3 S4 | P n m a | 6.6333; 10.675; 10.677 90; 90; 90 | 756.043 | Klepp, K.O.; Boller, H. Na3 Fe2 S4: ein Thioferrat mit gemischt valenter (Fe S2)-Kette Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1981, 112, 83-89 |
| 1533015 | CIF | Cu0.5 Ni0.5 Ti | P m m b | 2.919; 4.288; 4.5 90; 90; 90 | 56.325 | Potapov, P.L.; Kulkova, S.E.; Okutsu, K.; Shelyakov, A.V.; Miyazaki, S.; Schryvers, D. Crystal structure of orthorhombic martensite in Ti Ni - Cu and Ti Ni - Pd intermetallics Journal of Physics IV France, 2003, 112, 727-730 |
| 1533016 | CIF | Ni0.53 Pd0.454 Ti1.016 | P m m b | 2.811; 4.421; 4.694 90; 90; 90 | 58.334 | Potapov, P.L.; Kulkova, S.E.; Shelyakov, A.V.; Schryvers, D.; Okutsu, K.; Miyazaki, S. Crystal structure of orthorhombic martensite in Ti Ni - Cu and Ti Ni - Pd intermetallics Journal of Physics IV France, 2003, 112, 727-730 |
| 1533017 | CIF | Ni0.5 Pd0.5 Ti | P m m b | 2.811; 4.421; 4.694 90; 90; 90 | 58.334 | Potapov, P.L.; Kulkova, S.E.; Shelyakov, A.V.; Okutsu, K.; Miyazaki, S.; Schryvers, D. Crystal structure of orthorhombic martensite in Ti Ni - Cu and Ti Ni - Pd intermetallics Journal of Physics IV France, 2003, 112, 727-730 |
| 1535151 | CIF | As13 F79 H24 La2 O8 | P 1 21/c 1 | 10.793; 28.59; 10.68 90; 109.31; 90 | 3110.15 | Mazej, Z.; Benkic, P.; Zemva, B.; Lutar, K. Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and (H3 O)4 La2 F (As F3)2 (As F6)9 Journal of Fluorine Chemistry, 2001, 112, 173-183 |
| 1535154 | CIF | As11 F61 H12 La2 O4 | P -1 | 10.648; 10.733; 12.139 75.53; 64.79; 70.07 | 1171.03 | Mazej, Z.; Benkic, P.; Lutar, K.; Zemva, B. Novel oxonium compounds of lanthanoids: synthesis of (H3 O)3 La2 F (As F6)8, and syntheses and crystal structures of (H3 O)8 La2 F (As F6)13 and (H3 O)4 La2 F (As F3)2 (As F6)9 Journal of Fluorine Chemistry, 2001, 112, 173-183 |
| 1536676 | CIF | Cl10 N3 P2 S Sb | P n m a | 12.694; 16.032; 8.764 90; 90; 90 | 1783.56 | Pohl, S.; Petersen, O.; Roesky, H.W. Thiadiazadiphosphorin Chemische Berichte, 1979, 112, 1545-1549 |
| 1539045 | CIF | Sb4 Th3 | I -4 3 d | 9.384; 9.384; 9.384 90; 90; 90 | 826.35 | Price, C.E.; Warren, I.H. Some X-ray and thermoelectric studies on cubic Th3 X4 compounds Journal of the Electrochemical Society, 1965, 112, 510-513 |
| 1544364 | CIF | O7 P2 Si | P 63 | 4.7158; 4.7158; 11.917 90; 90; 120 | 229.51 | Poojary, D.M.; Borade, R.B.; Campbell, III, F.L.; Clearfield, A. Crystal structure of silicon pyrophosphate (form I) from powder diffraction data Journal of Solid State Chemistry, 1994, 112, 106-112 |
| 1544426 | CIF | O3 Pb Ti0.55 Zr0.45 | P 4 m m | 4.026; 4.026; 4.1241 90; 90; 90 | 66.846 | Idemoto, Y.; Yoshikoshi, H.; Koura, N.; Takeuchi, K.; Richardson, Jr, J.W.; Loong, C.-K. Relation between the crystal structure, physical properties and ferroelectric properties of PbZrxTi1-xO3 (x=0.40, 0.45, 0.52) ferroelectric material by heat treatment Journal of the Ceramic Society of Japan, 2004, 112, 40-45 |
| 1544427 | CIF | Ce2 O7 Zr2 | F d -3 m | 10.75; 10.75; 10.75 90; 90; 90 | 1242 | Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H. Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5 Journal of the Ceramic Society of Japan, 2004, 112, 440-444 |
| 1544428 | CIF | Ce2 O7.5 Zr2 | F -4 3 m | 10.6451; 10.6451; 10.6451 90; 90; 90 | 1206.28 | Sasaki, T.; Ukyo, Y.; Kuroda, K.; Arai, S.; Muto, S.; Saka, H. Crystal structure of Ce2Zr2O7 and beta-Ce2Zr2O7.5 Journal of the Ceramic Society of Japan, 2004, 112, 440-444 |
| 1545052 | CIF | Al As2 Na O7 | P 1 21/c 1 | 6.9114; 8.1345; 9.5446 90; 107.51; 90 | 511.74 | Driss, Ahmed; Jouini, Tahar Structure cristalline de NaAlAs2O7 Journal of Solid State Chemistry, 1994, 112, 277-280 |
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