Crystallography Open Database

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Searching volume of publication is 112

COD ID: 1000360
CIF file Formula: - F32 Fe7 Na7 Sr2 -
Comments: 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 112 (1994) 82-91
Space group: F d d d :2
Cell volume: 5040.9
Cell parameters: 10.372; 10.805; 44.98; 90; 90; 90;  

COD ID: 1001606
CIF file Formula: - Fe2 O9 Pb1.01 Sr4 -
Comments: 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 112 (1994) 126-131
Space group: I 4/m m m
Cell volume: 454.4
Cell parameters: 3.84845; 3.84845; 30.68379; 90; 90; 90;  

COD ID: 1001607
CIF file Formula: - Ba Co1.6 Cu0.4 O5 Y -
Comments: 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 112 (1994) 148-156
Space group: P 4/m m m
Cell volume: 112.4
Cell parameters: 3.8724; 3.8724; 7.4953; 90; 90; 90;  

COD ID: 1001608
CIF file Formula: - Ba Co1.2 Cu0.8 O5 Y -
Comments: 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 112 (1994) 148-156
Space group: P 4/m m m
Cell volume: 112.5
Cell parameters: 3.8675; 3.8675; 7.5238; 90; 90; 90;  

COD ID: 1001609
CIF file Formula: - Ba Co1.1 Cu0.9 O5 Y -
Comments: 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 112 (1994) 148-156
Space group: P 4/m m m
Cell volume: 112.5
Cell parameters: 3.8666; 3.8666; 7.5266; 90; 90; 90;  

COD ID: 1001610
CIF file Formula: - Mo4 O22 P4 Rb3 -
Comments: 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 112 (1994) 15-21
Space group: C 2 2 21
Cell volume: 3889.2
Cell parameters: 14.222; 14.223; 19.22699; 90; 90; 90;  

COD ID: 1001611
CIF file Formula: - Ba Mo4 O16 P2 -
Comments: 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 112 (1994) 317-321
Space group: I -4 2 m
Cell volume: 623.3
Cell parameters: 7.475; 7.475; 11.156; 90; 90; 90;  

COD ID: 1001612
CIF file Formula: - Ba2.5 Bi1.5 Cu2 La O8.24 -
Comments: 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 112 (1994) 362-366
Space group: I 4/m m m
Cell volume: 483
Cell parameters: 3.9322; 3.9322; 31.23999; 90; 90; 90;  

COD ID: 1004101
CIF file Formula: - Bi0.75 O1.36 Sr0.25 -
Comments: 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 112 (1994) 1-8
Space group: R -3 m :H
Cell volume: 389.6
Cell parameters: 3.97; 3.97; 28.53999; 90; 90; 120;  

COD ID: 1004102
CIF file Formula: - Bi0.75 O1.36 Sr0.25 -
Comments: 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 112 (1994) 1-8
Space group: R -3 m :H
Cell volume: 394.2
Cell parameters: 3.983; 3.983; 28.68999; 90; 90; 120;  

COD ID: 1004103
CIF file Formula: - Bi0.75 O1.37 Sr0.25 -
Comments: 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 112 (1994) 1-8
Space group: R -3 m :H
Cell volume: 404.2
Cell parameters: 4.011; 4.011; 29.00999; 90; 90; 120;  

COD ID: 1006067
CIF file Formula: - La1.2 O4 U0.8 -
Comments: 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 112 (1994) 322-328
Space group: R -3 m :H
Cell volume: 254.2
Cell parameters: 3.94275; 3.94275; 18.87889; 90; 90; 120;  

COD ID: 1008659
CIF file Formula: - O4 Ru Sr2 -
Comments: 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 112 (1994) 355-361
Space group: I 4/m m m
Cell volume: 191
Cell parameters: 3.873; 3.873; 12.7323; 90; 90; 90;  

COD ID: 1008660
CIF file Formula: - O4 Ru Sr2 -
Comments: 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 112 (1994) 355-361
Space group: I 4/m m m
Cell volume: 189.8
Cell parameters: 3.86358; 3.86358; 12.7155; 90; 90; 90;  

COD ID: 1008661
CIF file Formula: - Ir O4 Sr2 -
Comments: 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 112 (1994) 355-361
Space group: I 41/a c d :1
Cell volume: 779.8
Cell parameters: 5.4994; 5.4994; 25.78409; 90; 90; 90;  

COD ID: 1008662
CIF file Formula: - Ir O4 Sr2 -
Comments: 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 112 (1994) 355-361
Space group: I 41/a c d :1
Cell volume: 776
Cell parameters: 5.48463; 5.48463; 25.7977; 90; 90; 90;  

COD ID: 1504348
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 423.62
Cell parameters: 7.7446; 9.3368; 5.8584; 90; 90; 90;  

COD ID: 1504349
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 435.72
Cell parameters: 7.8716; 9.404; 5.8862; 90; 90; 90;  

COD ID: 1504350
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 396.5
Cell parameters: 7.5572; 9.1829; 5.713; 90; 90; 90;  

COD ID: 1504351
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 377.85
Cell parameters: 7.3833; 9.0641; 5.6461; 90; 90; 90;  

COD ID: 1504352
CIF file Formula: - C19 H6 Cl N6 O3 Re -
Comments: 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 112(10) (2008) 3920
Space group: P n m a
Cell volume: 1943.9
Cell parameters: 9.841; 14.0813; 14.0276; 90; 90; 90;  

COD ID: 1504353
CIF file Formula: - C32 H16 F18 N3 O6 Sm -
Comments: 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 112(5) (2008) 803-807
Space group: P -1
Cell volume: 3739.08
Cell parameters: 11.5889; 17.5357; 18.8203; 79.3974; 84.1179; 88.0187;  

COD ID: 1504354
CIF file Formula: - C41 H22 F18 N5 O6 Sm -
Comments: 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 112(5) (2008) 803-807
Space group: P 1 21/n 1
Cell volume: 4731.9
Cell parameters: 11.69; 19.656; 20.63; 90; 93.412; 90;  

COD ID: 1504355
CIF file Formula: - C8 H11 F6 Li N2 O6 S2 -
Comments: 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 112(10) (2008) 2991-2995
Space group: P 1 21/c 1
Cell volume: 1602.5
Cell parameters: 10.105; 18.676; 8.512; 90; 94.012; 90;  

COD ID: 1504356
CIF file Formula: - C15 H22 N2 -
Comments: 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 112(13) (2008) 2749-2761
Space group: P 1 21 1
Cell volume: 1402.26
Cell parameters: 7.815; 22.2685; 8.2607; 90; 102.73; 90;  

COD ID: 1504357
CIF file Formula: - C5 H10 -
Comments: 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 112(12) (2008) 3746-3758
Space group: P 1 21/c 1
Cell volume: 470.2
Cell parameters: 9.578; 5.328; 10.018; 90; 113.12; 90;  

COD ID: 1504358
CIF file Formula: - C8 H18 F6 O6 P2 S2 -
Comments: 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 112(15) (2008) 3424-3431
Space group: R -3 m :H
Cell volume: 1298.62
Cell parameters: 9.1795; 9.1795; 17.7956; 90; 90; 120;  

COD ID: 1504359
CIF file Formula: - C28 H24 Cl2 N2 Pt -
Comments: Shao, Pin; Li, Yunjing; Sun, Wenfang Cyclometalated platinum(II) complex with strong and broadband nonlinear optical response. The journal of physical chemistry. A 112(6) (2008) 1172-1179
Space group: P 1 21/c 1
Cell volume: 2514.26
Cell parameters: 16.2361; 9.511; 17.9203; 90; 114.692; 90;  

COD ID: 1504360
CIF file Formula: - C11 H10 Fe O -
Comments: 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 112(13) (2008) 2977-2987
Space group: P 21 21 21
Cell volume: 907.9
Cell parameters: 7.639; 10.518; 11.3; 90; 90; 90;  

COD ID: 1504361
CIF file Formula: - C12 H14 Fe -
Comments: 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 112(13) (2008) 2977-2987
Space group: P 1 21/a 1
Cell volume: 991.5
Cell parameters: 10.954; 7.526; 12.334; 90; 102.81; 90;  

COD ID: 1504362
CIF file Formula: - C38 H46 Cu N20 O6 -
Comments: 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 112(19) (2008) 4465-4469
Space group: P -1
Cell volume: 1120.6
Cell parameters: 8.096; 9.908; 15.278; 96.055; 92.863; 112.48;  

COD ID: 1504363
CIF file Formula: - C55 H51 Cl3 N4 S8 -
Comments: 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 112(30) (2008) 11513
Space group: P -1
Cell volume: 2699.7
Cell parameters: 13.388; 13.833; 16.353; 80.08; 80.02; 65.63;  

COD ID: 1504364
CIF file Formula: - C31 H21 N O -
Comments: 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 112(10) (2008) 3975
Space group: P 1 21/c 1
Cell volume: 2421.4
Cell parameters: 18.807; 8.584; 16.555; 90; 115.041; 90;  

COD ID: 1504365
CIF file Formula: - C49 H34 N2 O -
Comments: 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 112(10) (2008) 3975
Space group: C 1 2/c 1
Cell volume: 8380.7
Cell parameters: 15.8751; 12.3295; 42.907; 90; 93.705; 90;  

COD ID: 1504366
CIF file Formula: - C16 H8 F6 N2 O -
Comments: 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 112(21) (2008) 7939
Space group: P b c a
Cell volume: 2853.2
Cell parameters: 15.064; 5.9041; 32.08; 90; 90; 90;  

COD ID: 1504367
CIF file Formula: - C18 H8 F6 N4 O2 -
Comments: 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 112(21) (2008) 7939
Space group: P -1
Cell volume: 834
Cell parameters: 4.9009; 13.141; 13.489; 102.305; 92.248; 99.742;  

COD ID: 1504368
CIF file Formula: - C16 F10 N4 O2 -
Comments: 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 112(21) (2008) 7939
Space group: P 1 21/c 1
Cell volume: 1559.91
Cell parameters: 13.5479; 5.8743; 19.6022; 90; 90.705; 90;  

COD ID: 1504369
CIF file Formula: - C29 H21 N3 S3 -
Comments: Nakagawa, Tetsuya; Hasegawa, Yasuchika; Kawai, Tsuyoshi Photoresponsive europium(III) complex based on photochromic reaction. The journal of physical chemistry. A 112(23) (2008) 5096-5103
Space group: P 1 21/c 1
Cell volume: 2452.6
Cell parameters: 13.4193; 10.3767; 17.7646; 90; 97.4801; 90;  

COD ID: 1504370
CIF file Formula: - C5 H7 O2 -
Comments: 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 112(29) (2008) 6667-6677
Space group: P b c n
Cell volume: 958.1
Cell parameters: 9.064; 9.227; 11.456; 90; 90; 90;  

COD ID: 1504371
CIF file Formula: - C5 H7 O2 -
Comments: 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 112(29) (2008) 6667-6677
Space group: P b c n
Cell volume: 953
Cell parameters: 9.062; 9.216; 11.411; 90; 90; 90;  

COD ID: 1504372
CIF file Formula: - C5 H7 O2 -
Comments: 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 112(29) (2008) 6667-6677
Space group: P b c n
Cell volume: 962.4
Cell parameters: 9.079; 9.247; 11.464; 90; 90; 90;  

COD ID: 1504373
CIF file Formula: - C5 H7 O2 -
Comments: 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 112(29) (2008) 6667-6677
Space group: P b c n
Cell volume: 964.9
Cell parameters: 9.099; 9.225; 11.495; 90; 90; 90;  

COD ID: 1504374
CIF file Formula: - C5 H7 O2 -
Comments: 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 112(29) (2008) 6667-6677
Space group: P b c n
Cell volume: 1008.6
Cell parameters: 9.12; 9.359; 11.817; 90; 90; 90;  

COD ID: 1504375
CIF file Formula: - C10 H14 O4 -
Comments: 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 112(29) (2008) 6667-6677
Space group: P b c n
Cell volume: 962.7
Cell parameters: 9.0859; 9.2413; 11.465; 90; 90; 90;  

COD ID: 1504376
CIF file Formula: - C25 H9 Cl3 N3 -
Comments: 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 112(21) (2008) 8005
Space group: P -1
Cell volume: 1283.1
Cell parameters: 10.926; 11.233; 12.501; 90.239; 114.539; 110.869;  

COD ID: 1504377
CIF file Formula: - C4 H8 N2 S2 -
Comments: 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 112(22) (2008) 5017-5023
Space group: C 1 2/c 1
Cell volume: 612.36
Cell parameters: 12.1589; 4.788; 10.7556; 90; 102.048; 90;  

COD ID: 1504378
CIF file Formula: - C H2 Cl I -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: P n m a
Cell volume: 360.19
Cell parameters: 6.315; 6.5616; 8.6926; 90; 90; 90;  

COD ID: 1504379
CIF file Formula: - C H2 Cl I -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: P n m a
Cell volume: 355.48
Cell parameters: 6.3026; 6.5131; 8.6599; 90; 90; 90;  

COD ID: 1504380
CIF file Formula: - C H2 Cl I -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: P n m a
Cell volume: 335.44
Cell parameters: 6.2105; 6.3402; 8.5189; 90; 90; 90;  

COD ID: 1504381
CIF file Formula: - C H2 I2 -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: F m m 2
Cell volume: 435.19
Cell parameters: 7.1819; 12.912; 4.693; 90; 90; 90;  

COD ID: 1504382
CIF file Formula: - C H2 I2 -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: F m m 2
Cell volume: 398.34
Cell parameters: 6.9208; 12.695; 4.5338; 90; 90; 90;  

COD ID: 1504383
CIF file Formula: - C2 H3 N -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: P 1 21/c 1
Cell volume: 249.97
Cell parameters: 3.9838; 8.1352; 7.8165; 90; 99.33; 90;  

COD ID: 1504384
CIF file Formula: - C2 H3 N -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: C m c 21
Cell volume: 247.08
Cell parameters: 6.0717; 5.2319; 7.7779; 90; 90; 90;  

COD ID: 1504385
CIF file Formula: - C2 H3 N -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: C m c 21
Cell volume: 224.2
Cell parameters: 5.833; 5.082; 7.563; 90; 90; 90;  

COD ID: 1504386
CIF file Formula: - C6 H9 N3 -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: P 1 21/n 1
Cell volume: 686.6
Cell parameters: 7.489; 7.882; 11.793; 90; 99.48; 90;  

COD ID: 1504387
CIF file Formula: - C21 H28 O14 -
Comments: 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 112(37) (2008) 14570
Space group: P 1 21 1
Cell volume: 5023.27
Cell parameters: 11.67891; 21.3027; 20.2268; 90; 93.4268; 90;  

COD ID: 1504388
CIF file Formula: - C20 H11 Au0.57 N6 Ni0.43 O2 S4 -
Comments: 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 112(35) (2008) 8009-8014
Space group: P 1 21/c 1
Cell volume: 2292.6
Cell parameters: 12.191; 26.626; 7.2551; 90; 103.22; 90;  

COD ID: 1504389
CIF file Formula: - C12 H22 O11 -
Comments: 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 112(30) (2008) 9105-9111
Space group: P 21 21 21
Cell volume: 1470.6
Cell parameters: 6.7999; 11.638; 18.583; 90; 90; 90;  

COD ID: 1504390
CIF file Formula: - C12 H26 O13 -
Comments: 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 112(30) (2008) 9105-9111
Space group: P 21 21 21
Cell volume: 1662
Cell parameters: 7.5969; 12.2305; 17.887; 90; 90; 90;  

COD ID: 1504391
CIF file Formula: - C36 H30 -
Comments: 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 112(24) (2008) 9066
Space group: I b a 2
Cell volume: 2652.4
Cell parameters: 10.608; 32.541; 7.6837; 90; 90; 90;  

COD ID: 1504392
CIF file Formula: - C52 H34 S2 -
Comments: 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 112(34) (2008) 13258
Space group: P -1
Cell volume: 1909.7
Cell parameters: 10.1667; 11.0179; 18.5125; 90.36; 96.885; 111.722;  

COD ID: 1504393
CIF file Formula: - C56 H34 S2 -
Comments: 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 112(34) (2008) 13258
Space group: P -1
Cell volume: 1981.6
Cell parameters: 11.3233; 12.086; 15.497; 79.217; 77.259; 75.312;  

COD ID: 1504394
CIF file Formula: - C H Cl3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P n m a
Cell volume: 400.8
Cell parameters: 7.4081; 9.4034; 5.754; 90; 90; 90;  

COD ID: 1504395
CIF file Formula: - C H Cl3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P 63
Cell volume: 199.7
Cell parameters: 5.8868; 5.8868; 6.6541; 90; 90; 120;  

COD ID: 1504396
CIF file Formula: - C H Br3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P 63
Cell volume: 252.2
Cell parameters: 6.3229; 6.3229; 7.285; 90; 90; 120;  

COD ID: 1504397
CIF file Formula: - C H Br3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P 63
Cell volume: 246.7
Cell parameters: 6.3119; 6.3119; 7.151; 90; 90; 120;  

COD ID: 1504398
CIF file Formula: - C32 H27 Cl3 Mn3 N3 O12 S -
Comments: 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 112(32) (2008) 9729-9735
Space group: P -1
Cell volume: 1863.9
Cell parameters: 11.5076; 13.8717; 14.1965; 117.336; 90.196; 109.517;  

COD ID: 1504399
CIF file Formula: - C85 H109 Mn6 N7 O26 S2 -
Comments: 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 112(32) (2008) 9729-9735
Space group: P -1
Cell volume: 2422.07
Cell parameters: 12.8647; 13.1373; 16.1689; 92.116; 101.617; 114.076;  

COD ID: 1504400
CIF file Formula: - Fe S -
Comments: Shen, Jian-Min; Feng, Yi-Tao Formation of Flower-Like Carbon Nanosheet Aggregations and Their Electrochemical Application Journal of Physical Chemistry C 112(34) (2008) 13114
Space group: P 63/m m c
Cell volume: 59.232
Cell parameters: 3.445; 3.445; 5.763; 90; 90; 120;  

COD ID: 1504401
CIF file Formula: - C65 H59.5 B2 F7 Ni O P3 -
Comments: 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 112(48) (2008) 12449-12455
Space group: P -1
Cell volume: 2857.9
Cell parameters: 13.318; 13.946; 17.017; 76.88; 68.233; 83.948;  

COD ID: 1504402
CIF file Formula: - B H4 Li -
Comments: 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 112(28) (2008) 10579
Space group: P n m a
Cell volume: 213.5
Cell parameters: 7.141; 4.431; 6.748; 90; 90; 90;  

COD ID: 1504403
CIF file Formula: - B H4 Li -
Comments: 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 112(28) (2008) 10579
Space group: P 63 m c
Cell volume: 113.88
Cell parameters: 4.3228; 4.3228; 7.0368; 90; 90; 120;  

COD ID: 1504404
CIF file Formula: - C125 H139 Br4 N4 O4 -
Comments: 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 112(28) (2008) 10559
Space group: P 1 21/n 1
Cell volume: 11128.6
Cell parameters: 16.3983; 31.037; 22.388; 90; 102.401; 90;  

COD ID: 1504405
CIF file Formula: - C12 H8 N2 -
Comments: 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 112(36) (2008) 8238-8253
Space group: P 1 21/n 1
Cell volume: 884.9
Cell parameters: 7.472; 8.749; 13.864; 90; 102.48; 90;  

COD ID: 1504406
CIF file Formula: - C11 H8 N2 -
Comments: 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 112(36) (2008) 8238-8253
Space group: F d d 2
Cell volume: 1733.5
Cell parameters: 12.839; 11.055; 12.213; 90; 90; 90;  

COD ID: 1504407
CIF file Formula: - C6 H16 Cu2 N4 O6 -
Comments: 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 112(38) (2008) 9050-9067
Space group: P b c a
Cell volume: 1216.07
Cell parameters: 8.3395; 8.5023; 17.1507; 90; 90; 90;  

COD ID: 1504408
CIF file Formula: - C6 H16 Cu2 N4 O6 -
Comments: 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 112(38) (2008) 9050-9067
Space group: P b c a
Cell volume: 1219.13
Cell parameters: 8.3459; 8.5084; 17.1684; 90; 90; 90;  

COD ID: 1504409
CIF file Formula: - C6 H16 Cu2 N4 O8 -
Comments: 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 112(38) (2008) 9050-9067
Space group: P 1 21/c 1
Cell volume: 634.35
Cell parameters: 8.8024; 8.0562; 9.2531; 90; 104.818; 90;  

COD ID: 1504410
CIF file Formula: - C8 H18 Cu2 N2 O6 -
Comments: 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 112(38) (2008) 9050-9067
Space group: P 1 21/c 1
Cell volume: 611.8
Cell parameters: 8.4758; 8.7735; 8.3445; 90; 99.616; 90;  

COD ID: 1504411
CIF file Formula: - C18 H15 Au Cl P -
Comments: 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 112(46) (2008) 11519-11522
Space group: P 21 21 21
Cell volume: 1608.84
Cell parameters: 10.1077; 12.2492; 12.9943; 90; 90; 90;  

COD ID: 1504412
CIF file Formula: - C18 H16 N2 S4 -
Comments: 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 112(51) (2008) 13672-13678
Space group: P -1
Cell volume: 1754.7
Cell parameters: 9.894; 13.952; 14.722; 106.546; 106.556; 103.482;  

COD ID: 1504413
CIF file Formula: - C19 H17 F3 N2 O3 S5 -
Comments: 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 112(51) (2008) 13672-13678
Space group: P -1
Cell volume: 1149.1
Cell parameters: 9.127; 11.4047; 11.902; 71.207; 82.276; 79.411;  

COD ID: 1504414
CIF file Formula: - C17 H13 F3 N2 O3 S5 -
Comments: 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 112(51) (2008) 13672-13678
Space group: C 1 2/c 1
Cell volume: 4062.3
Cell parameters: 21.068; 14.014; 14.368; 90; 106.74; 90;  

COD ID: 1504415
CIF file Formula: - C33 H30 Cl2 N4 O9 S8 -
Comments: 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 112(51) (2008) 13672-13678
Space group: P -1
Cell volume: 1984.2
Cell parameters: 12.3485; 13.1326; 15.2098; 69.981; 67.801; 62.584;  

COD ID: 1509469
CIF file Formula: - Ag N2 Na O4 -
Comments: 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 112 (1983) 281-284
Space group: F 2 2 2
Cell volume: 916.524
Cell parameters: 7.899; 10.847; 10.697; 90; 90; 90;  

COD ID: 1513964
CIF file Formula: - Li Mn2 O4 -
Comments: Berg, H.; Thomas, J. O.; Wen, L.; Farrington, G. C. A neutron diffraction study of Ni substituted Li Mn2 O4 Solid State Ionics 112 (1998) 165-168
Space group: F d -3 m :2
Cell volume: 561.7
Cell parameters: 8.251; 8.251; 8.251; 90; 90; 90;  

COD ID: 1524333
CIF file Formula: - C12 Bi Co3 O12 -
Comments: Etzrodt, G.; Boese, R.; Schmid, G. Darstellung und Untersuchung von Tris(tetracarbonylcobaltio)bismutan - ein Beitrag zur Frage der Existenz Bismuthaltiger Nonacarbonyltricobalt-Clusterverbindungen Chemische Berichte 112 (1979) 2574-2580
Space group: P 1 21/c 1
Cell volume: 3905.68
Cell parameters: 17.967; 17.428; 12.477; 90; 91.44; 90;  

COD ID: 1524709
CIF file Formula: - Fe2 Na3 S4 -
Comments: 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-) 112 (1981) 83-89
Space group: P n m a
Cell volume: 756.043
Cell parameters: 6.6333; 10.675; 10.677; 90; 90; 90;  

COD ID: 1533015
CIF file Formula: - Cu0.5 Ni0.5 Ti -
Comments: 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 112 (2003) 727-730
Space group: P m m b
Cell volume: 56.325
Cell parameters: 2.919; 4.288; 4.5; 90; 90; 90;  

COD ID: 1533016
CIF file Formula: - Ni0.53 Pd0.454 Ti1.016 -
Comments: 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 112 (2003) 727-730
Space group: P m m b
Cell volume: 58.334
Cell parameters: 2.811; 4.421; 4.694; 90; 90; 90;  

COD ID: 1533017
CIF file Formula: - Ni0.5 Pd0.5 Ti -
Comments: 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 112 (2003) 727-730
Space group: P m m b
Cell volume: 58.334
Cell parameters: 2.811; 4.421; 4.694; 90; 90; 90;  

COD ID: 1535151
CIF file Formula: - As13 F79 H24 La2 O8 -
Comments: 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 112 (2001) 173-183
Space group: P 1 21/c 1
Cell volume: 3110.15
Cell parameters: 10.793; 28.59; 10.68; 90; 109.31; 90;  

COD ID: 1535154
CIF file Formula: - As11 F61 H12 La2 O4 -
Comments: 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 112 (2001) 173-183
Space group: P -1
Cell volume: 1171.03
Cell parameters: 10.648; 10.733; 12.139; 75.53; 64.79; 70.07;  

COD ID: 1536676
CIF file Formula: - Cl10 N3 P2 S Sb -
Comments: Pohl, S.; Petersen, O.; Roesky, H.W. Thiadiazadiphosphorin Chemische Berichte 112 (1979) 1545-1549
Space group: P n m a
Cell volume: 1783.56
Cell parameters: 12.694; 16.032; 8.764; 90; 90; 90;  

COD ID: 1539045
CIF file Formula: - Sb4 Th3 -
Comments: Price, C.E.; Warren, I.H. Some X-ray and thermoelectric studies on cubic Th3 X4 compounds Journal of the Electrochemical Society 112 (1965) 510-513
Space group: I -4 3 d
Cell volume: 826.35
Cell parameters: 9.384; 9.384; 9.384; 90; 90; 90;  

COD ID: 1544364
CIF file Formula: - O7 P2 Si -
Comments: 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 112 (1994) 106-112
Space group: P 63
Cell volume: 229.51
Cell parameters: 4.7158; 4.7158; 11.917; 90; 90; 120;  

COD ID: 1544426
CIF file Formula: - O3 Pb Ti0.55 Zr0.45 -
Comments: 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 112 (2004) 40-45
Space group: P 4 m m
Cell volume: 66.846
Cell parameters: 4.026; 4.026; 4.1241; 90; 90; 90;  

COD ID: 1544427
CIF file Formula: - Ce2 O7 Zr2 -
Comments: 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 112 (2004) 440-444
Space group: F d -3 m
Cell volume: 1242
Cell parameters: 10.75; 10.75; 10.75; 90; 90; 90;  

COD ID: 1544428
CIF file Formula: - Ce2 O7.5 Zr2 -
Comments: 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 112 (2004) 440-444
Space group: F -4 3 m
Cell volume: 1206.28
Cell parameters: 10.6451; 10.6451; 10.6451; 90; 90; 90;  

COD ID: 1545052
CIF file Formula: - Al As2 Na O7 -
Comments: Driss, Ahmed; Jouini, Tahar Structure cristalline de NaAlAs2O7 Journal of Solid State Chemistry 112 (1994) 277-280
Space group: P 1 21/c 1
Cell volume: 511.74
Cell parameters: 6.9114; 8.1345; 9.5446; 90; 107.51; 90;  

COD ID: 1547867
CIF file Formula: - B2 Ca Fe0.369 Mg0.631 O5 -
Comments: Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I. Kurchatovite from the Fuka mine, Okayama Prefecture, Japan Journal of Mineralogical and Petrological Sciences 112 (2017) 159-165
Space group: P b c a
Cell volume: 2236.42
Cell parameters: 36.2342; 11.182; 5.5197; 90; 90; 90;  

COD ID: 1548549
CIF file Formula: - Mg O3 Si -
Comments: Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction Journal of Mineralogical and Petrological Sciences 112 (2017) 359-364
Space group: P b c n
Cell volume: 430.311
Cell parameters: 9.25655; 8.73919; 5.31939; 90; 90; 90;  

COD ID: 1548550
CIF file Formula: - Mg O3 Si -
Comments: Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction : DFT optimized structure (0 K) Journal of Mineralogical and Petrological Sciences 112 (2017) 359-364
Space group: P b c n
Cell volume: 430.651
Cell parameters: 9.2732; 8.7266; 5.3217; 90; 90; 90;  

COD ID: 1548551
CIF file Formula: - Mg O3 Si -
Comments: Kanzaki, M.; Xue, X. Protoenstatite in MgSiO3 samples prepared by conventional solid state reaction Journal of Mineralogical and Petrological Sciences 112 (2017) 359-364
Space group: P 1 21/c 1
Cell volume: 416.597
Cell parameters: 9.61327; 8.82246; 5.17455; 90; 108.331; 90;  

COD ID: 1550780
CIF file Formula: - Bi0.49 Mg3 Sb1.5 Te0.01 -
Comments: Kanno, Tsutomu; Tamaki, Hiromasa; Sato, Hiroki K.; Kang, Stephen Dongmin; Ohno, Saneyuki; Imasato, Kazuki; Kuo, Jimmy Jiahong; Snyder, G. Jeffrey; Miyazaki, Yuzuru Enhancement of average thermoelectric figure of merit by increasing the grain-size of Mg3.2Sb1.5Bi0.49Te0.01 Applied Physics Letters 112(3) (2018) 033903
Space group: P -3 m 1
Cell volume: 132.3
Cell parameters: 4.58315; 4.58315; 7.2728; 90; 90; 120;  

COD ID: 1566638
CIF file Formula: - D2 O -
Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics 112 (2000) 7169
Space group: P 41 21 2
Cell volume: 309.98
Cell parameters: 6.676; 6.676; 6.955; 90; 90; 90;  

COD ID: 1566639
CIF file Formula: - D2 O -
Comments: Lobban, C.; Finney, J. L.; Kuhs, W. F. The structure and ordering of ices III and V The Journal of Chemical Physics 112 (2000) 7169
Space group: A 1 2/a 1
Cell volume: 664.24
Cell parameters: 9.0926; 7.5409; 10.2547; 90; 109.144; 90;  

COD ID: 2002328
CIF file Formula: - Al4 Cu2 O7 -
Comments: Meyer, H; Mueller-Buschbaum, Hk Praeparation und roentgenographische Untersuchung eines neuen Kupfer- Oxoaluminats: Cu2 Al4 O7 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 112 (1981) 51-57
Space group: F -4 3 m
Cell volume: 529.5
Cell parameters: 8.09; 8.09; 8.09; 90; 90; 90;  

COD ID: 2002329
CIF file Formula: - Ca3 Ga4 O9 -
Comments: Schulze, A R; Mueller-Buschbaum, Hk Ueber Erdalkalimetalloxogallate (VIII) Synthese und Aufbau eines neuen Calciumoxogallats Ca3 Ga4 O9 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 112 (1981) 149-156
Space group: C m m 2
Cell volume: 1285.4
Cell parameters: 14.358; 16.825; 5.321; 90; 90; 90;  

COD ID: 4119079
CIF file Formula: - B6 Ho O18 Sc Sr6 -
Comments: Cox, J.R.; Douglas, A.K.; Alekel, T.; Schaffers, K.I.; Thompson, P.D. New structural class of solid-state oxide Journal of the American Chemical Society 112 (1990) 7068-7069
Space group: R -3 :H
Cell volume: 1211.34
Cell parameters: 12.285; 12.285; 9.268; 90; 90; 120;  

COD ID: 4124700
CIF file Formula: - Al12 N4.104 O96 Si36 -
Comments: Corbin, D.R.; Cox, D.E.; Abrams, L.; Jones, G.A.; Harrison, W.T.A.; Eddy, M.M.; Stucky, G.D. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO Journal of the American Chemical Society 112 (1990) 4821-4830
Space group: I -4 3 m
Cell volume: 2992.21
Cell parameters: 14.41; 14.41; 14.41; 90; 90; 90;  

COD ID: 4124701
CIF file Formula: - Al12 Ca3.948 O96 Si36 -
Comments: Corbin, D.R.; Abrams, L.; Stucky, G.D.; Eddy, M.M.; Harrison, W.T.A.; Jones, G.A.; Cox, D.E. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO Journal of the American Chemical Society 112 (1990) 4821-4830
Space group: I -4 3 m
Cell volume: 2809.19
Cell parameters: 14.11; 14.11; 14.11; 90; 90; 90;  

COD ID: 4124702
CIF file Formula: - Al12 Ca3.4 D5.2 O96 Si36 -
Comments: Corbin, D.R.; Abrams, L.; Stucky, G.D.; Jones, G.A.; Eddy, M.M.; Harrison, W.T.A.; Cox, D.E. Flexibility of the zeolite RHO framework. In situ X-ray and neutron powder structural characterization of divalent cation-exchanged zeolite RHO Journal of the American Chemical Society 112 (1990) 4821-4830
Space group: I -4 3 m
Cell volume: 2723.18
Cell parameters: 13.9645; 13.9645; 13.9645; 90; 90; 90;  

COD ID: 4124708
CIF file Formula: - C2 N2 Zn -
Comments: Hoskins, B.F.; Robson, R. Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 and Cd (C N)2 structures and the synthesis and structure of the diamond-related frame Journal of the American Chemical Society 112 (1990) 1546-1554
Space group: P -4 3 m
Cell volume: 205.4
Cell parameters: 5.9002; 5.9002; 5.9002; 90; 90; 90;  

COD ID: 4124709
CIF file Formula: - C2 Cd N2 -
Comments: Hoskins, B.F.; Robson, R. Design and construction of a class of scaffolding-like materials comprising infinite polymeric frameworks of 3Dlinked molecular rods. A reappraisal of the Zn (C N)2 & Cd (C N)2 structures & the synthesis & structure of the diamond-related framew Journal of the American Chemical Society 112 (1990) 1546-1554
Space group: P -4 3 m
Cell volume: 250.166
Cell parameters: 6.301; 6.301; 6.301; 90; 90; 90;  

COD ID: 5000159
CIF file Formula: - C8 H18 O2 -
Comments: Slovokhotov, Yu. L.; Timofeeva, T. V.; Antipin, M. Yu.; Struchkov, Yu. T. Distortion of "tetrahedral" C~3v~ coordination in the R~3~C–O moiety due to the reduction of molecular symmetry: X-ray, conformational, and quantum-chemical study Journal of Molecular Structure 112(1-2) (1984) 127-140
Space group: P 1 21/n 1
Cell volume: 990.2
Cell parameters: 8.181; 11.833; 10.392; 90; 100.17; 90;  

COD ID: 5910144
CIF file Formula: - Ag2 Te -
Comments: Frueh, A. J. The structure of Hessite, Ag2 Te-III Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 112 (1959) 44-52
Space group: P 1 21/c 1
Cell volume: 271.326
Cell parameters: 8.09; 4.48; 8.96; 90; 123.33; 90;  

COD ID: 6000678
CIF file Formula: - Ce2 H16 N6 O27 -
Comments: Guillou, N.; Auffredic, J. P.; Louer, D. Synthesis, crystal-structure, and thermal-behavior of Cerium(IV) oxide nitrate Ce2o(NO3)(6)(H2O)(6).2H2O Journal of Solid State Chemistry 112 (1994) 45-52
Space group: P 1 21/c 1
Cell volume: 1086.29
Cell parameters: 8.7233; 8.9397; 13.981; 90; 94.909; 90;  

COD ID: 6000686
CIF file Formula: - N O4 Y -
Comments: Pelloquin, D.; Louer, M.; Louer, D. Powder diffraction studies in the YONO3-Y2O3 system Journal of Solid State Chemistry 112 (1994) 182-188
Space group: P 4/n m m
Cell volume: 144.69
Cell parameters: 3.859; 3.859; 9.7161; 90; 90; 90;  

COD ID: 8104322
CIF file Formula: - O2 Si -
Comments: Shropshire, J.; Keat, P.P.; Vaughan, P.A. The crystal structure of keatite, a new form of silica Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979) 112 (1959) 409-413
Space group: P 41 21 2
Cell volume: 480.231
Cell parameters: 7.464; 7.464; 8.62; 90; 90; 90;  

COD ID: 9012072
CIF file Formula: - C H2 Ca O4 -
Comments: Effenberger, E. Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Substructure Monatshefte fur Chemie 112 (1981) 899-909
Space group: P 31 2 1
Cell volume: 242.574
Cell parameters: 6.0931; 6.0931; 7.5446; 90; 90; 120;  

COD ID: 9012073
CIF file Formula: - C H2 Ca O4 -
Comments: Effenberger, E. Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Superstructure Monatshefte fur Chemie 112 (1981) 899-909
Space group: P 31
Cell volume: 727.726
Cell parameters: 10.5536; 10.5536; 7.5446; 90; 90; 120;  

COD ID: 9012201
CIF file Formula: - Cs H6 In2 O14 P3 -
Comments: Dhingra, S. S.; Haushalter, R. C. Synthesis and crystal structure of the octahedral-tetrahedral framework indium phosphate Cs[In2(PO4)(HPO4)2(H2O)2] Journal of Solid State Chemistry 112 (1994) 96-99
Space group: P 1 21/c 1
Cell volume: 1200.32
Cell parameters: 6.58; 18.092; 10.18; 90; 97.92; 90;  

COD ID: 9012202
CIF file Formula: - Ag7 As S6 -
Comments: Pertlik, F. Hydrothermal synthesis and crystal structure determination of heptasilver(I)-disulfur-tetrathioarsenate(V), Ag7S2(AsS4), with a survey on thioarsenate anions Locality: synthetic Journal of Solid State Chemistry 112 (1994) 170-175
Space group: P 21 3
Cell volume: 1149.38
Cell parameters: 10.475; 10.475; 10.475; 90; 90; 90;  


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