Crystallography Open Database

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Searching volume of publication is 2

COD ID: 1000035
CIF file Formula: - Al0.34 Ca0.6 Fe0.2 Mg0.9 Na0.1 O6 Si1.82 -
Comments: Clark, J R; Appleman, D E; Papike, J J Crystal-Chemical Characterization of Clinopyroxenes based on Eight New Structure Refinements Mineralogical Society of America: Special Papers 2 (1969) 31-50
Space group: C 1 2/c 1
Cell volume: 432.5
Cell parameters: 9.699; 8.844; 5.272; 90; 106.97; 90;  

COD ID: 1000285
CIF file Formula: - Bi2 Ca Cu2 O8 Sr2 -
Comments: Hervieu, M; Michel, C; Domenges, B; Laligant, Y; Lebail, A; Ferey, G; Raveau, B Electron microscopy study of the superconductor "Bi~2~ Sr~2~ Ca Cu~2~ O~8~" Modern Physics Letters B 2 (1988) 491-500
Space group: A m a a
Cell volume: 896.8
Cell parameters: 5.4054; 5.4016; 30.7152; 90; 90; 90;  

COD ID: 1000439
CIF file Formula: - F4 Fe Rb -
Comments: Moron, M C; Bulou, A; Pique, C; Fourquet, J L Structural phase transitions in Rb Fe F4: I.Powder and single crystal X- ray diffraction study of the room temperature phase Journal of Physics: Condensed Matter 2 (1990) 8269-8275
Space group: P m a b
Cell volume: 367.3
Cell parameters: 7.6651; 7.6316; 6.2789; 90; 90; 90;  

COD ID: 1000467
CIF file Formula: - Al F3 -
Comments: Daniel, Ph; Bulou, A; Rousseau, M; Nouet, J; Fourquet, J L; Leblanc, M; Burriel, R A study of the structural phase transitions in Al F3: X-ray powder diffraction, DSC and Raman scattering investigations of the lattice dynamics and phonon spectrum Journal of Physics: Condensed Matter 2 (1990) 5663-5677
Space group: R -3 c :H
Cell volume: 262
Cell parameters: 4.9305; 4.9305; 12.4462; 90; 90; 120;  

COD ID: 1001420
CIF file Formula: - Ba2 Ca1.07 Cu2 O8 Tl1.93 -
Comments: Maignan, A; Michel, C; Hervieu, M; Martin, C; Groult, D; Raveau, B Tl~2~Ba~2~CaCu~2~O~8~: structure and superconductivity Modern Physics Letters B 2 (1988) 681-687
Space group: I 4/m m m
Cell volume: 437.9
Cell parameters: 3.86; 3.86; 29.388; 90; 90; 90;  

COD ID: 1001508
CIF file Formula: - Ba4 Na2 Nb10 O30 -
Comments: Labbe, P; Leligny, H; Raveau, B; Schneck, J; Toledano, J C X-ray structural determination of the quasi-commensurate phase of barium sodium niobate Journal of Physics: Condensed Matter 2 (1989) 25-43
Space group: B b m 2
Cell volume: 4952.3
Cell parameters: 35.1869; 17.6202; 7.9876; 90; 90; 90;  

COD ID: 1004010
CIF file Formula: - C6 H18 Al F5 N2 -
Comments: S.P.Thanh; J.Renaudin; V.Maisonneuve Solid State Sciences 2 (2000) 143
Space group: P 1 21 1
Cell volume: 536.182
Cell parameters: 7.898; 5.514; 12.672; 90; 103.69; 90;  

COD ID: 1004098
CIF file Formula: - Cl6 H2 In K3 O -
Comments: Wignacourt, J - P; Nowogrocki, G; Mairesse, G; Barbier, P Evidence for ionic isomerism in complex salts. X-ray evidence in K~3~InCl~6~.H~2~O Reviews in Inorganic Chemistry 2 (1980) 207-217
Space group: I 4 m m
Cell volume: 4466.9
Cell parameters: 15.723; 15.723; 18.069; 90; 90; 90;  

COD ID: 1006028
CIF file Formula: - Bi2 Cu O4 -
Comments: Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Space group: P 4/n c c :2
Cell volume: 418.7
Cell parameters: 8.4989; 8.4989; 5.7973; 90; 90; 90;  

COD ID: 1006029
CIF file Formula: - Bi2 Cu O4 -
Comments: Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Space group: P 4/n c c :2
Cell volume: 418.8
Cell parameters: 8.4988; 8.4988; 5.7976; 90; 90; 90;  

COD ID: 1006030
CIF file Formula: - Bi2 Cu O4 -
Comments: Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Space group: P 4/n c c :2
Cell volume: 418.9
Cell parameters: 8.4987; 8.4987; 5.7999; 90; 90; 90;  

COD ID: 1006031
CIF file Formula: - Bi2 Cu O4 -
Comments: Garcia Munoz, J L; Rodriguez Carvajal, J; Sapina, F; Sanchis, M J; Ibanez, R; Beltran Porter, D Crystal and magnetic structures of Bi~2~CuO~4~ Journal of Physics: Condensed Matter 2 (1990) 2205-2214
Space group: P 4/n c c :2
Cell volume: 420.9
Cell parameters: 8.5039; 8.5039; 5.8202; 90; 90; 90;  

COD ID: 1007040
CIF file Formula: - Ho O14 P5 -
Comments: Bagieu, M; Tordjman, I; Durif, A; Bassi, G Holmium ultraphosphate, Ho P~5~ O~14~ Crystal Structure Communications 2 (1973) 387-390
Space group: C 1 2/c 1
Cell volume: 2043.2
Cell parameters: 12.881; 12.771; 12.424; 90; 91.34; 90;  

COD ID: 1007056
CIF file Formula: - Cd3 H28 O32 P6 -
Comments: Averbuch-Pouchot, M T; Durif, A; Tordjman, I Cadmium trimetaphosphate tetradecahydrate, Cd~3~ (P~3~ O~9~)~2~ (H~2~ O)~14~ Crystal Structure Communications 2 (1973) 89-90
Space group: P -3
Cell volume: 705.9
Cell parameters: 12.228; 12.228; 5.451; 90; 90; 120;  

COD ID: 1008610
CIF file Formula: - F2.05 Pb0.975 Th0.025 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 210.2
Cell parameters: 5.9454; 5.9454; 5.9454; 90; 90; 90;  

COD ID: 1008611
CIF file Formula: - F2.1 Pb0.95 Th0.05 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 210.3
Cell parameters: 5.9465; 5.9465; 5.9465; 90; 90; 90;  

COD ID: 1008612
CIF file Formula: - F2.2 Pb0.9 Th0.1 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 210.9
Cell parameters: 5.9528; 5.9528; 5.9528; 90; 90; 90;  

COD ID: 1008613
CIF file Formula: - F2.25 Pb0.875 Th0.125 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 211.4
Cell parameters: 5.957; 5.957; 5.957; 90; 90; 90;  

COD ID: 1008614
CIF file Formula: - F2.3 Pb0.85 Th0.15 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 211.5
Cell parameters: 5.9581; 5.9581; 5.9581; 90; 90; 90;  

COD ID: 1008615
CIF file Formula: - F2.4 Pb0.8 Th0.2 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffraction de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 212.2
Cell parameters: 5.9644; 5.9644; 5.9644; 90; 90; 90;  

COD ID: 1008616
CIF file Formula: - F2.46 Pb0.77 Th0.23 -
Comments: Soubeyroux, J L; Reau, J M; Matar, S; Hagenmueller, P; Lucat, C Etude par diffracton de neutrons de la solution solide Pb~1-x~ Th~x~ F~2+2x~ Solid State Ionics 2 (1981) 215-229
Space group: F m -3 m
Cell volume: 212.6
Cell parameters: 5.9687; 5.9687; 5.9687; 90; 90; 90;  

COD ID: 1008794
CIF file Formula: - Co F6 Zr -
Comments: Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study Journal of Physics: Condensed Matter 2 (1990) 7373-7386
Space group: R -3 :H
Cell volume: 361.8
Cell parameters: 5.466; 5.466; 13.982; 90; 90; 120;  

COD ID: 1008795
CIF file Formula: - Co F6 Zr -
Comments: Rodriguez, V; Couzi, M; Tressaud, A; Grannec, J; Chaminade, J P; Soubeyroux, J L Structural phase transition in the ordered fluorides M(II) Zr F6 (M(II) = Co, Zn) : I.Structural study Journal of Physics: Condensed Matter 2 (1990) 7373-7386
Space group: F m -3 m
Cell volume: 509.9
Cell parameters: 7.989; 7.989; 7.989; 90; 90; 90;  

COD ID: 1008939
CIF file Formula: - Fe Nd O4 Sr -
Comments: Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4 Journal of Solid State Chemistry 2 (1970) 343-346
Space group: I 4/m m m
Cell volume: 186.3
Cell parameters: 3.846; 3.846; 12.594; 90; 90; 90;  

COD ID: 1008940
CIF file Formula: - Fe Nd O4 Sr -
Comments: Joubert, J C; Collomb, A; Elmaleh, D; le Flem, G; Daoudi, A; Ollivier, G Sur quelques nouveaux oxydes mixtes de strontium et d'elements de transition du type K2 Ni F4 Journal of Solid State Chemistry 2 (1970) 343-346
Space group: I 4/m m m
Cell volume: 186.3
Cell parameters: 3.846; 3.846; 12.594; 90; 90; 90;  

COD ID: 1009075
CIF file Formula: - O5 S2 Sm2 Ti2 -
Comments: Boyer, C; Deudon, C; Meerschaut, A Synthesis and structure determination of the new Sm2 Ti2 O5 S2 compound C. R. Acad. Sci. Paris, T. 1, Serie II 2 (1999) 93-99
Space group: I 4/m m m
Cell volume: 334.9
Cell parameters: 3.819; 3.819; 22.96399; 90; 90; 90;  

COD ID: 1010304
CIF file Formula: - H6 N O2 P -
Comments: Zachariasen, W H; Mooney, R C L The Structure of the Hypophosphite Group as Determined from the Crystal Lattice of Ammonium Hypophosphite Journal of Chemical Physics 2 (1934) 34-37
Space group: A b m m
Cell volume: 345.6
Cell parameters: 3.98; 7.57; 11.47; 90; 90; 90;  

COD ID: 1010322
CIF file Formula: - Ag0.5 Au0.5 Cl3 Cs -
Comments: Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics 2 (1934) 419-421
Space group: P -4 3 m
Cell volume: 151.4
Cell parameters: 5.33; 5.33; 5.33; 90; 90; 90;  

COD ID: 1010323
CIF file Formula: - Au Cl3 Cs -
Comments: Elliott, N The Crystal Structure and Magnetic Susceptibility of Caesium Argentous Auric Chloride, Cs~2~ Ag Au Cl~6~, and Caesium Aurous Auric Chloride, Cs~2~ Au Au Cl~6~ Journal of Chemical Physics 2 (1934) 419-421
Space group: P -4 3 m
Cell volume: 151.4
Cell parameters: 5.33; 5.33; 5.33; 90; 90; 90;  

COD ID: 1100033
CIF file Formula: - N Ti -
Comments: Ehrlich, P; Juza, R Fiat Review of German Science 2 (1948) 64-64
Space group: F m -3 m
Cell volume: 76.3
Cell parameters: 4.242; 4.242; 4.242; 90; 90; 90;  

COD ID: 1100427
CIF file Formula: - C48 H108 Li12 O24 -
Comments: Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael [Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid Chemistry - A European Journal 2(5) (1996) 604-607
Space group: R -3 :H
Cell volume: 5432.67
Cell parameters: 20.799; 20.799; 14.501; 90; 90; 120;  

COD ID: 1101045
CIF file Formula: - N Ti -
Comments: Ehrlich, P; Juza, R Review of German Science, 1939-1946, Inorganic Chemistry. Fiat Review of German Science 2 (1948) 64-64
Space group: F m -3 m
Cell volume: 76.4
Cell parameters: 4.244; 4.244; 4.244; 90; 90; 90;  

COD ID: 1507213
CIF file Formula: - C48 H96 Al21 Na21 O216 Si75 -
Comments: Baerlocher, Ch.; McCusker, L.B.; Chiappetta, R. Location of the 18-crown-6 template in EMC-2 (EMT). Rietveld refinement of the calcined ans as-synthesized forms Microporous Materials 2 (1994) 269-280
Space group: P 63/m m c
Cell volume: 7207.3
Cell parameters: 17.215; 17.215; 28.082; 90; 90; 120;  

COD ID: 1507546
CIF file Formula: - C17 H21 N O4 -
Comments: McAuley, Barry J.; Nieuwenhuyzen, Mark; Sheldrake, Gary N. An Unusual Samarium Diiodide Mediated Reductive Ring Contraction of a Tricyclic Oxazine to a Highly-Functionalized Cyclopentane and Cyclobutane Organic Letters 2(10) (2000) 1457
Space group: P 1 21 1
Cell volume: 774.3
Cell parameters: 11.335; 5.24; 13.442; 90; 104.1; 90;  

COD ID: 1507547
CIF file Formula: - C5 H7 N O3 -
Comments: Cheng, Jianjun; Ziller, Joseph W.; Deming, Timothy J. Synthesis of Optically Active β-Amino AcidN-Carboxyanhydrides Organic Letters 2(13) (2000) 1943
Space group: C 1 2 1
Cell volume: 1169.48
Cell parameters: 18.672; 9.6069; 6.5761; 90; 97.519; 90;  

COD ID: 1507548
CIF file Formula: - C17 H27 N O3 -
Comments: Deiters, Alexander; Mück-Lichtenfeld, Christian; Fröhlich, Roland; Hoppe, Dieter Asymmetric Synthesis of a (2Z,7E)-Cyclononadiene by an Intramolecular Cycloalkylation and Insight to Its Conformational Properties Organic Letters 2(16) (2000) 2415
Space group: P -1
Cell volume: 853.7
Cell parameters: 7.295; 10.9; 11.366; 76.21; 88.53; 76.68;  

COD ID: 1507549
CIF file Formula: - C80 H100 F12 N4 O20 P2 -
Comments: Chang, Theresa; Heiss, Aaron M.; Cantrill, Stuart J.; Fyfe, Matthew C. T.; Pease, Anthony R.; Rowan, Stuart J.; Stoddart, J. Fraser; Williams, David J. Toward Interlocked Molecules beyond Catenanes and Rotaxanes Organic Letters 2(19) (2000) 2943
Space group: P 1 21 1
Cell volume: 4115.6
Cell parameters: 12.044; 25.471; 14.6318; 90; 113.524; 90;  

COD ID: 1507550
CIF file Formula: - C19 H20 N2 O S2 -
Comments: Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T. A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes Organic Letters 2(24) (2000) 3785
Space group: C 1 2/c 1
Cell volume: 3452
Cell parameters: 27.3; 9.301; 17.584; 90; 129.37; 90;  

COD ID: 1507551
CIF file Formula: - C19 H20 N2 O -
Comments: Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T. A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes Organic Letters 2(24) (2000) 3785
Space group: P 21 21 21
Cell volume: 1514.7
Cell parameters: 7.5911; 13.9115; 14.3428; 90; 90; 90;  

COD ID: 1507552
CIF file Formula: - C10 H14 O3 -
Comments: Paczkowski, Ralph; Maichle-Mössmer, Cäcilia; Maier, Martin E. A Formal Total Synthesis of Dysidiolide Organic Letters 2(25) (2000) 3967
Space group: C 1 2/c 1
Cell volume: 1946
Cell parameters: 24.808; 5.9534; 13.2719; 90; 96.887; 90;  

COD ID: 1507553
CIF file Formula: - C15 H15 N2 O4 -
Comments: Gunda, Tamas E. Rearrangement and Degradation of Cephalosporins and Penicillins in the Presence of Mercury(II) Trifluoroacetate Organic Letters 2(2) (2000) 103
Space group: P 1 21/n 1
Cell volume: 1541.25
Cell parameters: 16.744; 4.719; 19.995; 90; 102.7; 90;  

COD ID: 1507554
CIF file Formula: - C22 H23 N O4 -
Comments: Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes Organic Letters 2(5) (2000) 585
Space group: P 32
Cell volume: 2948.8
Cell parameters: 11.144; 11.144; 27.418; 90; 90; 120;  

COD ID: 1507756
CIF file Formula: - Ba O3 Ti -
Comments: Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics 2 (2011) 1420-1428
Space group: P 4 m m
Cell volume: 64.269
Cell parameters: 3.9999; 3.9999; 4.017; 90; 90; 90;  

COD ID: 1507757
CIF file Formula: - Ba O3 Ti -
Comments: Natheer B. Mahmood; Emad K. Al-Shakarchi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics 2 (2011) 1420-1428
Space group: P m -3 m
Cell volume: 64.351
Cell parameters: 4.0073; 4.0073; 4.0073; 90; 90; 90;  

COD ID: 1508004
CIF file Formula: - C40 H60 Hf2 N2 Si2 -
Comments: Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry 2(1) (2010) 30-35
Space group: P 1 21/n 1
Cell volume: 3984.5
Cell parameters: 11.2764; 26.267; 13.5398; 90; 96.524; 90;  

COD ID: 1508005
CIF file Formula: - C42 H60 Hf2 N2 O2 Si2 -
Comments: Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry 2(1) (2010) 30-35
Space group: P -1
Cell volume: 2052.5
Cell parameters: 8.7137; 13.6257; 17.4952; 96.123; 92.498; 95.596;  

COD ID: 1508006
CIF file Formula: - C41 H60 Hf2 N2 O Si2 -
Comments: Knobloch, Donald J.; Lobkovsky, Emil; Chirik, Paul J. Dinitrogen cleavage and functionalization by carbon monoxide promoted by a hafnium complex. Nature chemistry 2(1) (2010) 30-35
Space group: P -1
Cell volume: 2002.83
Cell parameters: 10.7033; 13.8345; 14.9713; 91.954; 104.98; 109.366;  

COD ID: 1508007
CIF file Formula: - C17 H26 O -
Comments: Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry 2(2) (2010) 125-130
Space group: P 21 21 21
Cell volume: 1516.78
Cell parameters: 6.5955; 7.882; 29.1769; 90; 90; 90;  

COD ID: 1508008
CIF file Formula: - C15 H20 O2 -
Comments: Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry 2(2) (2010) 125-130
Space group: C 1 2/c 1
Cell volume: 2625.78
Cell parameters: 15.7972; 6.3827; 26.214; 90; 96.5673; 90;  

COD ID: 1508009
CIF file Formula: - C34 H52 O -
Comments: Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds. Nature chemistry 2(2) (2010) 125-130
Space group: P 1 21 1
Cell volume: 2890.41
Cell parameters: 16.2591; 9.4526; 18.8939; 90; 95.508; 90;  

COD ID: 1508010
CIF file Formula: - C56 H48 F24 N2 O4 Si2 -
Comments: Kano, Naokazu; Miyake, Hideaki; Sasaki, Keishi; Kawashima, Takayuki; Mizorogi, Naomi; Nagase, Shigeru Dianionic species with a bond consisting of two pentacoordinated silicon atoms. Nature chemistry 2(2) (2010) 112-116
Space group: C 1 2/c 1
Cell volume: 5432
Cell parameters: 17.113; 16.1501; 20.618; 90; 107.588; 90;  

COD ID: 1508011
CIF file Formula: - C21 H24 N2 O -
Comments: Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M. A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres. Nature chemistry 2(3) (2010) 192-196
Space group: P 21 21 21
Cell volume: 1819.38
Cell parameters: 10.2994; 12.6537; 13.9603; 90; 90; 90;  

COD ID: 1508012
CIF file Formula: - C21 H24 N2 O -
Comments: Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M. A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres. Nature chemistry 2(3) (2010) 192-196
Space group: P 1 21 1
Cell volume: 1827.29
Cell parameters: 6.7294; 15.7191; 17.4651; 90; 98.474; 90;  

COD ID: 1508013
CIF file Formula: - C4 H16 Ga2 N2 O S7 Sb2 -
Comments: Ding, Nan; Kanatzidis, Mercouri G. Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide. Nature chemistry 2(3) (2010) 187-191
Space group: P 1 21 1
Cell volume: 1028.7
Cell parameters: 9.1374; 10.0229; 11.704; 90; 106.312; 90;  

COD ID: 1508014
CIF file Formula: - Cs2 Ga2 S7 Sb2 -
Comments: Ding, Nan; Kanatzidis, Mercouri G. Selective incarceration of caesium ions by Venus flytrap action of a flexible framework sulfide. Nature chemistry 2(3) (2010) 187-191
Space group: C 1 2 1
Cell volume: 1641.1
Cell parameters: 15.591; 9.1815; 12.575; 90; 114.26; 90;  

COD ID: 1508015
CIF file Formula: - C54 Cl8 -
Comments: Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry 2(4) (2010) 269-273
Space group: C 1 2/c 1
Cell volume: 3132.2
Cell parameters: 18.57; 10.7448; 16.801; 90; 110.877; 90;  

COD ID: 1508016
CIF file Formula: - C59.5 H4 Cl12 -
Comments: Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry 2(4) (2010) 269-273
Space group: P 1 21/c 1
Cell volume: 7982
Cell parameters: 17.919; 36.241; 12.291; 90; 90.174; 90;  

COD ID: 1508017
CIF file Formula: - C66 Cl6 -
Comments: Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry 2(4) (2010) 269-273
Space group: P 1 21/n 1
Cell volume: 3437.8
Cell parameters: 10.812; 19.202; 17.156; 90; 105.162; 90;  

COD ID: 1508018
CIF file Formula: - C285 H23 Cl40 -
Comments: Tan, Yuan-Zhi; Li, Jia; Zhu, Feng; Han, Xiao; Jiang, Wen-Sheng; Huang, Rong-Bin; Zheng, Zhiping; Qian, Zhuo-Zhen; Chen, Rui-Ting; Liao, Zhao-Jiang; Xie, Su-Yuan; Lu, Xin; Zheng, Lan-Sun Chlorofullerenes featuring triple sequentially fused pentagons. Nature chemistry 2(4) (2010) 269-273
Space group: P -1
Cell volume: 4319.6
Cell parameters: 12.3298; 18.7616; 19.4956; 96.637; 100.007; 100.282;  

COD ID: 1508019
CIF file Formula: - C29 H25 N5 -
Comments: Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry 2(5) (2010) 362-368
Space group: A b a 2
Cell volume: 2246.9
Cell parameters: 17.919; 15.19; 8.255; 90; 90; 90;  

COD ID: 1508020
CIF file Formula: - C31 H28 F12 N6 O0 P2 V -
Comments: Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry 2(5) (2010) 362-368
Space group: P -1
Cell volume: 1690.4
Cell parameters: 11.55; 12.579; 13.191; 110.056; 108.607; 90.638;  

COD ID: 1508021
CIF file Formula: - C75 H64 F18 N13 P3 V2 -
Comments: Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry 2(5) (2010) 362-368
Space group: P 1 21/n 1
Cell volume: 7135.4
Cell parameters: 21.554; 14.9192; 24.647; 90; 115.805; 90;  

COD ID: 1508022
CIF file Formula: - C78 H79.5 F18 N15.5 O P3 V2 -
Comments: Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry 2(5) (2010) 362-368
Space group: P 1 21/c 1
Cell volume: 8147.3
Cell parameters: 13.8924; 38.601; 15.8142; 90; 106.114; 90;  

COD ID: 1508023
CIF file Formula: - C81 H84 F24 N17 O P4 V2 -
Comments: Bechlars, Bettina; D'Alessandro, Deanna M; Jenkins, David M.; Iavarone, Anthony T.; Glover, Starla D.; Kubiak, Clifford P.; Long, Jeffrey R. High-spin ground states via electron delocalization in mixed-valence imidazolate-bridged divanadium complexes. Nature chemistry 2(5) (2010) 362-368
Space group: P c a 21
Cell volume: 8889.8
Cell parameters: 23.4395; 21.7426; 17.4435; 90; 90; 90;  

COD ID: 1508024
CIF file Formula: - C42 H40 F24 N12 P4 -
Comments: Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L. A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace. Nature chemistry 2(5) (2010) 406-409
Space group: P -1
Cell volume: 1269.6
Cell parameters: 9.832; 10.944; 12.335; 94.45; 97.04; 104.09;  

COD ID: 1508025
CIF file Formula: - C40 H37 F24 N11 P4 -
Comments: Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L. A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace. Nature chemistry 2(5) (2010) 406-409
Space group: P -1
Cell volume: 2499.1
Cell parameters: 12.2809; 14.7942; 15.6032; 64.702; 86.784; 77.402;  

COD ID: 1508026
CIF file Formula: - C46 H47 F18 N10 O8 P3 -
Comments: Gong, Han-Yuan; Rambo, Brett M.; Karnas, Elizabeth; Lynch, Vincent M.; Sessler, Jonathan L. A 'Texas-sized' molecular box that forms an anion-induced supramolecular necklace. Nature chemistry 2(5) (2010) 406-409
Space group: P -1
Cell volume: 1220.7
Cell parameters: 9.6484; 10.886; 12.208; 107.06; 92.25; 93.86;  

COD ID: 1508027
CIF file Formula: - C36 H41 F3 O3 P2 Pd S -
Comments: Wassenaar, Jeroen; Jansen, Eveline; van Zeist, Willem-Jan; Bickelhaupt, F. Matthias; Siegler, Maxime A.; Spek, Anthony L.; Reek, Joost N. H. Catalyst selection based on intermediate stability measured by mass spectrometry. Nature chemistry 2(5) (2010) 417-421
Space group: P -1
Cell volume: 3436.2
Cell parameters: 10.9546; 11.5774; 30.591; 85.323; 81.59; 63.569;  

COD ID: 1508028
CIF file Formula: - C70 H70 B F20 N2 P2 -
Comments: Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature chemistry 2(5) (2010) 369-373
Space group: P 1 21/c 1
Cell volume: 7156.1
Cell parameters: 13.2289; 23.185; 23.482; 90; 96.49; 90;  

COD ID: 1508029
CIF file Formula: - C84 H77 B F21 N4 P2 -
Comments: Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature chemistry 2(5) (2010) 369-373
Space group: P 1 21/n 1
Cell volume: 8133.7
Cell parameters: 12.4547; 39.76; 16.5856; 90; 97.978; 90;  

COD ID: 1508030
CIF file Formula: - C28 H36 F3 N2 O3 P S -
Comments: Back, Olivier; Donnadieu, Bruno; Parameswaran, Pattiyil; Frenking, Gernot; Bertrand, Guy Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature chemistry 2(5) (2010) 369-373
Space group: P -1
Cell volume: 1435.93
Cell parameters: 11.9641; 12.3049; 12.6616; 88.469; 62.462; 63.204;  

COD ID: 1508031
CIF file Formula: - C40 H40 Ag26 N60 O80 P2 W24 -
Comments: Kuang, Xiaofei; Wu, Xiaoyuan; Yu, Rongmin; Donahue, James P.; Huang, Jinshun; Lu, Can-Zhong Assembly of a metal-organic framework by sextuple intercatenation of discrete adamantane-like cages. Nature chemistry 2(6) (2010) 461-465
Space group: P n -3 m :2
Cell volume: 7225.9
Cell parameters: 19.3329; 19.3329; 19.3329; 90; 90; 90;  

COD ID: 1508032
CIF file Formula: - C24 N3 O40 P V2 W10 -
Comments: Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate. Nature chemistry 2(6) (2010) 478-483
Space group: P b c n
Cell volume: 7600.92
Cell parameters: 15.5486; 21.1547; 23.1083; 90; 90; 90;  

COD ID: 1508033
CIF file Formula: - C126 H140 B2 N3 O8 -
Comments: Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting. Nature chemistry 2(6) (2010) 444-449
Space group: P c c 2
Cell volume: 12117
Cell parameters: 15.13; 25.587; 31.3; 90; 90; 90;  

COD ID: 1508034
CIF file Formula: - C126 H142 B2 N7 Na O8 -
Comments: Miwa, Kazuhiro; Furusho, Yoshio; Yashima, Eiji Ion-triggered spring-like motion of a double helicate accompanied by anisotropic twisting. Nature chemistry 2(6) (2010) 444-449
Space group: P 1 21/c 1
Cell volume: 11150
Cell parameters: 15.661; 27.148; 26.357; 90; 95.726; 90;  

COD ID: 1508035
CIF file Formula: - C37 H57 F3 Fe N2 O3 P3 S Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 21 21 21
Cell volume: 4033.6
Cell parameters: 13.582; 14.3581; 20.6839; 90; 90; 90;  

COD ID: 1508036
CIF file Formula: - C98 H81 B F24 Fe N O3 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 n 1
Cell volume: 4619.43
Cell parameters: 13.2539; 16.3059; 21.3757; 90; 90.561; 90;  

COD ID: 1508037
CIF file Formula: - C68 H69 B F24 Fe N P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21 1
Cell volume: 7124
Cell parameters: 12.9134; 38.169; 14.466; 90; 92.377; 90;  

COD ID: 1508039
CIF file Formula: - C65 H62 F3 Fe N2 O4 P3 S Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21/c 1
Cell volume: 5803
Cell parameters: 16.802; 14.061; 25.384; 90; 104.615; 90;  

COD ID: 1508040
CIF file Formula: - C78 H51 B F15 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21/n 1
Cell volume: 6538.1
Cell parameters: 19.2563; 14.1012; 24.8052; 90; 103.907; 90;  

COD ID: 1508041
CIF file Formula: - C65 H83 B F15 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21/c 1
Cell volume: 6405.9
Cell parameters: 14.1228; 21.6463; 21.0628; 90; 95.819; 90;  

COD ID: 1508042
CIF file Formula: - C60 H47 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: C 1 2/c 1
Cell volume: 10581.7
Cell parameters: 22.9376; 12.8125; 36.9247; 90; 102.808; 90;  

COD ID: 1508043
CIF file Formula: - C92 H59 B F24 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P -1
Cell volume: 4178.33
Cell parameters: 12.6062; 17.7714; 20.2427; 68.604; 81.731; 87.512;  

COD ID: 1508044
CIF file Formula: - C39 H63 Fe N2 P3 Si2 -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21/n 1
Cell volume: 4146.1
Cell parameters: 12.8552; 18.869; 17.1044; 90; 92.116; 90;  

COD ID: 1508045
CIF file Formula: - C60 H50 Fe P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21/c 1
Cell volume: 4335.3
Cell parameters: 12.9352; 17.4246; 19.4686; 90; 98.894; 90;  

COD ID: 1508046
CIF file Formula: - C37 H57 Fe P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P b c a
Cell volume: 7113.1
Cell parameters: 16.0034; 17.018; 26.118; 90; 90; 90;  

COD ID: 1508047
CIF file Formula: - C68 H66 B F24 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P b c a
Cell volume: 14085.8
Cell parameters: 26.3222; 19.5893; 27.3174; 90; 90; 90;  

COD ID: 1508048
CIF file Formula: - C36 H54 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P b c a
Cell volume: 7049
Cell parameters: 16.085; 17.133; 25.58; 90; 90; 90;  

COD ID: 1508049
CIF file Formula: - C48 H78 Fe N2 Na O3 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: R 3 :H
Cell volume: 3654.73
Cell parameters: 17.9312; 17.9312; 13.1252; 90; 90; 120;  

COD ID: 1508050
CIF file Formula: - C64 H110 Fe N2 Na O11 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P 1 21/n 1
Cell volume: 6797
Cell parameters: 10.914; 27.66; 22.517; 90; 90.607; 90;  

COD ID: 1508051
CIF file Formula: - C86 H59 B F24 Fe N2 P3 Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P -1
Cell volume: 8010.2
Cell parameters: 21.1566; 21.4783; 22.3299; 105.835; 115.183; 104.537;  

COD ID: 1508052
CIF file Formula: - C55 H48 F3 Fe N2 O3 P2 S Si -
Comments: Lee, Yunho; Mankad, Neal P.; Peters, Jonas C. Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron. Nature chemistry 2(7) (2010) 558-565
Space group: P -1
Cell volume: 5316.5
Cell parameters: 13.7155; 18.226; 21.536; 95.141; 94.656; 95.372;  

COD ID: 1508053
CIF file Formula: - C40 H60 N4 O2 Si -
Comments: Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. Nature chemistry 2(7) (2010) 577-580
Space group: P 1 21/n 1
Cell volume: 3949.9
Cell parameters: 13.1928; 20.6445; 15.0686; 90; 105.754; 90;  

COD ID: 1508054
CIF file Formula: - C39.5 H56 N4 O2 Si -
Comments: Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. Nature chemistry 2(7) (2010) 577-580
Space group: P 1 21/n 1
Cell volume: 3796.8
Cell parameters: 17.0069; 13.0836; 18.0462; 90; 108.997; 90;  

COD ID: 1508055
CIF file Formula: - C40 H60 N4 O2 Si -
Comments: Xiong, Yun; Yao, Shenglai; Müller, Robert; Kaupp, Martin; Driess, Matthias From silicon(II)-based dioxygen activation to adducts of elusive dioxasiliranes and sila-ureas stable at room temperature. Nature chemistry 2(7) (2010) 577-580
Space group: P 1 21/n 1
Cell volume: 3879.8
Cell parameters: 12.1047; 16.482; 19.5115; 90; 94.666; 90;  

COD ID: 1508056
CIF file Formula: - C36 H72 Mn2 N4 Na2 O -
Comments: Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran. Nature chemistry 2(7) (2010) 588-591
Space group: P 1 21/n 1
Cell volume: 2030.8
Cell parameters: 11.985; 11.542; 15.364; 90; 107.15; 90;  

COD ID: 1508057
CIF file Formula: - C52 H108 Mg2 N8 Na2 -
Comments: Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran. Nature chemistry 2(7) (2010) 588-591
Space group: P 1 21/n 1
Cell volume: 2946.46
Cell parameters: 8.2736; 21.4955; 16.5688; 90; 90.708; 90;  

COD ID: 1508058
CIF file Formula: - C52.4 H108 Mn2 N8 Na2 -
Comments: Mulvey, Robert E.; Blair, Victoria L.; Clegg, William; Kennedy, Alan R.; Klett, Jan; Russo, Luca Cleave and capture chemistry illustrated through bimetallic-induced fragmentation of tetrahydrofuran. Nature chemistry 2(7) (2010) 588-591
Space group: P 1 21/n 1
Cell volume: 2965.1
Cell parameters: 8.2875; 21.6756; 16.5068; 90; 90.465; 90;  

COD ID: 1508059
CIF file Formula: - C21 H20 Cl Mn N4 O9 Re -
Comments: Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry 2(8) (2010) 688-694
Space group: P n n a
Cell volume: 2465.1
Cell parameters: 9.489; 26.246; 9.898; 90; 90; 90;  

COD ID: 1508060
CIF file Formula: - C21 H20 Cl Mn2 N4 O9 -
Comments: Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry 2(8) (2010) 688-694
Space group: P n n a
Cell volume: 2336.7
Cell parameters: 9.281; 25.932; 9.709; 90; 90; 90;  

COD ID: 1508061
CIF file Formula: - C21 H20 Cl Mn2 N4 O8 -
Comments: Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong Photoreactivity examined through incorporation in metal-organic frameworks. Nature chemistry 2(8) (2010) 688-694
Space group: P n n a
Cell volume: 2231.3
Cell parameters: 9.062; 25.6; 9.618; 90; 90; 90;  

COD ID: 1508062
CIF file Formula: - C41 H20 N11 Zn -
Comments: Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer. Nature chemistry 2(8) (2010) 633-637
Space group: P c c m
Cell volume: 2125.2
Cell parameters: 11.4341; 12.5791; 14.7759; 90; 90; 90;  

COD ID: 1508063
CIF file Formula: - C41 H16 N10 O Zn -
Comments: Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer. Nature chemistry 2(8) (2010) 633-637
Space group: P c c m
Cell volume: 2134.3
Cell parameters: 11.419; 12.67; 14.752; 90; 90; 90;  

COD ID: 1508064
CIF file Formula: - C42 H26 N10 Zn -
Comments: Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer. Nature chemistry 2(8) (2010) 633-637
Space group: P c c m
Cell volume: 2142.2
Cell parameters: 11.3749; 12.7239; 14.801; 90; 90; 90;  

COD ID: 1508065
CIF file Formula: - C46 H16 F8 N10 Zn -
Comments: Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer. Nature chemistry 2(8) (2010) 633-637
Space group: P c c a
Cell volume: 4210.6
Cell parameters: 22.857; 12.614; 14.604; 90; 90; 90;  

COD ID: 1508066
CIF file Formula: - C119.36 H115.1 B3 Cu3 F11.9 N20 O16 -
Comments: Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R. Cascading transformations within a dynamic self-assembled system. Nature chemistry 2(8) (2010) 684-687
Space group: P -1
Cell volume: 5851.1
Cell parameters: 16.844; 17.393; 20.257; 84.064; 82.693; 87.212;  

COD ID: 1508067
CIF file Formula: - C109 H87.66666 B2 Cl1.33333 Cu F8.49333 N16 O17.33333 Zn2 -
Comments: Campbell, Victoria E.; de Hatten, Xavier; Delsuc, Nicolas; Kauffmann, Brice; Huc, Ivan; Nitschke, Jonathan R. Cascading transformations within a dynamic self-assembled system. Nature chemistry 2(8) (2010) 684-687
Space group: P 1 21/n 1
Cell volume: 32757.5
Cell parameters: 23.958; 26.469; 51.79; 90; 94.12; 90;  

COD ID: 1508068
CIF file Formula: - C60 Cl6 Li Sb -
Comments: Aoyagi, Shinobu; Nishibori, Eiji; Sawa, Hiroshi; Sugimoto, Kunihisa; Takata, Masaki; Miyata, Yasumitsu; Kitaura, Ryo; Shinohara, Hisanori; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Yokoo, Kuniyoshi; Ono, Shoichi; Omote, Kenji; Kasama, Yasuhiko; Ishikawa, Shinsuke; Komuro, Takashi; Tobita, Hiromi A layered ionic crystal of polar Li@C(60) superatoms. Nature chemistry 2(8) (2010) 678-683
Space group: A m m 2
Cell volume: 3554.6
Cell parameters: 12.297; 9.9506; 29.05; 90; 90; 90;  

COD ID: 1508069
CIF file Formula: - C87 H54 F3 Fe N4 O9 S -
Comments: Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M. Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information. Nature chemistry 2(8) (2010) 653-660
Space group: C 1 2/c 1
Cell volume: 18864.8
Cell parameters: 28.919; 25.0844; 26.4151; 90; 100.103; 90;  

COD ID: 1508070
CIF file Formula: - C96 H55 N3 O14 S2 -
Comments: Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M. Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information. Nature chemistry 2(8) (2010) 653-660
Space group: I 1 2/a 1
Cell volume: 16855.3
Cell parameters: 28.5423; 22.2297; 28.8082; 90; 112.759; 90;  

COD ID: 1508071
CIF file Formula: - C32 H40 N4 U -
Comments: Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L. Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride. Nature chemistry 2(9) (2010) 723-729
Space group: P n m a
Cell volume: 2857.7
Cell parameters: 17.482; 12.657; 12.915; 90; 90; 90;  

COD ID: 1508072
CIF file Formula: - C26 H48 N4 Si2 U -
Comments: Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L. Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride. Nature chemistry 2(9) (2010) 723-729
Space group: P c 21 b
Cell volume: 5982
Cell parameters: 16.886; 16.953; 20.895; 90; 90; 90;  

COD ID: 1508073
CIF file Formula: - C28 H52 N4 Si2 U -
Comments: Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L. Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride. Nature chemistry 2(9) (2010) 723-729
Space group: P -1
Cell volume: 1549.1
Cell parameters: 9.5877; 10.3919; 18.0297; 75.277; 88.379; 63.624;  

COD ID: 1508074
CIF file Formula: - C26 H48 N2 Si2 U -
Comments: Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L. Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride. Nature chemistry 2(9) (2010) 723-729
Space group: I 41/a :2
Cell volume: 22716
Cell parameters: 31.4069; 31.4069; 23.029; 90; 90; 90;  

COD ID: 1508076
CIF file Formula: - C46 H52 B F15 N4 Si2 U -
Comments: Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L. Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride. Nature chemistry 2(9) (2010) 723-729
Space group: P 1 21/n 1
Cell volume: 4898.5
Cell parameters: 13.6355; 25.5997; 14.2579; 90; 100.183; 90;  

COD ID: 1508078
CIF file Formula: - C30 H30 Re3 Sm -
Comments: Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett Molecules containing rare-earth atoms solely bonded by transition metals. Nature chemistry 2(9) (2010) 741-744
Space group: R -3 :H
Cell volume: 11350.2
Cell parameters: 41.437; 41.437; 7.633; 90; 90; 120;  

COD ID: 1508080
CIF file Formula: - C30 H30 Lu Re3 -
Comments: Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett Molecules containing rare-earth atoms solely bonded by transition metals. Nature chemistry 2(9) (2010) 741-744
Space group: R -3 :H
Cell volume: 11199.1
Cell parameters: 41.12; 41.12; 7.648; 90; 90; 120;  

COD ID: 1508081
CIF file Formula: - C30 H30 La Re3 -
Comments: Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett Molecules containing rare-earth atoms solely bonded by transition metals. Nature chemistry 2(9) (2010) 741-744
Space group: R -3 :H
Cell volume: 11434
Cell parameters: 41.647; 41.647; 7.612; 90; 90; 120;  

COD ID: 1508082
CIF file Formula: - C55 H62 La2 O2 Re4 -
Comments: Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett Molecules containing rare-earth atoms solely bonded by transition metals. Nature chemistry 2(9) (2010) 741-744
Space group: P 1 21/n 1
Cell volume: 4682.9
Cell parameters: 12.242; 21.612; 17.762; 90; 94.794; 90;  

COD ID: 1508083
CIF file Formula: - C20 H18 Cl N2 O4 -
Comments: Raup, Dustin E. A.; Cardinal-David, Benoit; Holte, Dane; Scheidt, Karl A. Cooperative catalysis by carbenes and Lewis acids in a highly stereoselective route to gamma-lactams. Nature chemistry 2(9) (2010) 766-771
Space group: P 1 21/c 1
Cell volume: 1856.28
Cell parameters: 13.5724; 19.5079; 7.0896; 90; 98.542; 90;  

COD ID: 1508084
CIF file Formula: - C25 H21 Br N2 O3 -
Comments: Antonchick, Andrey P.; Gerding-Reimers, Claas; Catarinella, Mario; Schürmann, Markus; Preut, Hans; Ziegler, Slava; Rauh, Daniel; Waldmann, Herbert Highly enantioselective synthesis and cellular evaluation of spirooxindoles inspired by natural products. Nature chemistry 2(9) (2010) 735-740
Space group: P 21 21 21
Cell volume: 2149.75
Cell parameters: 10.2485; 11.2076; 18.7161; 90; 90; 90;  

COD ID: 1508085
CIF file Formula: - C20 H36 F12 Fe N5 O14 S4 Sc -
Comments: Fukuzumi, Shunichi; Morimoto, Yuma; Kotani, Hiroaki; Naumov, Pance; Lee, Yong-Min; Nam, Wonwoo Crystal structure of a metal ion-bound oxoiron(IV) complex and implications for biological electron transfer. Nature chemistry 2(9) (2010) 756-759
Space group: P 1 21/n 1
Cell volume: 4053.7
Cell parameters: 12.3656; 16.4492; 19.9866; 90; 94.337; 90;  

COD ID: 1508086
CIF file Formula: - C38 H8 Cu2 N2 O12 -
Comments: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry 2(10) (2010) 838-846
Space group: I 41 2 2
Cell volume: 11680.9
Cell parameters: 15.7125; 15.7125; 47.3137; 90; 90; 90;  

COD ID: 1508087
CIF file Formula: - C36 H26 Cu2 O12 -
Comments: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry 2(10) (2010) 838-846
Space group: I 41 2 2
Cell volume: 26455.4
Cell parameters: 21.4169; 21.4169; 57.6768; 90; 90; 90;  

COD ID: 1508088
CIF file Formula: - C32 H16 Cu2 O12 -
Comments: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry 2(10) (2010) 838-846
Space group: I 41 2 2
Cell volume: 25643
Cell parameters: 21.049; 21.049; 57.878; 90; 90; 90;  

COD ID: 1508089
CIF file Formula: - C48 H26 Cu2 O12 -
Comments: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry 2(10) (2010) 838-846
Space group: I 41 2 2
Cell volume: 41583
Cell parameters: 23.849; 23.849; 73.11; 90; 90; 90;  

COD ID: 1508090
CIF file Formula: - C60 H32 Cu2 O12 -
Comments: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry 2(10) (2010) 838-846
Space group: I 41 2 2
Cell volume: 77322
Cell parameters: 30.9491; 30.9491; 80.725; 90; 90; 90;  

COD ID: 1508091
CIF file Formula: - C56 H32 Cu2 O12 -
Comments: Ma, Liqing; Falkowski, Joseph M.; Abney, Carter; Lin, Wenbin A series of isoreticular chiral metal-organic frameworks as a tunable platform for asymmetric catalysis. Nature chemistry 2(10) (2010) 838-846
Space group: I 41 2 2
Cell volume: 77319
Cell parameters: 30.7816; 30.7816; 81.603; 90; 90; 90;  

COD ID: 1508092
CIF file Formula: - C115 H154 N24 O10 -
Comments: Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I. Triply interlocked covalent organic cages. Nature chemistry 2(9) (2010) 750-755
Space group: R -3 c :H
Cell volume: 19452
Cell parameters: 20.043; 20.043; 55.912; 90; 90; 120;  

COD ID: 1508093
CIF file Formula: - C73.5 H87 Cl15 N12 -
Comments: Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I. Triply interlocked covalent organic cages. Nature chemistry 2(9) (2010) 750-755
Space group: C 2 2 21
Cell volume: 15935
Cell parameters: 16.861; 32.059; 29.48; 90; 90; 90;  

COD ID: 1508094
CIF file Formula: - C120 H124 N24 -
Comments: Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I. Triply interlocked covalent organic cages. Nature chemistry 2(9) (2010) 750-755
Space group: C 1 2/c 1
Cell volume: 10401
Cell parameters: 25.511; 16.802; 24.782; 90; 101.733; 90;  

COD ID: 1508095
CIF file Formula: - C84 H96 N12 -
Comments: Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I. Triply interlocked covalent organic cages. Nature chemistry 2(9) (2010) 750-755
Space group: P -1
Cell volume: 3819.1
Cell parameters: 10.8757; 14.151; 26.065; 92.55; 99.061; 104.57;  

COD ID: 1508096
CIF file Formula: - C26 H16 Co N10 S2 -
Comments: Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto Networked molecular cages as crystalline sponges for fullerenes and other guests. Nature chemistry 2(9) (2010) 780-783
Space group: F m -3 m
Cell volume: 52570
Cell parameters: 37.461; 37.461; 37.461; 90; 90; 90;  

COD ID: 1508097
CIF file Formula: - C102 H64 Co3 N30 S22 -
Comments: Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto Networked molecular cages as crystalline sponges for fullerenes and other guests. Nature chemistry 2(9) (2010) 780-783
Space group: P 42/m n m
Cell volume: 25540
Cell parameters: 26.405; 26.405; 36.631; 90; 90; 90;  

COD ID: 1508098
CIF file Formula: - C80 H64.5 Co N14.5 S2 -
Comments: Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto Networked molecular cages as crystalline sponges for fullerenes and other guests. Nature chemistry 2(9) (2010) 780-783
Space group: F d -3 c :2
Cell volume: 421403
Cell parameters: 74.972; 74.972; 74.972; 90; 90; 90;  

COD ID: 1508099
CIF file Formula: - C132 H160 N48 O36 Pd6 S16 -
Comments: Inokuma, Yasuhide; Arai, Tatsuhiko; Fujita, Makoto Networked molecular cages as crystalline sponges for fullerenes and other guests. Nature chemistry 2(9) (2010) 780-783
Space group: I 41/a :2
Cell volume: 23396
Cell parameters: 27.886; 27.886; 30.086; 90; 90; 90;  

COD ID: 1508100
CIF file Formula: - C84 H64 F24 N4 P4 S24 -
Comments: Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser Highly stable tetrathiafulvalene radical dimers in [3]catenanes. Nature chemistry 2(10) (2010) 870-879
Space group: C 1 c 1
Cell volume: 9839
Cell parameters: 28.643; 14.21; 24.502; 90; 99.38; 90;  

COD ID: 1508101
CIF file Formula: - C121 H135.5 F24 N6.5 O20 P4 S8 -
Comments: Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser Highly stable tetrathiafulvalene radical dimers in [3]catenanes. Nature chemistry 2(10) (2010) 870-879
Space group: P 1 21/c 1
Cell volume: 13237
Cell parameters: 27.049; 16.3551; 29.944; 90; 92.265; 90;  

COD ID: 1508102
CIF file Formula: - C106 H117 F24 N7 O16 P4 S8 -
Comments: Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser Highly stable tetrathiafulvalene radical dimers in [3]catenanes. Nature chemistry 2(10) (2010) 870-879
Space group: P -1
Cell volume: 3026
Cell parameters: 11.144; 14.355; 19.592; 86.784; 87.155; 75.382;  

COD ID: 1508103
CIF file Formula: - C100 H108 Cl F24 N4 O20 P4 S8 -
Comments: Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser Highly stable tetrathiafulvalene radical dimers in [3]catenanes. Nature chemistry 2(10) (2010) 870-879
Space group: C 2 2 21
Cell volume: 13980.2
Cell parameters: 13.4168; 37.385; 27.8719; 90; 90; 90;  

COD ID: 1508104
CIF file Formula: - C109 H133 Cl4 F12 N9 O43 P2 S8 -
Comments: Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser Highly stable tetrathiafulvalene radical dimers in [3]catenanes. Nature chemistry 2(10) (2010) 870-879
Space group: P -1
Cell volume: 6887
Cell parameters: 14.1826; 21.4251; 22.9043; 95.326; 95.544; 92.596;  

COD ID: 1508105
CIF file Formula: - C31 H48 Al I2 N3 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 21/c 1
Cell volume: 6727
Cell parameters: 35.768; 10.242; 18.497; 90; 96.92; 90;  

COD ID: 1508106
CIF file Formula: - C62 H96 Al2 I2 N6 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 21/n 1
Cell volume: 3094.3
Cell parameters: 10.045; 20.189; 15.403; 90; 97.87; 90;  

COD ID: 1508107
CIF file Formula: - C86 H120 Al2 I2 N6 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P -1
Cell volume: 2051.6
Cell parameters: 11.992; 13.192; 15.969; 111.76; 93.91; 114.89;  

COD ID: 1508108
CIF file Formula: - C46 H60 Mg2 N4 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 2/n 1
Cell volume: 2146.8
Cell parameters: 13.475; 8.2292; 19.771; 90; 101.7; 90;  

COD ID: 1508109
CIF file Formula: - C54 H76 Al2 N4 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 21/n 1
Cell volume: 2552.33
Cell parameters: 13.3869; 12.1848; 15.7738; 90; 97.262; 90;  

COD ID: 1508110
CIF file Formula: - C48 H66 Mg2 N4 O Si -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 21/n 1
Cell volume: 4649.3
Cell parameters: 12.145; 28.154; 13.801; 90; 99.86; 90;  

COD ID: 1508111
CIF file Formula: - C31 H50 Al N3 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P c c n
Cell volume: 6094
Cell parameters: 19.074; 21.504; 14.858; 90; 90; 90;  

COD ID: 1508112
CIF file Formula: - C70 H112 Al2 N4 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P -1
Cell volume: 1697.09
Cell parameters: 10.606; 11.9107; 15.3949; 71.643; 77.501; 67.68;  

COD ID: 1508113
CIF file Formula: - C73 H93 Al2 N4 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P -1
Cell volume: 6662.8
Cell parameters: 19.2949; 19.4205; 19.6592; 82.645; 67.092; 79.72;  

COD ID: 1508114
CIF file Formula: - C70 H100 Al2 N4 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 21/c 1
Cell volume: 3235.16
Cell parameters: 12.7841; 14.7611; 17.1527; 90; 91.847; 90;  

COD ID: 1508115
CIF file Formula: - C62 H98 Al2 N6 -
Comments: Bonyhady, Simon J.; Collis, David; Frenking, Gernot; Holzmann, Nicole; Jones, Cameron; Stasch, Andreas Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature chemistry 2(10) (2010) 865-869
Space group: P 1 21/n 1
Cell volume: 3049
Cell parameters: 11.729; 15.039; 17.886; 90; 104.89; 90;  

COD ID: 1508117
CIF file Formula: - C20 H19 Br O2 -
Comments: Ito, Hajime; Kunii, Shun; Sawamura, Masaya Direct enantio-convergent transformation of racemic substrates without racemization or symmetrization. Nature chemistry 2(11) (2010) 972-976
Space group: P 1 21/c 1
Cell volume: 1715.5
Cell parameters: 11.98; 6.098; 23.525; 90; 93.43; 90;  

COD ID: 1508119
CIF file Formula: - C192 H96 Cu24 O120 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: P -1
Cell volume: 11774
Cell parameters: 24.3386; 24.4267; 25.442; 112.19; 115.547; 98.071;  

COD ID: 1508120
CIF file Formula: - C32 H26 Cu2 N4 O18 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: P -1
Cell volume: 865.4
Cell parameters: 6.5901; 10.8797; 12.487; 93.149; 103.646; 94.092;  

COD ID: 1508121
CIF file Formula: - C288 H288 Cu24 O120 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: I 4/m m m
Cell volume: 35377
Cell parameters: 29.296; 29.296; 41.22; 90; 90; 90;  

COD ID: 1508122
CIF file Formula: - C192 H96 Cu24 O144 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: I 4/m
Cell volume: 26183
Cell parameters: 25.8693; 25.8693; 39.125; 90; 90; 90;  

COD ID: 1508123
CIF file Formula: - C192 H72 Cu24 O192 S24 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: I 4/m
Cell volume: 35193
Cell parameters: 29.044; 29.044; 41.72; 90; 90; 90;  

COD ID: 1508124
CIF file Formula: - C168 H120 Cu12 O60 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: P -1
Cell volume: 17139
Cell parameters: 26.687; 26.714; 28.012; 67.565; 69.257; 76.221;  

COD ID: 1508125
CIF file Formula: - C288 H216 Cu24 O120 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: F d d d :2
Cell volume: 137833
Cell parameters: 28.083; 59.645; 82.288; 90; 90; 90;  

COD ID: 1508126
CIF file Formula: - C192 H98 Cu24 O128 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: C 1 2/c 1
Cell volume: 40986
Cell parameters: 35.49; 32.46; 35.61; 90; 92.42; 90;  

COD ID: 1508127
CIF file Formula: - C108 H76 Cu4 N4 O20 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: P 1 21/n 1
Cell volume: 14694.7
Cell parameters: 18.0347; 31.135; 27.1691; 90; 105.587; 90;  

COD ID: 1508128
CIF file Formula: - C168 H84 Cu12 N12 O60 -
Comments: Li, Jian-Rong; Zhou, Hong-Cai Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra. Nature chemistry 2(10) (2010) 893-898
Space group: P -1
Cell volume: 7622
Cell parameters: 20.014; 20.977; 22.605; 117.518; 92.93; 110.47;  

COD ID: 1508129
CIF file Formula: - C98 H126 -
Comments: Chalifoux, Wesley A.; Tykwinski, Rik R. Synthesis of polyynes to model the sp-carbon allotrope carbyne. Nature chemistry 2(11) (2010) 967-971
Space group: P -1
Cell volume: 2158.4
Cell parameters: 10.5799; 10.7732; 19.6616; 84.7319; 75.3405; 87.4321;  

COD ID: 1508130
CIF file Formula: - C70 H98 Si -
Comments: Chalifoux, Wesley A.; Tykwinski, Rik R. Synthesis of polyynes to model the sp-carbon allotrope carbyne. Nature chemistry 2(11) (2010) 967-971
Space group: P -1
Cell volume: 3205
Cell parameters: 10.2575; 14.6634; 21.9595; 76.52; 89.555; 86.272;  

COD ID: 1508131
CIF file Formula: - C480 H192 Cu24 O120 -
Comments: Farha, Omar K.; Yazaydın, A Özgür; Eryazici, Ibrahim; Malliakas, Christos D.; Hauser, Brad G.; Kanatzidis, Mercouri G.; Nguyen, SonBinh T; Snurr, Randall Q.; Hupp, Joseph T. De novo synthesis of a metal-organic framework material featuring ultrahigh surface area and gas storage capacities. Nature chemistry 2(11) (2010) 944-948
Space group: F m -3 m
Cell volume: 214621
Cell parameters: 59.872; 59.872; 59.872; 90; 90; 90;  

COD ID: 1508132
CIF file Formula: - C34 H33 B Te -
Comments: Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry 2(11) (2010) 984-990
Space group: P 1 21/c 1
Cell volume: 2709.6
Cell parameters: 15.3549; 12.2755; 17.3029; 90; 123.819; 90;  

COD ID: 1508133
CIF file Formula: - C35 H36 B F Te -
Comments: Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry 2(11) (2010) 984-990
Space group: P 1 21/n 1
Cell volume: 2852.1
Cell parameters: 9.0099; 24.019; 13.208; 90; 93.774; 90;  

COD ID: 1508134
CIF file Formula: - C36 H36 B F3 O3 S Te -
Comments: Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry 2(11) (2010) 984-990
Space group: P 1 21/c 1
Cell volume: 3360.5
Cell parameters: 8.4011; 18.828; 21.449; 90; 97.903; 90;  

COD ID: 1508136
CIF file Formula: - C34 H33 B S -
Comments: Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry 2(11) (2010) 984-990
Space group: P 1 21/n 1
Cell volume: 2662.4
Cell parameters: 15.337; 12.0381; 15.458; 90; 111.115; 90;  

COD ID: 1508138
CIF file Formula: - C35 H36 B F S -
Comments: Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry 2(11) (2010) 984-990
Space group: P 1 21/n 1
Cell volume: 2860.9
Cell parameters: 10.757; 8.8417; 30.186; 90; 94.8; 90;  

COD ID: 1508139
CIF file Formula: - C36 H36 B F3 O3 S2 -
Comments: Zhao, Haiyan; Gabbaï, François P A bidentate Lewis acid with a telluronium ion as an anion-binding site. Nature chemistry 2(11) (2010) 984-990
Space group: P -1
Cell volume: 1626.5
Cell parameters: 8.632; 10.482; 18.755; 90.939; 102.507; 100.441;  

COD ID: 1508140
CIF file Formula: - C17 H25 N O2 -
Comments: Denmark, Scott E.; Wilson, Tyler W. N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis. Nature chemistry 2(11) (2010) 937-943
Space group: P 1 21 1
Cell volume: 808.65
Cell parameters: 10.2338; 6.605; 11.9985; 90; 94.388; 90;  

COD ID: 1508141
CIF file Formula: - C72 H82 Au2 Cl2 O4 P2 -
Comments: de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry 2(12) (2010) 1062-1068
Space group: I 1 2/a 1
Cell volume: 8754
Cell parameters: 19.59; 22.495; 20.59; 90; 105.26; 90;  

COD ID: 1508142
CIF file Formula: - C76 H90 Au2 Cl2 O4 P2 -
Comments: de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry 2(12) (2010) 1062-1068
Space group: P 1 21/c 1
Cell volume: 7707.1
Cell parameters: 14.6239; 25.8803; 21.5065; 90; 108.762; 90;  

COD ID: 1508143
CIF file Formula: - C66 H85 Au Cl O4 P -
Comments: de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry 2(12) (2010) 1062-1068
Space group: P 1 21/c 1
Cell volume: 6120
Cell parameters: 19.695; 14.974; 20.876; 90; 96.29; 90;  

COD ID: 1508144
CIF file Formula: - C76 H90 O4 P2 -
Comments: de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts. Nature chemistry 2(12) (2010) 1062-1068
Space group: P -1
Cell volume: 3261.2
Cell parameters: 13.9923; 15.1673; 17.3281; 83.207; 81.568; 63.915;  

COD ID: 1508148
CIF file Formula: - C70 H97 Li N8 O9 U -
Comments: Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry 2(12) (2010) 1056-1061
Space group: P -1
Cell volume: 3335.6
Cell parameters: 12.9187; 16.9057; 17.0274; 107.186; 96.271; 106.235;  

COD ID: 1508149
CIF file Formula: - C87 H86 Li2 N17 O2 U -
Comments: Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry 2(12) (2010) 1056-1061
Space group: C 1 c 1
Cell volume: 7786.7
Cell parameters: 14.0928; 24.2786; 22.7601; 90; 90.769; 90;  

COD ID: 1508150
CIF file Formula: - C92 H90 Li3 N18 O2 U -
Comments: Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry 2(12) (2010) 1056-1061
Space group: P -1
Cell volume: 4172.18
Cell parameters: 15.0681; 15.9581; 19.1549; 94.953; 90.628; 114.436;  

COD ID: 1508151
CIF file Formula: - C76 H114 Li4 N9 O9 Si2 U -
Comments: Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B. Uranyl oxo activation and functionalization by metal cation coordination. Nature chemistry 2(12) (2010) 1056-1061
Space group: P -1
Cell volume: 3957.1
Cell parameters: 12.2088; 16.2176; 20.9697; 75.391; 86.593; 80.083;  

COD ID: 1508373
CIF file Formula: - C8 H15 N11 O8 -
Comments: Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T. Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3] Crystals 2(1) (2012) 34-42
Space group: P -1
Cell volume: 779.68
Cell parameters: 6.7224; 10.7473; 11.9604; 113.212; 90.579; 99.815;  

COD ID: 1508374
CIF file Formula: - C15 H28 N2 O4 -
Comments: Mamat, Constantin; Flemming, Anke; Köckerling, Martin Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate Crystals 2(1) (2012) 90-95
Space group: P 1 21/c 1
Cell volume: 1727.71
Cell parameters: 8.4007; 16.4716; 12.4876; 90; 90.948; 90;  

COD ID: 1508375
CIF file Formula: - C19 H26 O8 S -
Comments: Mamat, Constantin; Peppel, Tim; Köckerling, Martin The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose Crystals 2(1) (2012) 105-109
Space group: P 21 21 21
Cell volume: 2127.4
Cell parameters: 9.7945; 10.1945; 21.306; 90; 90; 90;  

COD ID: 1508376
CIF file Formula: - C10 H24 Cl5 Fe N2 O4 -
Comments: Bäcker, Tobias; Mudring, Anja-Verena Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept Crystals 2(1) (2012) 110-117
Space group: P b c m
Cell volume: 2069.2
Cell parameters: 6.2717; 12.841; 25.693; 90; 90; 90;  

COD ID: 1508377
CIF file Formula: - C6 H10 B F4 N5 O2 S -
Comments: Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent Crystals 2(1) (2012) 118-126
Space group: F d d 2
Cell volume: 10038
Cell parameters: 24.375; 30.163; 13.653; 90; 90; 90;  

COD ID: 1508378
CIF file Formula: - C5 H7 N5 O2 S -
Comments: Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent Crystals 2(1) (2012) 118-126
Space group: P 1 21/c 1
Cell volume: 859.12
Cell parameters: 8.0815; 10.0732; 10.7291; 90; 100.383; 90;  

COD ID: 1508379
CIF file Formula: - C15 H13 N3 O3 -
Comments: Mamat, Constantin; Köckerling, Martin The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole Crystals 2(2) (2012) 176-181
Space group: P -1
Cell volume: 685.83
Cell parameters: 6.8994; 9.8052; 11.1525; 71.729; 79.436; 74.349;  

COD ID: 1508380
CIF file Formula: - C54 H44 N2 O6 P2 S2 -
Comments: Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine Crystals 2(2) (2012) 182-192
Space group: P -1
Cell volume: 1159.9
Cell parameters: 9.859; 13.683; 9.664; 105.04; 93.651; 110.735;  

COD ID: 1508381
CIF file Formula: - C46 H42 N2 O9 S34 -
Comments: Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S. A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine Crystals 2(2) (2012) 182-192
Space group: P -1
Cell volume: 1782.4
Cell parameters: 6.742; 15.518; 18.034; 74.29; 82.16; 80.36;  

COD ID: 1508382
CIF file Formula: - C20 H16 Br0.79 Cl1.21 Cu S16 -
Comments: Kubo, Kazuya; Yamashita, Masahiro New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6 Crystals 2(2) (2012) 284-293
Space group: P 1 2/c 1
Cell volume: 1574.3
Cell parameters: 7.8124; 6.6564; 30.444; 90; 96.062; 90;  

COD ID: 1508383
CIF file Formula: - C35 H27 Cl2 N3 S12 Zn -
Comments: Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies Crystals 2(2) (2012) 338-348
Space group: C 1 2/c 1
Cell volume: 4203.3
Cell parameters: 11.8152; 10.1; 35.579; 90; 98.111; 90;  

COD ID: 1508384
CIF file Formula: - C20 H20 B0.5 N O -
Comments: Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C. Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor Crystals 2(2) (2012) 446-465
Space group: C 1 2/c 1
Cell volume: 3048
Cell parameters: 21.4373; 6.1623; 23.2775; 90; 97.597; 90;  

COD ID: 1508385
CIF file Formula: - C11 H14 O4 -
Comments: Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis Crystals 2(2) (2012) 521-527
Space group: P -1
Cell volume: 1077.54
Cell parameters: 8.5518; 10.8826; 11.9939; 101.273; 98.287; 94.092;  

COD ID: 1508386
CIF file Formula: - C H8 Br N5 O3 -
Comments: Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M. Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives Crystals 2(2) (2012) 675-689
Space group: P 1 21/c 1
Cell volume: 715.64
Cell parameters: 8.0261; 12.7412; 7.9296; 90; 118.051; 90;  

COD ID: 1508387
CIF file Formula: - Lu20 Ru11 -
Comments: Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms Crystals 2(2) (2012) 704-709
Space group: R -3 :H
Cell volume: 4056.1
Cell parameters: 12.5514; 12.5514; 29.73; 90; 90; 120;  

COD ID: 1508388
CIF file Formula: - C76 H56 Co2 K N20 O4 -
Comments: Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals 2(3) (2012) 946-957
Space group: P 42/n :2
Cell volume: 3407.1
Cell parameters: 21.37; 21.37; 7.4607; 90; 90; 90;  

COD ID: 1508389
CIF file Formula: - C76 H56 Co2 N20 Na O4 -
Comments: Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals 2(3) (2012) 946-957
Space group: P 42/n :2
Cell volume: 3320.5
Cell parameters: 21.163; 21.163; 7.414; 90; 90; 90;  

COD ID: 1508390
CIF file Formula: - C2 H4 Cu N8 O2 -
Comments: Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II) Crystals 2(3) (2012) 958-966
Space group: P -1
Cell volume: 335.18
Cell parameters: 7.4137; 7.489; 7.5391; 118.928; 109.295; 92.47;  

COD ID: 1508391
CIF file Formula: - C18 H13 Cl N2 O4 -
Comments: Khan, Imtiaz; White, Jonathan M. Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate Crystals 2(3) (2012) 967-973
Space group: P 21 21 21
Cell volume: 1621.2
Cell parameters: 6.6491; 7.9627; 30.621; 90; 90; 90;  

COD ID: 1508392
CIF file Formula: - C5 H19 N2 O13 P3 Zn3 -
Comments: Harrison, William T.A.; Currie, William R. 1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O Crystals 2(3) (2012) 974-983
Space group: P 1 21/c 1
Cell volume: 1739.6
Cell parameters: 11.3275; 8.3235; 18.588; 90; 96.979; 90;  

COD ID: 1508393
CIF file Formula: - C18 H18 N4 O3 -
Comments: Lοser, Reik; Nieger, Martin; Gυtschow, Michael Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate Crystals 2(3) (2012) 1201-1209
Space group: P 1 21 1
Cell volume: 830.88
Cell parameters: 9.8152; 9.6305; 9.8465; 90; 116.785; 90;  

COD ID: 1508394
CIF file Formula: - C26 H24 O5 -
Comments: Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, Hemmige S.; Mayekar, Anil N.; Narayana, Badiadka Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate Crystals 2(3) (2012) 1239-1247
Space group: C 1 2/c 1
Cell volume: 4229.93
Cell parameters: 25.4114; 8.4744; 20.6921; 90; 108.328; 90;  

COD ID: 1508395
CIF file Formula: - C11 H10 N2 O3 -
Comments: Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate Crystals 2(3) (2012) 1248-1252
Space group: P 1 21/c 1
Cell volume: 1018.5
Cell parameters: 9.5408; 9.5827; 11.58; 90; 105.838; 90;  

COD ID: 1508396
CIF file Formula: - C20 H44 B4 Cu2 F16 N8 O4 -
Comments: Olguin, Juan; Bernes, Sylvain; Gasque, Laura Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template Crystals 2(3) (2012) 1357-1365
Space group: P -1
Cell volume: 1804.6
Cell parameters: 9.455; 12.0445; 16.493; 87.469; 83.061; 75.465;  

COD ID: 1508397
CIF file Formula: - C20 H44 B2 Cu2 F10 N8 O4 -
Comments: Olguin, Juan; Bernes, Sylvain; Gasque, Laura Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template Crystals 2(3) (2012) 1357-1365
Space group: P 1 21/c 1
Cell volume: 1664.3
Cell parameters: 10.4816; 7.0223; 22.732; 90; 95.913; 90;  

COD ID: 1508398
CIF file Formula: - C5 H12 Br3 Cu2 N -
Comments: Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W. (C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders Crystals 2(4) (2012) 1434-1440
Space group: P -1
Cell volume: 540.04
Cell parameters: 6.2948; 8.2624; 10.7612; 75.964; 89.232; 84.072;  

COD ID: 1508399
CIF file Formula: - C56 H102.5 O50.75 -
Comments: Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals 2(4) (2012) 1441-1454
Space group: P 1
Cell volume: 3618.4
Cell parameters: 15.4039; 15.2813; 17.8904; 99.662; 113.423; 102.481;  

COD ID: 1508400
CIF file Formula: - C14 H14 O4 -
Comments: Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin Crystals 2(4) (2012) 1441-1454
Space group: P 21 21 21
Cell volume: 3542.2
Cell parameters: 6.8921; 11.4302; 44.964; 90; 90; 90;  

COD ID: 1508401
CIF file Formula: - C23 H35 N O2 S -
Comments: Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig Improved Synthesis and Crystal Structure of Dalcetrapib Crystals 2(4) (2012) 1455-1459
Space group: P 1 21/c 1
Cell volume: 2151.59
Cell parameters: 10.7572; 9.7154; 20.5873; 90; 90.003; 90;  

COD ID: 1508423
CIF file Formula: - C14 H27.91 B18 Cl2.09 Co S8 -
Comments: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals 2(1) (2012) 43-55
Space group: P -1
Cell volume: 1574.7
Cell parameters: 8.8565; 13.349; 14.654; 106.617; 102.684; 98.963;  

COD ID: 1508424
CIF file Formula: - C14 H27.75 B18 Br0.75 Cl1.25 Co S8 -
Comments: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals 2(1) (2012) 43-55
Space group: P -1
Cell volume: 1568.6
Cell parameters: 8.7106; 13.441; 14.742; 106.991; 101.784; 99.504;  

COD ID: 1508425
CIF file Formula: - C36 H36.84 B18 Br1.16 Co O0.72 S32 -
Comments: Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A. New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities Crystals 2(1) (2012) 43-55
Space group: P -1
Cell volume: 3252.1
Cell parameters: 10.809; 16.187; 20.412; 100.22; 100.43; 107.21;  

COD ID: 1508426
CIF file Formula: - C8 H18 N12 -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104
Space group: P -1
Cell volume: 671.68
Cell parameters: 8.7982; 8.8927; 9.7756; 67.827; 86.181; 71.794;  

COD ID: 1508427
CIF file Formula: - C7 H15 N7 -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104
Space group: P b c a
Cell volume: 1907.73
Cell parameters: 5.9696; 16.7493; 19.0799; 90; 90; 90;  

COD ID: 1508428
CIF file Formula: - C20 H58 N16 O8 -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104
Space group: P 1 21/c 1
Cell volume: 3464.91
Cell parameters: 12.6856; 8.82; 31.3885; 90; 99.39; 90;  

COD ID: 1508429
CIF file Formula: - C7 H17 N7 O -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals 2(1) (2012) 96-104
Space group: P 1 21/c 1
Cell volume: 1007.43
Cell parameters: 8.8064; 11.1285; 10.5456; 90; 102.894; 90;  

COD ID: 1508430
CIF file Formula: - C H3 Ag N6 -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136
Space group: C 1 2/c 1
Cell volume: 967.4
Cell parameters: 18.0338; 3.601; 14.906; 90; 91.94; 90;  

COD ID: 1508431
CIF file Formula: - C4 H9 N5 S -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136
Space group: P -1
Cell volume: 358.88
Cell parameters: 5.9032; 7.4591; 9.2538; 113.598; 98.37; 99.017;  

COD ID: 1508432
CIF file Formula: - C5 H12 N5 P -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136
Space group: P 1 21/c 1
Cell volume: 892.4
Cell parameters: 5.9035; 13.388; 11.3173; 90; 93.941; 90;  

COD ID: 1508433
CIF file Formula: - C4 H9 N5 O S -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136
Space group: P 1 21/n 1
Cell volume: 775.34
Cell parameters: 5.2452; 14.029; 10.7735; 90; 102.036; 90;  

COD ID: 1508434
CIF file Formula: - C6 H14 N6 O -
Comments: Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M. Synthesis and Crystal Structures of New 5,5'-Azotetrazolates Crystals 2(1) (2012) 127-136
Space group: P -1
Cell volume: 461.53
Cell parameters: 5.49; 8.4206; 10.3003; 78.564; 85.796; 81.876;  

COD ID: 1508442
CIF file Formula: - As6 Ga Na10 Nb -
Comments: He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals 2(2) (2012) 213-223
Space group: P 1 21/n 1
Cell volume: 847.58
Cell parameters: 8.3243; 7.5173; 13.5465; 90; 90.908; 90;  

COD ID: 1508443
CIF file Formula: - As6 Ga3 Na8 Rb -
Comments: He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals 2(2) (2012) 213-223
Space group: P n m a
Cell volume: 1844.6
Cell parameters: 22.843; 4.7892; 16.861; 90; 90; 90;  

COD ID: 1508444
CIF file Formula: - Ga3 Na8 P6 Rb -
Comments: He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals 2(2) (2012) 213-223
Space group: P n m a
Cell volume: 1710.5
Cell parameters: 22.276; 4.6947; 16.356; 90; 90; 90;  

COD ID: 1508445
CIF file Formula: - C27 H20 N3 O0.5 S16 -
Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326
Space group: C 1 2/c 1
Cell volume: 7027.7
Cell parameters: 15.7423; 13.2947; 33.81; 90; 96.701; 90;  

COD ID: 1508446
CIF file Formula: - C25 H18 N3 O S16 -
Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326
Space group: C 1 2/c 1
Cell volume: 6871.5
Cell parameters: 15.5152; 13.2644; 33.673; 90; 97.443; 90;  

COD ID: 1508447
CIF file Formula: - C29 H21 N4 O2 S16 -
Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326
Space group: P -1
Cell volume: 7613.6
Cell parameters: 17.3403; 20.1481; 23.9412; 84.225; 69.596; 76.254;  

COD ID: 1508448
CIF file Formula: - C29 H21 N4 O2 S16 -
Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326
Space group: P -1
Cell volume: 1862.4
Cell parameters: 10.2496; 11.2314; 18.0649; 96.525; 90.593; 115.397;  

COD ID: 1508449
CIF file Formula: - C31 H24.5 Cl1.5 N4 O2 S16 -
Comments: Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J. Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions Crystals 2(2) (2012) 306-326
Space group: P -1
Cell volume: 2041.6
Cell parameters: 7.6688; 12.6432; 22.6204; 98.43; 98.463; 106.246;  

COD ID: 1508450
CIF file Formula: - C16 H5 Cl2 I N2 O2 S6 -
Comments: Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals 2(2) (2012) 327-337
Space group: P -1
Cell volume: 1002.31
Cell parameters: 7.0227; 12.676; 13.1732; 62.169; 76.282; 78.615;  

COD ID: 1508451
CIF file Formula: - C26 H11 Cl2 I4 N3 O2 S12 -
Comments: Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs Crystals 2(2) (2012) 327-337
Space group: P -1
Cell volume: 1944.1
Cell parameters: 7.4173; 12.9354; 21.258; 79.6; 85.564; 75.854;  

COD ID: 1508452
CIF file Formula: - C84 H152 N4 O32 W10 -
Comments: Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid Crystals 2(2) (2012) 362-373
Space group: P -1
Cell volume: 2566.1
Cell parameters: 10.7727; 11.3734; 23.982; 98.566; 95.298; 116.168;  

COD ID: 1508453
CIF file Formula: - C16 H10 Au N4 S6 Se2 -
Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412
Space group: P n m a
Cell volume: 2225
Cell parameters: 42.054; 12.3735; 4.276; 90; 90; 90;  

COD ID: 1508454
CIF file Formula: - C12 H11 O4.5 Re S6 Se2 -
Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412
Space group: P -1
Cell volume: 1120
Cell parameters: 8.532; 9.75; 13.597; 94.949; 94.723; 93.783;  

COD ID: 1508455
CIF file Formula: - C25 H22 Cl I6 S12 Se4 -
Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412
Space group: P -1
Cell volume: 2284.9
Cell parameters: 7.893; 8.594; 34.646; 89.481; 84.178; 77.788;  

COD ID: 1508456
CIF file Formula: - C14 H12 I3 S6 Se2 -
Comments: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals 2(2) (2012) 393-412
Space group: P -1
Cell volume: 1153.3
Cell parameters: 8.443; 8.859; 16.686; 84.118; 89.712; 68.365;  

COD ID: 1508457
CIF file Formula: - C30 H24 Cl5 N O Os S24 -
Comments: Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''"-(BEDT-TTF)3[OsNOCl5] Crystals 2(2) (2012) 627-642
Space group: P -1
Cell volume: 1324.2
Cell parameters: 7.6672; 9.8657; 17.9733; 91.151; 93.636; 102.434;  

COD ID: 1508458
CIF file Formula: - C36 H42 N6 O8 -
Comments: Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals 2(2) (2012) 662-668
Space group: P 1 21/n 1
Cell volume: 1850.2
Cell parameters: 9.143; 19.352; 10.894; 90; 106.286; 90;  

COD ID: 1508459
CIF file Formula: - C36 H44 Cl4 N6 O8 -
Comments: Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals 2(2) (2012) 662-668
Space group: P 1 21/n 1
Cell volume: 2058.3
Cell parameters: 12.89; 9.7; 16.89; 90; 102.92; 90;  

COD ID: 1508460
CIF file Formula: - C40 H42 N6 O8 -
Comments: Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives Crystals 2(2) (2012) 662-668
Space group: P 1 21/c 1
Cell volume: 1966.2
Cell parameters: 12; 6.72; 24.4; 90; 92.21; 90;  

COD ID: 1508461
CIF file Formula: - C8 H7 N O5 -
Comments: Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate Crystals 2(2) (2012) 669-674
Space group: P -1
Cell volume: 851
Cell parameters: 7.2831; 10.522; 11.41; 83.38; 80.83; 82.02;  

COD ID: 1508462
CIF file Formula: - C16 H12 Pd2 S20 Sb -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3355
Cell parameters: 14.325; 6.403; 36.893; 90; 97.543; 90;  

COD ID: 1508463
CIF file Formula: - C16 H12 P Pd2 S20 -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3301.4
Cell parameters: 14.379; 6.3539; 36.496; 90; 98.07; 90;  

COD ID: 1508464
CIF file Formula: - C16 H12 As Pd2 S20 -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3328.4
Cell parameters: 14.383; 6.3691; 36.672; 90; 97.793; 90;  

COD ID: 1508465
CIF file Formula: - C17 H14 Pd2 S20 Sb -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3427.9
Cell parameters: 14.503; 6.3989; 37.244; 90; 97.352; 90;  

COD ID: 1508466
CIF file Formula: - C17 H14 P Pd2 S20 -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3395.3
Cell parameters: 14.437; 6.3614; 37.243; 90; 96.938; 90;  

COD ID: 1508467
CIF file Formula: - C17 H14 As Pd2 S20 -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3406.6
Cell parameters: 14.448; 6.3715; 37.282; 90; 96.973; 90;  

COD ID: 1508468
CIF file Formula: - C18 H16 Pd2 S20 Sb -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3500
Cell parameters: 14.628; 6.4235; 37.577; 90; 97.577; 90;  

COD ID: 1508469
CIF file Formula: - C18 H16 P Pd2 S20 -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3483
Cell parameters: 14.473; 6.3918; 37.859; 90; 96.009; 90;  

COD ID: 1508470
CIF file Formula: - C18 H16 As Pd2 S20 -
Comments: Kato, Reizo; Hengbo, Cui Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate) Crystals 2(3) (2012) 861-874
Space group: C 1 2/c 1
Cell volume: 3486.3
Cell parameters: 14.495; 6.4; 37.816; 90; 96.388; 90;  

COD ID: 1508471
CIF file Formula: - C8 H10 Br3 F6 N2 P -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: P 1 21/n 1
Cell volume: 1496.11
Cell parameters: 7.5434; 15.5493; 12.7552; 90; 90.198; 90;  

COD ID: 1508472
CIF file Formula: - C7 H8 B Br3 F4 N2 -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: I 41/a :2
Cell volume: 10503.8
Cell parameters: 23.6138; 23.6138; 18.8371; 90; 90; 90;  

COD ID: 1508473
CIF file Formula: - C6 H3 Br3 N2 -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: P b c 21
Cell volume: 867.61
Cell parameters: 7.1109; 7.8014; 15.6397; 90; 90; 90;  

COD ID: 1508474
CIF file Formula: - C8 H8 Br3 F6 N2 P -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: P -1
Cell volume: 1481.96
Cell parameters: 8.2368; 13.4522; 13.6605; 92.476; 100.965; 92.884;  

COD ID: 1508475
CIF file Formula: - C7 H6 B Br3 F4 N2 -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: I 41/a :2
Cell volume: 10272.6
Cell parameters: 23.4674; 23.4674; 18.6531; 90; 90; 90;  

COD ID: 1508476
CIF file Formula: - C9 H6 Br3 F6 N3 O4 S2 -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: P -1
Cell volume: 920.25
Cell parameters: 7.5438; 8.6311; 15.9716; 75.02; 87.083; 66.58;  

COD ID: 1508477
CIF file Formula: - C8 H8 Br5 F6 N2 P -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: P -1
Cell volume: 846.88
Cell parameters: 7.6729; 7.8858; 15.8383; 90.001; 88.104; 62.169;  

COD ID: 1508478
CIF file Formula: - C8 H8 Br6 N2 -
Comments: Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals 2(3) (2012) 1017-1033
Space group: P -1
Cell volume: 1521
Cell parameters: 7.32; 11.5867; 18.1972; 87.611; 81.121; 86.375;  

COD ID: 1508479
CIF file Formula: - C15 H15 N O S -
Comments: Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals 2(3) (2012) 1058-1066
Space group: P n a 21
Cell volume: 1343.08
Cell parameters: 9.208; 14.0485; 10.3826; 90; 90; 90;  

COD ID: 1508480
CIF file Formula: - C13 H12 Cl N O S -
Comments: Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals 2(3) (2012) 1058-1066
Space group: P 1 21/c 1
Cell volume: 1265.45
Cell parameters: 10.6092; 10.8355; 11.1346; 90; 98.643; 90;  

COD ID: 1508481
CIF file Formula: - C13 H12 Cl N O S -
Comments: Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals 2(3) (2012) 1058-1066
Space group: P 1 21/c 1
Cell volume: 1316.53
Cell parameters: 10.3738; 10.8501; 11.8301; 90; 98.615; 90;  

COD ID: 1508482
CIF file Formula: - C14 H10 O S4 Se4 -
Comments: Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals 2(3) (2012) 1092-1107
Space group: P 1 21/n 1
Cell volume: 1821.4
Cell parameters: 5.2296; 11.006; 31.718; 90; 93.903; 90;  

COD ID: 1508483
CIF file Formula: - C17 H12.5 Cl0.5 F6 O P S4 Se4 -
Comments: Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals 2(3) (2012) 1092-1107
Space group: P -1
Cell volume: 1302.4
Cell parameters: 7.917; 10.582; 15.979; 76.666; 89.916; 89.124;  

COD ID: 1508484
CIF file Formula: - C40 H30 Cl2 F12 P2 S10 Se8 -
Comments: Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene Crystals 2(3) (2012) 1092-1107
Space group: P -1
Cell volume: 2893.6
Cell parameters: 12.666; 14.299; 16.289; 85.39; 88.219; 79.788;  

COD ID: 1508485
CIF file Formula: - C16 H13 F2 N3 O -
Comments: Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals 2(3) (2012) 1108-1115
Space group: C 1 2/c 1
Cell volume: 2862.11
Cell parameters: 17.6219; 10.8735; 15.3216; 90; 102.864; 90;  

COD ID: 1508486
CIF file Formula: - C16 H13 F2 N3 S -
Comments: Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S. Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide Crystals 2(3) (2012) 1108-1115
Space group: P 1 21/c 1
Cell volume: 1458.4
Cell parameters: 14.339; 11.1478; 9.541; 90; 107.007; 90;  

COD ID: 1508487
CIF file Formula: - Ce10 O Se14 -
Comments: Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals 2(3) (2012) 1136-1145
Space group: I 41/a c d :2
Cell volume: 5202.1
Cell parameters: 15.7896; 15.7896; 20.8659; 90; 90; 90;  

COD ID: 1508488
CIF file Formula: - La10 O Se14 -
Comments: Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals 2(3) (2012) 1136-1145
Space group: I 41/a c d :2
Cell volume: 5339.1
Cell parameters: 15.9204; 15.9204; 21.0648; 90; 90; 90;  

COD ID: 1508489
CIF file Formula: - Nd10 O Se14 -
Comments: Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals 2(3) (2012) 1136-1145
Space group: I 41/a c d :2
Cell volume: 5019.2
Cell parameters: 15.5983; 15.5983; 20.6291; 90; 90; 90;  

COD ID: 1508490
CIF file Formula: - O Pr10 Se14 -
Comments: Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd Crystals 2(3) (2012) 1136-1145
Space group: I 41/a c d :2
Cell volume: 5102.6
Cell parameters: 15.6874; 15.6874; 20.7342; 90; 90; 90;  

COD ID: 1508491
CIF file Formula: - C12 H10 Au0.94 Cl1.88 N2 S6 -
Comments: Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals 2(3) (2012) 1283-1290
Space group: I -4 2 d
Cell volume: 3625.26
Cell parameters: 7.3259; 7.3259; 67.5487; 90; 90; 90;  

COD ID: 1508492
CIF file Formula: - C12 H10 Au0.94 Cl1.88 N2 S6 -
Comments: Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C. Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9) Crystals 2(3) (2012) 1283-1290
Space group: I -4 2 d
Cell volume: 3596.74
Cell parameters: 7.3066; 7.3066; 67.3719; 90; 90; 90;  

COD ID: 1508493
CIF file Formula: - C15 H13 Cl N2 O S -
Comments: Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals 2(3) (2012) 1347-1356
Space group: P 1 21/c 1
Cell volume: 1433.33
Cell parameters: 15.6941; 10.7909; 8.6586; 90; 102.184; 90;  

COD ID: 1508494
CIF file Formula: - C15 H13 Cl N2 O S -
Comments: Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals 2(3) (2012) 1347-1356
Space group: P 1 21/c 1
Cell volume: 1467.12
Cell parameters: 15.5187; 10.9358; 8.8141; 90; 101.245; 90;  

COD ID: 1508495
CIF file Formula: - C15 H13 Cl N2 O S -
Comments: Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R. Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one Crystals 2(3) (2012) 1347-1356
Space group: P 1 21/c 1
Cell volume: 1511.7
Cell parameters: 15.1766; 11.2809; 8.9334; 90; 98.726; 90;  

COD ID: 1508496
CIF file Formula: - C3 H4 N2 O -
Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501
Space group: P 21 21 21
Cell volume: 393.75
Cell parameters: 5.1024; 8.2922; 9.3064; 90; 90; 90;  

COD ID: 1508497
CIF file Formula: - C3 H5 Cl N2 O -
Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501
Space group: P 1 21/n 1
Cell volume: 502.96
Cell parameters: 4.2693; 10.7541; 10.9756; 90; 93.535; 90;  

COD ID: 1508498
CIF file Formula: - C3 H5 Br N2 O -
Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501
Space group: P 1 21/n 1
Cell volume: 545.07
Cell parameters: 4.4182; 11.0416; 11.2015; 90; 94.081; 90;  

COD ID: 1508499
CIF file Formula: - C6 H10 N4 O6 S -
Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501
Space group: P -1
Cell volume: 556.62
Cell parameters: 6.5611; 7.7322; 12.1134; 97.82; 91.912; 113.295;  

COD ID: 1508500
CIF file Formula: - C3 H5 N3 O4 -
Comments: Laus, Gerhard; Kahlenberg, Volker Crystal Structures of 1-Hydroxyimidazole and Its Salts Crystals 2(4) (2012) 1492-1501
Space group: C 1 c 1
Cell volume: 568.26
Cell parameters: 3.6216; 17.385; 9.0259; 90; 90.499; 90;  

COD ID: 1508501
CIF file Formula: - C3 H10 Bi O11 S3 -
Comments: Gschwind, Fabienne; Jansen, Martin An Unusual Bismuth Ethanedisulfonate Network Crystals 2(4) (2012) 1374-1381
Space group: P 1 21/c 1
Cell volume: 1145.4
Cell parameters: 11.601; 10.39; 10.498; 90; 115.15; 90;  

COD ID: 1509187
CIF file Formula: - Ag Al11 O17 -
Comments: Cheetham, A.K.; Tofield, B.C.; Newsam, J.M. Stoichiometric silver beta alumina studied at 25,300 and 500C by powder neutron diffraction Journal of Physics: Condensed Matter 2 (1990) 2335-2344
Space group: P 63/m m c
Cell volume: 617.42
Cell parameters: 5.6169; 5.6169; 22.5973; 90; 90; 120;  

COD ID: 1509195
CIF file Formula: - Ag As F6 -
Comments: Ito, Y.; Kitashita, K.; Tamada, O.; Hagiwara, R. Crystal structure of Ag P F6 and Ag As F6 at ambient temperatures Solid State Sciences 2 (2000) 237-241
Space group: F m -3 m
Cell volume: 466.35
Cell parameters: 7.7548; 7.7548; 7.7548; 90; 90; 90;  

COD ID: 1509327
CIF file Formula: - Ag F6 P -
Comments: Hagiwara, R.; Kitashita, K.; Tamada, O.; Ito, Y. Crystal structure of Ag P F6 and Ag As F6 at ambient temperatures Solid State Sciences 2 (2000) 237-241
Space group: F m -3 m
Cell volume: 430.506
Cell parameters: 7.5508; 7.5508; 7.5508; 90; 90; 90;  

COD ID: 1510273
CIF file Formula: - Au Pb3 -
Comments: Wang, R.; Giessen, B.C. A B-element-rich representative of the alpha - V3 S type: Au Pb3 Metallurgical Transactions 2 (1971) 2195-2197
Space group: I -4 2 m
Cell volume: 840.515
Cell parameters: 11.959; 11.959; 5.877; 90; 90; 90;  

COD ID: 1510279
CIF file Formula: - Au Pt Ti6 -
Comments: Pietrokowsky, P. Phase relationships in the system Ti3 Au - Ti3 Pt Scripta Metallurgica 2 (1968) 379-383
Space group: P m -3 n
Cell volume: 129.708
Cell parameters: 5.062; 5.062; 5.062; 90; 90; 90;  

COD ID: 1510436
CIF file Formula: - Au2 In Y -
Comments: Wernick, J.H.; Bernardini, J.E.; Hull, G.W.; Geballe, T.H.; Waszczak, J.V. Superconductivity in ternary Heusler intermetallic compounds Materials Letters 2 (1983) 90-92
Space group: F m -3 m
Cell volume: 329.224
Cell parameters: 6.905; 6.905; 6.905; 90; 90; 90;  

COD ID: 1510502
CIF file Formula: - Au0.12 Cu3.88 -
Comments: Brockhouse, B.N.; Hallman, E.D.; Ng, S.C. Characterization of large alloy single crystals by neutron diffraction Materials Research Bulletin 2 (1967) 69-73
Space group: F m -3 m
Cell volume: 47.951
Cell parameters: 3.633; 3.633; 3.633; 90; 90; 90;  

COD ID: 1510635
CIF file Formula: - B2 Cr0.5 Mo0.5 -
Comments: Post, B.; Moskowitz, D.; Glaser, F.W. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 24.48
Cell parameters: 3.01; 3.01; 3.12; 90; 90; 120;  

COD ID: 1510636
CIF file Formula: - B2 Cr0.5 Ta0.5 -
Comments: Post, B.; Glaser, F.W.; Moskowitz, D. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 25.438
Cell parameters: 3.025; 3.025; 3.21; 90; 90; 120;  

COD ID: 1510638
CIF file Formula: - B2 Cr0.5 Ti0.5 -
Comments: Glaser, F.W.; Post, B.; Moskowitz, D. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 24.311
Cell parameters: 2.99; 2.99; 3.14; 90; 90; 120;  

COD ID: 1510639
CIF file Formula: - B2 Cr0.5 V0.5 -
Comments: Moskowitz, D.; Glaser, F.W.; Post, B. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 23.575
Cell parameters: 2.99; 2.99; 3.045; 90; 90; 120;  

COD ID: 1510641
CIF file Formula: - B2 Cr -
Comments: Moskowitz, D.; Glaser, F.W.; Post, B. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 23.452
Cell parameters: 2.97; 2.97; 3.07; 90; 90; 120;  

COD ID: 1510710
CIF file Formula: - B2 Hf0.5 Ti0.5 -
Comments: Moskowitz, D.; Glaser, F.W.; Post, B. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 27.76
Cell parameters: 3.085; 3.085; 3.368; 90; 90; 120;  

COD ID: 1510760
CIF file Formula: - B2 Mo0.5 Ti0.5 -
Comments: Glaser, F.W.; Post, B.; Moskowitz, D. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 25.575
Cell parameters: 3.035; 3.035; 3.206; 90; 90; 120;  

COD ID: 1510761
CIF file Formula: - B2 Mo0.5 Zr0.5 -
Comments: Post, B.; Glaser, F.W.; Moskowitz, D. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 28.023
Cell parameters: 3.085; 3.085; 3.4; 90; 90; 120;  

COD ID: 1510775
CIF file Formula: - B2 Nb0.5 Ti0.5 -
Comments: Glaser, F.W.; Moskowitz, D.; Post, B. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 26.468
Cell parameters: 3.06; 3.06; 3.264; 90; 90; 120;  

COD ID: 1510777
CIF file Formula: - B2 Nb0.5 Zr0.5 -
Comments: Post, B.; Moskowitz, D.; Glaser, F.W. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 28.979
Cell parameters: 3.128; 3.128; 3.42; 90; 90; 120;  

COD ID: 1510835
CIF file Formula: - B2 Ta0.5 Ti0.5 -
Comments: Moskowitz, D.; Glaser, F.W.; Post, B. Transition metal diborides Acta Metallurgica 2 (1954) 20-25
Space group: P 6/m m m
Cell volume: 26.15
Cell parameters: 3.05; 3.05; 3.246; 90; 90; 120;  


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