Crystallography Open Database

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1534580 CIFCo6 Ge6 MgP 6/m m m5.0709; 5.0709; 7.7446
90; 90; 120
172.465Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P.
Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6
Chemistry - A European Journal, 2006, 12, 1924-1930
1536439 CIFC K2 O2.4999P 63/m m c5.69484; 5.69484; 7.33013
90; 90; 120
205.876Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
3000048 CIFAl0.84 N1.69 O35.24 Zn2.16R -3 m :H3.080972; 3.080972; 26.778308
90; 90; 120
220.135Conterosito, Eleonora; Palin, Luca; Antonioli, Diego; Viterbo, Davide; Mugnaioli, Enrico; Kolb, Ute; Perioli, Luana; Milanesio, Marco; Gianotti, Valentina
Structural Characterisation of Complex Layered Double Hydroxides and TGA-GC-MS Study on Thermal Response and Carbonate Contamination in Nitrate- and Organic-Exchanged Hydrotalcites
Chemistry - A European Journal, 2015, 21, 14975-14986
1536441 CIFC O3 Rb2P 63/m m c5.89596; 5.89596; 7.80268
90; 90; 120
234.9Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1534958 CIFN9 SbR -3 :R7.6998; 7.6998; 7.6998
55.787; 55.787; 55.787
291.257Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.
First structural characterization of binary As(III) and Sb(III) azides
Chemistry - A European Journal, 2004, 10, 508-517
1535833 CIFC2 K N3P b c m8.36518; 6.46898; 7.21266
90; 90; 90
390.307Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535841 CIFC2 K N3P n m a8.55404; 3.87802; 12.5273
90; 90; 90
415.565Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535837 CIFC2 K N3P 1 21/n 17.26924; 15.96335; 3.87037
90; 111.878; 90
416.777Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1536449 CIFC O3 Rb2P 1 21/c 15.8745; 10.129; 7.30725
90; 97.2921; 90
431.285Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1535848 CIFC2 N3 RbP b c m8.56092; 6.61711; 7.65067
90; 90; 90
433.399Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535475 CIFHg K2 Se4 SnI -4 2 m8.0681; 8.0681; 6.9497
90; 90; 90
452.385Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S.
Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-}
Chemistry - A European Journal, 2004, 10, 5147-5157
1536445 CIFC O3 Rb2P n m a7.684; 5.8912; 10.1437
90; 90; 90
459.185Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536486 CIFLa Se Te2C m c m4.309; 25.481; 4.321
90; 90; 90
474.436Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T.
La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound
Chemistry - A European Journal, 2003, 9, 5865-5872
1528730 CIFBi2 O6 WB 2 c b5.533997; 5.49983; 16.55071
90; 90; 90
503.738McDowell, N.A.; Knight, K.S.; Lightfoot, P.
Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6
Chemistry - A European Journal, 2006, 12, 1493-1499
1535148 CIFAs Cu F7I m m a10.732; 6.941; 6.814
90; 90; 90
507.58Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.
Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6
Chemistry - A European Journal, 2004, 10, 5052-5058
1510869 CIFB29 Na2I 1 m 15.874; 10.403; 8.359
90; 90.17; 90
510.793Eckert, H.; Fild, C.; Gruehn, R.; Albert, B.; Hofmann, K.; Schleifer, M.
"Na B15": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state NMR spectroscopy
Chemistry - A European Journal, 2000, 6, 2531-2536
1528731 CIFBi2 O6 WA 1 2/m 18.37422; 3.854296; 16.44044
90; 102.334; 90
518.396McDowell, N.A.; Knight, K.S.; Lightfoot, P.
Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6
Chemistry - A European Journal, 2006, 12, 1493-1499
6000243 CIFN7 Na P4C 1 2/c 112.3345; 8.523; 5.1397
90; 102.572; 90
527.37Landskron, K.; Irran, E.; Schnick, W.
High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction
Chemistry - a European Journal, 1999, 5, 2548-2553
1536929 CIFFe17.426 Yb1.787P 63/m m c8.5965; 8.5965; 8.3871
90; 90; 120
536.767Filinchuk, Y.E.; Yvon, K.; Cerny, R.; Birkedal, H.; Yanson, T.I.; Hostettler, M.; Bodak, O.I.
Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy
Chemistry - A European Journal, 2004, 10, 2972-2976
1510376 CIFAu2 Cd2 Rb2 S4P c c a13.93; 5.757; 6.742
90; 90; 90
540.675Kanatzidis, M.G.; Axtell, E.A.
First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates
Chemistry - A European Journal, 1998, 4, 2435-2441
1536387 CIFIn4 La NiC m c m4.482; 16.895; 7.221
90; 90; 90
546.799Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Chemistry - A European Journal, 2001, 7, 5343-5349
1510375 CIFAu2 Cd2 Cs2 S4C m m a6.5833; 14.055; 6.0369
90; 90; 90
558.584Axtell, E.A.; Kanatzidis, M.G.
First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = Rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates
Chemistry - A European Journal, 1998, 4, 2435-2441
6000244 CIFK N7 P4P n m a12.2387; 9.8485; 4.6651
90; 90; 90
562.3Landskron, K.; Irran, E.; Schnick, W.
High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction
Chemistry - a European Journal, 1999, 5, 2548-2553
6000245 CIFN7 P4 RbP n m a12.3107; 9.8946; 4.6844
90; 90; 90
570.6Landskron, K.; Irran, E.; Schnick, W.
High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction
Chemistry - a European Journal, 1999, 5, 2548-2553
1534962 CIFAs N9P 1 21/c 17.3263; 11.7162; 6.9865
90; 107.219; 90
572.818Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O.
First Structural Characterization of Binary AsIII and SbIII Azides
Chemistry - A European Journal, 2004, 10, 508-517
6000246 CIFCs N7 P4P n m a12.4205; 9.9782; 4.7162
90; 90; 90
584.5Landskron, K.; Irran, E.; Schnick, W.
High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction
Chemistry - a European Journal, 1999, 5, 2548-2553
1100224 CIFC11 H19 N O3P -15.6138; 7.0575; 15.9015
96.654; 95.454; 109.173
585.075Bach, Thorsten; Schlummer, Björn; Harms, Klaus
Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
Chemistry - A European Journal, 2001, 7, 2581-2594
1528801 CIFC2 H6 Mn O6P 1 21/c 18.808; 7.2136; 9.6203
90; 97.693; 90
605.747Poulsen, R.D.; Overgaard, J.; Jorgensen, M.R.V.; Iversen, B.B.; Morgenroth, W.; Larsen, F.K.; Graber, T.; Chen Yusheng
Synchrotron x-ray charge-density study of coordination polymer [Mn (H C O O)2 (H2 O)2](infinite)
Chemistry - A European Journal, 2007, 13, 9775-9790
1536437 CIFC2 O6 Rb2P 1 21/c 17.91288; 10.51173; 7.55593
90; 102.001; 90
614.75Dinnebier, R.E.; Vensky, S.; Jansen, M.
Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6)
Chemistry - A European Journal, 2003, 9, 4391-4395
1535230 CIFH9 O15 P3 Zn2.5P -18.475; 9.869; 9.889
112.06; 111.97; 96.99
677.004Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G.
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
Chemistry - A European Journal, 2004, 10, 2795-2803
1100201 CIFC14 H12 Cl2 O SP 19.018; 9.6771; 9.974
71.564; 62.985; 62.938
683.92Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus
Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents
Chemistry - A European Journal, 2000, 6, 3359-3365
1511450 CIFB Ba4 N26 O Si12 Sm7P -612.1597; 12.1597; 5.428
90; 90; 120
695.05Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D.
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Chemistry - A European Journal, 2001, 7, 2791-2797
1100202 CIFC14 H12 Br Cl O SP 19.1121; 9.7596; 9.9764
84.681; 62.893; 63.397
699.198Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus
Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents
Chemistry - A European Journal, 2000, 6, 3359-3365
1511448 CIFB Ba4 N26 Nd7 O Si12P -612.2255; 12.2255; 5.446
90; 90; 120
704.923Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Chemistry - A European Journal, 2001, 7, 2791-2797
1100177 CIFC15 H15 Cl O SP 1 21 17.685; 5.006; 18.58
90; 97.94; 90
707.941Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus
Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents
Chemistry - A European Journal, 2000, 6, 3359-3365
1511449 CIFB Ba4 N26 O Pr7 Si12P -612.2568; 12.2568; 5.4483
90; 90; 120
708.836Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D.
Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)
Chemistry - A European Journal, 2001, 7, 2791-2797
1541849 CIFC4 H2 Mn N6 OA m a 27.5743; 17.45329; 5.6353
90; 90; 90
744.967Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B.
Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide
Chemistry - A European Journal, 2000, 6, 3186-3195
1525952 CIFAl3 H7 O16 Pb2 Si3P -4 3 n9.07; 9.07; 9.07
90; 90; 90
746.143Eiden-Assmann, S.; Engelhardt, G.; Behrens, P.; Schneider, A.M.; Wiebcke, M.; Felsche, J.
Lead hydro sodalite (Pb2 (O H) (H2 O)3)2 (Al3 Si3 O12)2 : synthesis and structure determination by combining X-ray Rietveld refinement, (1)H MAS NMR, FTIR and XANES spectroscopy
Chemistry - A European Journal, 2000, 6, 292-297
1536176 CIFBa P4 Te2P n m a16.486; 6.484; 7.076
90; 90; 90
756.391Joergens, S.; Johrendt, D.; Mewis, A.
Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus
Chemistry - A European Journal, 2003, 9, 2405-2410
1100221 CIFC7 H10 Cl N O2P 1 21/c 15.3339; 12.4601; 11.8203
90; 93.864; 90
783.802Bach, Thorsten; Schlummer, Björn; Harms, Klaus
Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
Chemistry - A European Journal, 2001, 7, 2581-2594
1100244 CIFC19 H23 N OP 1 21 111.657; 5.3217; 13.483
90; 107.81; 90
796.334Bach, Thorsten; Brummerhop, Harm; Harms, Klaus
The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles
Chemistry - A European Journal, 2000, 6, 3838-3848
1536932 CIFFe11.21 Ga0.27 Yb1.26P 63/m m c8.5965; 8.5965; 12.5806
90; 90; 120
805.147Filinchuk, Y.E.; Birkedal, H.; Cerny, R.; Hostettler, M.; Yanson, T.I.; Bodak, O.I.; Yvon, K.
Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy
Chemistry - A European Journal, 2004, 10, 2972-2976
1100226 CIFC16 H27 N O3P -19.3539; 9.4338; 10.2406
91.805; 104.889; 109.986
813.611Bach, Thorsten; Schlummer, Björn; Harms, Klaus
Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
Chemistry - A European Journal, 2001, 7, 2581-2594
1560296 CIFC6 H9 N3 O4P 1 21/n 112.191; 5.344; 13.545
90; 112.401; 90
815.8Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd
Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction
Chemistry - A European Journal, 2007, 13, 6139-6149
1100644 CIFC30 H40 Cl2 N2 O6 Zn2P -18.6024; 10.1643; 10.2254
86.61; 79.601; 69.707
824.81Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W.
Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles
Chemistry - A European Journal, 1998, 4, 814-817
1528523 CIFCl0.5 Eu H4.1 O3.3P 21 21 212.9152; 7.3761; 8.7016
90; 90; 90
828.948Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F.
New layered rare-earth hydroxides with anion-exchange properties
Chemistry - A European Journal, 2008, 14, 9255-9260
1560297 CIFC6 H9 N3 O4P 1 21/c 14.4215; 20.224; 9.3
90; 93.496; 90
830.1Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd
Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction
Chemistry - A European Journal, 2007, 13, 6139-6149
1004032 CIFC12 H43 F6 Ga5 N4 O22 P4P -18.735; 8.864; 12.636
98.36; 100.18; 115.84
838.9Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.
Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23
Chemistry - A European Journal, 2002, 8, 1614-1620
1573952 CIFC14 H14 Co N4 O2 S2P -18.9702; 10.4183; 10.8645
66.2; 67.928; 82.794
860.49MichaƂ Rams; Aleksej Jochim; Michael Böhme; Thomas Lohmiller; Magdalena Ceglarska; Marek M. Rams; Alexander Schnegg; Winfried Plass; Christian Näther
Single-Chain Magnet Based on Cobalt(II) Thiocyanate as XXZ Spin Chain
Chemistry - A European Journal, 2020, 26, 2837-2851
1536390 CIFIn5.64 La Ni7.36I b a m8.066; 9.248; 12.465
90; 90; 90
929.819Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Chemistry - A European Journal, 2001, 7, 5343-5349

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