Crystallography Open Database
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Searching space group like 'P 21 21 21'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000001 | CIF | C107 H142 N14 O26 | P 21 21 21 | 48.48; 21.72; 10.74 90; 90; 90 | 11309.1 | Bachet, Bernard; Soyer, Alain; Billy, Isabelle; Mornon, Jean-Paul Pristinamycin complex solved using Shake-and-Bake |
| 1000006 | CIF | C22 H25 Cl N2 O8 | P 21 21 21 | 10.93; 12.7162; 15.7085 90; 90; 90 | 2183.3 | Armel Le Bail Personal Communication to COD |
| 1000129 | CIF | Al Ba F5 | P 21 21 21 | 13.7168; 5.6054; 4.9329 90; 90; 90 | 379.3 | Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M. Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions Journal of Solid State Chemistry, 1990, 89, 282-291 |
| 1000136 | CIF | H2 K2 O10 Si3 Ti | P 21 21 21 | 7.1362; 9.9084; 12.9414 90; 90; 90 | 915.1 | Dadachov, M S; Le Bail, A Structure of zeolitic K2 Ti Si3 O9 . (H2 O) determined ab initio from powder diffraction data European Journal of Solid State Inorganic Chemistry, 1997, 34, 381-390 |
| 1000306 | CIF | F6 Fe Na Sr | P 21 21 21 | 5.4053; 9.3103; 10.3823 90; 90; 90 | 522.5 | Hemon, A.; Courbion, G. Synthesis and crystal structures of β-NaSrCrF~6~ and NaSrFeF~6~. Structural correlations with A~2~MF~6~ compounds European Journal of Solid State and Inorganic Chemistry, 1992, 29, 519-531 |
| 1000349 | CIF | F0.5 Ga H4.43 N0.93 O4.57 P | P 21 21 21 | 9.593; 9.742; 9.981 90; 90; 90 | 932.8 | Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2 Journal of Solid State Chemistry, 1993, 105, 179-190 |
| 1000350 | CIF | Al F0.675 H4.205 N0.88 O4.445 P | P 21 21 21 | 9.416; 9.563; 9.933 90; 90; 90 | 894.4 | Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2 Journal of Solid State Chemistry, 1993, 105, 179-190 |
| 1000488 | CIF | Al2 F2 O8 P2 Sr | P 21 21 21 | 12.026; 12.199; 4.666 90; 90; 90 | 684.5 | Le Meins, J.-M.; Courbion, G. Hydrothermal synthesis and crystal structure of SrAl~2~(PO~4~)~2~F~2~: a new three-dimensional framework with channels delimited by a helical anionic border European Journal of Solid State and Inorganic Chemistry, 1998, 35, 639-653 |
| 1001209 | CIF | O32 P4 W8 | P 21 21 21 | 5.285; 6.569; 17.351 90; 90; 90 | 602.4 | Giroult, J P; Goreaud, M; Labbe, P H; Raveau, B P~4~ W~8~ O~32~: A mixed-valence tunnel structure built up of Re O~3~ - type slabs connected through P O~4~ tetrahedra Acta Crystallographica B (24,1968-38,1982), 1981, 37, 2139-2142 |
| 1001335 | CIF | O11 P W3 | P 21 21 21 | 5.2927; 6.5604; 23.549 90; 90; 90 | 817.7 | Labbe, P; Goreaud, M; Raveau, B Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8) Journal of Solid State Chemistry, 1986, 61, 324-331 |
| 1001336 | CIF | O14 P W4 | P 21 21 21 | 5.2943; 6.5534; 29.7 90; 90; 90 | 1030.5 | Labbe, P; Goreaud, M; Raveau, B Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8) Journal of Solid State Chemistry, 1986, 61, 324-331 |
| 1001593 | CIF | K O17 P4 V3 | P 21 21 21 | 7.8654; 10.0104; 16.2715 90; 90; 90 | 1281.1 | Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B A new mixed-valence vanadium phosphate with an intersecting tunnel structure: KV~3~P~4~O~17~ Journal of Solid State Chemistry, 1992, 97, 131-140 |
| 1001821 | CIF | O80 P4 W24 | P 21 21 21 | 5.312; 6.5557; 42.196 90; 90; 90 | 1469.4 | Roussel, P; Mather, G; Domenges, B; Groult, D; Labbe, P Structural investigation of P4 W24 O80: A new monophosphate tungsten bronze Acta Crystallographica B (39,1983-), 1998, 54, 365-375 |
| 1004030 | CIF | C5 H17 N O10 P2 Zn | P 21 21 21 | 9.976; 10.359; 12.98 90; 90; 90 | 1341.4 | Simon, A.; Josien, L.; Gramlich, V.; Patarin, J. Synthesis and characterization of Mu-19, a new zincophosphate with a three dimensional 12-membered ring channel system Microporous and Mesoporous Materials, 2001, 47, 135-146 |
| 1004043 | CIF | Al Cl4 Na | P 21 21 21 | 9.886; 6.617; 10.322 90; 90; 90 | 675.2 | Mairesse, G; Barbier, P; Wignacourt, J P Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H~4~) Tetrachloroaluminates, M Al Cl~4~ Acta Crystallographica B (24,1968-38,1982), 1979, 35, 1573-1580 |
| 1004059 | CIF | Al Cl4 Na | P 21 21 21 | 10.322; 9.886; 6.167 90; 90; 90 | 629.3 | Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des Spectres de Diffusion Raman de la Famille des M Al Cl~4~ (M= Li, Na, K, Rb, Cs, NO, NH~4~) a l'Etat Solide Journal of Raman Spectroscopy, 1980, 9, 55-61 |
| 1004069 | CIF | Al Cl4 Na | P 21 21 21 | 10.322; 9.886; 6.167 90; 90; 90 | 629.3 | Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P Etude structurale du tetrachloroaluminate de sodium. Comparaison des spectres de diffusion raman de la famille des M Al Cl~4~ (M=Li, Na, K, Rb, Cs, No, Nh~4~,) a l'etat solide Journal of Raman Spectroscopy, 1980, 9, 55-61 |
| 1004124 | CIF | B3 O5 Tl | P 21 21 21 | 5.2099; 8.248; 10.206 90; 90; 90 | 438.6 | Touboul, M; Betourne, E; Nowogrocki, G Crystal structure of thallium triborate, Tl B3 O5 Journal of Solid State Chemistry, 1997, 131, 370-373 |
| 1005021 | CIF | Ba5 N6 Si2 | P 21 21 21 | 6.159; 10.305; 15.292 90; 90; 90 | 970.6 | Yamane, H; DiSalvo, F J Preparation and crystal structure of a new barium silicon nitride, Ba5 Si2 N6 Journal of Alloys Compd., 1996, 240, 33-36 |
| 1007050 | CIF | Ba O6 P2 | P 21 21 21 | 4.51; 13.44; 8.36 90; 90; 90 | 506.7 | Grenier, J C; Martin, C; Durif, A; Tranqui, D; Guitel, J C Une nouvelle forme du metaphosphate de baryum Ba (P O~3~)~2~ Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1967, 90, 24-31 |
| 1007151 | CIF | Hg K O9 P3 | P 21 21 21 | 11.164; 12.46; 5.622 90; 90; 90 | 782 | Averbuch-Pouchot, M T; Durif, A Structure of mercury potassium trimetaphosphate Acta Crystallographica C (39,1983-), 1986, 42, 930-931 |
| 1007221 | CIF | C4 H28 Cl N12 O6 P | P 21 21 21 | 14.038; 13.906; 9.961 90; 90; 90 | 1944.5 | Averbuch-Pouchot, M.-T.; Durif, A. Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers, 1993, 317, 1179-1184 |
| 1007241 | CIF | Cu Li O9 P3 | P 21 21 21 | 8.703; 8.197; 8.613 90; 90; 90 | 614.4 | Laugt, M; Durif, A Etude systematique des phosphates condenses Seminaire de Chimie de l'Etat Solide 1971-72, 1972, 1972, 157-175 |
| 1007263 | CIF | Be K O9 P3 | P 21 21 21 | 7.855; 8.61; 11.399 90; 90; 90 | 770.9 | Durif, A; Averbuch-Pouchot, M T; Guitel, J C Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1986, 177, 139-142 |
| 1008047 | CIF | Fe H0.5 O6 V2 | P 21 21 21 | 4.891; 9.553; 8.786 90; 90; 90 | 410.5 | Muller, J; Joubert, J C; Marezio, M Synthese et structure cristalline d'un nouvel oxyde mixte Fe V~2~ O~6~ H~0.5~. Relation avec la structure type Diaspore Journal of Solid State Chemistry, 1979, 27, 367-382 |
| 1008552 | CIF | Cs2 O8 P2 Ti | P 21 21 21 | 7.275; 9.452; 13.569 90; 90; 90 | 933 | Protas, J; Menaert, B; Marnier, G; Boulanger, B Structure cristalline de Cs~2~TiO(P~2~O~7~) Acta Crystallographica C (39,1983-), 1991, 47, 698-701 |
| 1010147 | CIF | As Br3 | P 21 21 21 | 10.15; 12.07; 4.31 90; 90; 90 | 528 | Braekken, H Die Kristallstruktur von Arsen- und Antimontribromid Kongelige Norske Videnskapers Selskab, Forhandlinger, 1935, 8, 3-3 |
| 1010763 | CIF | As2 Pb S4 | P 21 21 21 | 19.48; 4.15; 7.86 90; 90; 90 | 635.4 | Peacock, M A; Berry, L G Roentgenographic observations on ore minerals University of Toronto Studies, Geological Series, 1940, 44, 47-69 |
| 1011223 | CIF | H2 O2 Zn | P 21 21 21 | 5.16; 8.53; 4.92 90; 90; 90 | 216.6 | Corey, R B; Wyckoff, R W G The crystal structure of zinc hydroxide Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1933, 86, 8-18 |
| 1011297 | CIF | H14 Ni O11 S | P 21 21 21 | 11.86; 12.08; 6.81 90; 90; 90 | 975.7 | Beevers, C A; Schwartz, C M The crystal structure of nickel sulphate heptahydrate Ni S O4 (H2 O)7 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 91, 157-169 |
| 1100089 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.2 | Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1973, 1973, 816-821 |
| 1100091 | CIF | H14 Mg O11 S | P 21 21 21 | 11.868; 11.996; 6.857 90; 90; 90 | 976.2 | Baur, W H On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite) Acta Crystallographica (1,1948-23,1967), 1964, 17, 1361-1369 |
| 1100101 | CIF | H14 Mg O11 S | P 21 21 21 | 11.887; 12.013; 6.861 90; 90; 90 | 979.7 | Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M. Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms Acta Crystallographica Section B, 1984, 40, 218-222 |
| 1100173 | CIF | C15 H22 N2 O4 | P 21 21 21 | 9.3531; 10.5002; 15.9 90; 90; 90 | 1561.53 | Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone European Journal of Organic Chemistry, 1999, 1999, 2977-2990 |
| 1100183 | CIF | C23 H39 Cl2 N O3 | P 21 21 21 | 8.52; 12.123; 24.105 90; 90; 90 | 2489.76 | T.Bach; H.Bergmann; K.Harms Angew.Chem.,Int.Ed.Engl., 2000, 39, 2302 |
| 1100189 | CIF | C22 H28.66 N2 O2.33 | P 21 21 21 | 7.6041; 15.9342; 16.4592 90; 90; 90 | 1994.28 | Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution Synthesis, 2001, 2001, 1395-1405 |
| 1100190 | CIF | C22 H28.66 N2 O2.33 | P 21 21 21 | 7.6183; 16.092; 16.4887 90; 90; 90 | 2021.41 | Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution Synthesis, 2001, 2001, 1395-1405 |
| 1100208 | CIF | C6 H17 I N P | P 21 21 21 | 7.121; 12.333; 12.571 90; 90; 90 | 1104.03 | Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K. Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^ Zeitschrift für Anorganische und Allgemeine Chemie, 2000, 626, 775-783 |
| 1100249 | CIF | C21 H29 N O3 | P 21 21 21 | 7.2624; 8.541; 30.4681 90; 90; 90 | 1889.88 | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus Enantioselective Photochemical Reactions of 2-Pyridones in Solution Organic Letters, 2001, 3, 601-603 |
| 1100250 | CIF | C28 H50 O8 | P 21 21 21 | 10.0153; 16.3832; 17.871 90; 90; 90 | 2932.32 | K.Harms Private Communication, 2002 |
| 1100264 | CIF | C13 H13 N O S | P 21 21 21 | 5.753; 8.297; 25.098 90; 90; 90 | 1197.99 | Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry, 2002, 2002, 439-452 |
| 1100277 | CIF | C19 H24 O8 | P 21 21 21 | 6.056; 14.434; 21.298 90; 90; 90 | 1861.71 | Harms, K.; Sheldrick, G. M.; Glüsenkamp, K.-H.; Tietze, L.-F. An enantiospecific hetero Diels-Alder product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1268-1269 |
| 1100282 | CIF | C31 H32 O7 | P 21 21 21 | 8.424; 14.773; 22.165 90; 90; 90 | 2758.38 | Harms, K.; Sheldrick, G. M.; Glüsenkamp, K. H.; Tietze, L. F. Structure of a photolysis product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1269-1271 |
| 1100284 | CIF | C16 H16 N2 O4 | P 21 21 21 | 7.779; 9.332; 19.627 90; 90; 90 | 1424.8 | Harms, K.; Sheldrick, G. M.; Tietze, L.-F. Stereochemistry of a hetero-Diels-Alder product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1664-1665 |
| 1100292 | CIF | C11 H14 O5 | P 21 21 21 | 8.116; 9.684; 13.998 90; 90; 90 | 1100.18 | Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C. Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1980, 36, 3156-3157 |
| 1100309 | CIF | C9 H20 Cl N O | P 21 21 21 | 7.44; 11.609; 12.295 90; 90; 90 | 1061.93 | Harms, K.; Sheldrick, G. M.; Fischer, R.; Tietze, L. F. [(1RS,2RS,3SR)-3-Hydroxy-2-methylcyclopentyl]trimethylammonium chloride Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1980, 36, 3206-3208 |
| 1100312 | CIF | C56 H64 Li2 N2 O2 | P 21 21 21 | 15.141; 15.338; 20.827 90; 90; 90 | 4836.71 | Ahlbrecht, Hubertus; Boche, Gernot; Harms, Klaus; Marsch, Michael; Sommer, Horst Chirale Homoenolat-Äquivalente, IV. Kristallstruktur einer chiralen 1-Aminoallyllithium-Verbindung: dimeres, intramolekular chelatisiertes (3S)-3-Lithio-1-[(S)-2-(methoxymethyl)pyrrolidino]-1,3-diphenylpropen Chemische Berichte, 1990, 123, 1853-1858 |
| 1100314 | CIF | C20 H28 N2 O4 | P 21 21 21 | 9.939; 8.52; 23.674 90; 90; 90 | 2004.72 | Priepke, Henning; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter ‒ Diastereocontrol by Allylic Nitrogen Chemische Berichte, 1990, 123, 555-563 |
| 1100319 | CIF | C12 H16 Cl4 O2 Sn | P 21 21 21 | 9.695; 12.819; 13.696 90; 90; 90 | 1702.14 | Reetz, M. T.; Harms, K.; Reif, W. An X-ray structural analysis of a chiral α-alkoxy-ketone/SnCl~4~ chelate Tetrahedron Letters, 1988, 29, 5881-5884 |
| 1100324 | CIF | C53 H71 Co N6 O14 | P 21 21 21 | 15.595; 18.672; 19.023 90; 90; 90 | 5539.3 | Battersby, A. R.; Grgurina, I.; Raithby, P. R.; Egert, E.; Harms, K.; Sheldrick, G. M. Structure of dicyano-15-norcobyrinic acid heptamethyl ester Acta Crystallographica, Section C: Crystal Structure Communications, 1989, 45, 1589-1593 |
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