Crystallography Open Database
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Searching space group like 'P 1 21 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000131 | CIF | Al Ba F5 | P 1 21 1 | 5.2584; 9.7298; 7.3701 90; 90.875; 90 | 377 | 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 |
| 1000140 | CIF | Ca H2 Na2 O8 P2 | P 1 21 1 | 9.0652; 7.1468; 5.47 90; 98.782; 90 | 350.2 | Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data European Journal of Solid State Inorganic Chemistry, 1997, 34, 937-946 |
| 1000373 | CIF | F2 Na O2 V | P 1 21 1 | 6.399; 3.59; 7.22 90; 110.29; 90 | 155.6 | Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Abrabri, M Synthesis and crystal structure of Na V O2 F2 European Journal of Solid State Inorganic Chemistry, 1994, 31, 957-965 |
| 1001234 | CIF | O38 P4 W10 | P 1 21 1 | 6.5656; 5.285; 20.573 90; 96.18; 90 | 709.7 | Benmoussa, A; Labbe, P; Groult, D; Raveau, B Mixed Valence Tungsten Oxides with a Tunnel Structure, P~4~ W~4n~ O~12n+8~: A Nonintegral Member P~4~ W~10~ O~38~ (n=2.5) Journal of Solid State Chemistry, 1982, 44, 318-325 |
| 1001408 | CIF | Mo8 O52 P12 Rb4 | P 1 21 1 | 6.3847; 19.088; 9.7366 90; 107.05; 90 | 1134.5 | Riou, D; Goreaud, M Rb~4~ Mo~8~ P~12~ O~52~, a Molybdenophosphate of the Cs~4~ Mo~8~ P~12~ O~52~ Type: Structure and Properties of Host Framework Journal of Solid State Chemistry, 1989, 79, 99-106 |
| 1001451 | CIF | Fe Li O7 P2 | P 1 21 1 | 4.8229; 8.0813; 6.9419 90; 109.387; 90 | 255.2 | Riou, D; Nguyen, N; Benloucif, R; Raveau, B LiFeP~2~O~7~: Structure and magnetic properties Materials Research Bulletin, 1990, 25, 1363-1369 |
| 1001468 | CIF | Na O5 P V | P 1 21 1 | 6.5296; 8.4643; 7.1228 90; 115.237; 90 | 356.1 | Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B Synthesis and crystal structure of a new vanadium IV phosphate: NaVPO~5~ Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993), 1992, 314, 585-589 |
| 1001699 | CIF | Na4 Nb8 O32 P4 | P 1 21 1 | 6.635; 5.352; 17.967 90; 90.33; 90 | 638 | Costentin, G; Borel, M M; Grandin, A; Leclaire, A; Raveau, B Phosphate niobium bronzes and bronzoids with the MPTBP structure: Na4 Nb8 P4 O32 and Na4-x Ax Nb7 M P4 O32 fourth members of the series Ax (P O2)4 (Nb O3)2m Materials Research Bulletin, 1991, 26, 1051-1057 |
| 1001767 | CIF | Li Mo O7 P2 | P 1 21 1 | 4.8984; 8.3919; 7.034 90; 109.33; 90 | 272.8 | Ledain, S; Leclaire, A; Borel, M M; Raveau, B Li Mo P2 O7 Acta Crystallographica C (39,1983-), 1996, 52, 1593-1594 |
| 1004010 | CIF | C6 H18 Al F5 N2 | P 1 21 1 | 7.898; 5.514; 12.672 90; 103.69; 90 | 536.182 | S.P.Thanh; J.Renaudin; V.Maisonneuve Solid State Sciences, 2000, 2, 143 |
| 1006164 | CIF | H6 Hf O10 P2 | P 1 21 1 | 5.3499; 6.5949; 12.3939 90; 98.594; 90 | 432.4 | Suarez, M; Barcina, L M; Llavona, R; Rodriguez, J; Salvado, M A; Pertierra, P; Garcia-Granda, S Synthesis, crystal structure and intercalation behaviour of hafnium phosphate dihydrogenphosphate dihydrate Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1998, 1998, 99-102 |
| 1008190 | CIF | H2 Li2 O5 S | P 1 21 1 | 5.4537; 4.857; 8.1734 90; 107.367; 90 | 206.6 | Smith, H G; Peterson, S W; Levy, H A Neutron-diffraction study of lithium sulfate monohydrate Journal of Chemical Physics, 1968, 48, 5561-5565 |
| 1008291 | CIF | O14 P4 Rb2 Zn3 | P 1 21 1 | 13.22; 7.224; 7.196 90; 92.08; 90 | 686.8 | Averbuch-Pouchot, M T Crystal data on Zn~3~ Rb~2~ (P~2~ O~7~)~2~ and Co~3~ Rb~2~ (P~2~ O~7~)~2~ Zeitschrift fuer Kristallographie (149,1979-), 1985, 171, 113-119 |
| 1008658 | CIF | Cs2 H16 O26 P6 Zn2 | P 1 21 1 | 11.896; 12.663; 8.079 90; 94.33; 90 | 1213.5 | Abid, S; Rzaigui, M; Averbuch-Pouchot, M T Chemical preparation, structural investigation, and thermal behavior of a new cyclohexaphosphate: Zn~2~Cs~2~P~6~O~18~.8H~2~O Journal of Solid State Chemistry, 1994, 110, 180-184 |
| 1010246 | CIF | H2 Li2 O5 S | P 1 21 1 | 5.43; 4.83; 8.14 90; 107.58; 90 | 203.5 | Ziegler, G E The Crystal Structure of Lithium Sulphate Mono-Hydrate, Li~2~ S O~4~ (H~2~ O) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1934, 89, 456-461 |
| 1010803 | CIF | Al3 Ca H12 K O22 Si5 | P 1 21 1 | 10; 14.25; 8.62 90; 54.33; 90 | 997.9 | Wyart, J; Chatelain, P Etude cristallographique de la christianite Bulletin de la Societe Francaise de Mineralogie (-71,1948), 1938, 61, 121-126 |
| 1010917 | CIF | C2 Ba Ca O6 | P 1 21 1 | 8.15; 5.22; 6.58 90; 106.3; 90 | 268.7 | Gossner, B; Mussgnug, F Beitrag zur Kenntnis des Barytocalcits und seiner strukturellen Beziehungen zu anderen Stoffen Zentralblatt fuer Mineralogie und Geologie, A, 1930, 1930, 321-328 |
| 1011273 | CIF | Al2 Ba H12 O22 Si6 | P 1 21 1 | 9.8; 14.1; 8.66 90; 55.17; 90 | 982.3 | Sekanina, J; Wyart, J Sur l'harmotome Bulletin de la Societe Francaise de Mineralogie (-71,1948), 1937, 60, 139-145 |
| 1011274 | CIF | Al2 Ca4 H24 O19 | P 1 21 1 | 9.6; 11.4; 16.84 90; 69; 90 | 1720.6 | Tilley, C E; Megaw, H D; Hey, M H Hydrocalumite ((Ca O)4 (Al2 O3) (H2 O)12), a new mineral from Scawt Hill, Co. Antrim. Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968), 1934, 23, 607-615 |
| 1100115 | CIF | C8 H22 Al F5 N2 | P 1 21 1 | 7.887; 5.502; 15.812 90; 112.03; 90 | 636.053 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
| 1100116 | CIF | C10 H26 Al F5 N2 | P 1 21 1 | 7.881; 5.489; 18.36 90; 112.21; 90 | 735.303 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
| 1100117 | CIF | C12 H30 Al F5 N2 | P 1 21 1 | 7.8713; 5.4739; 20.898 90; 112.422; 90 | 832.354 | E.Goreshnik; M.Leblanc; E.Gaudin; F.Taulelle; V.Maisonneuve Structural and NMR studies of the series of related [H_3_ N(CH_2_)_x_ NH_3_]·AlF_5_ (x = 6, 8, 10, 12) hybrid compounds Solid State Sciences, 2002, 4, 1213-1219 |
| 1100172 | CIF | C8 H10 N2 O5 | P 1 21 1 | 10.432; 5.645; 16.783 90; 94.943; 90 | 984.65 | Bouchouit, Karim; Bendheif, Leulmi; Benali-Cherif, Nouredine D-Phenylglycinium nitrate Acta Crystallographica, Section E, 2004, 60, o272-o274 |
| 1100177 | CIF | C15 H15 Cl O S | P 1 21 1 | 7.685; 5.006; 18.58 90; 97.94; 90 | 707.941 | Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents Chemistry - A European Journal, 2000, 6, 3359-3365 |
| 1100184 | CIF | C12 H30 Eu I2 O6 | P 1 21 1 | 8.4889; 10.5945; 12.2789 90; 93.793; 90 | 1101.89 | T.Grob; G.Seybert; W.Massa; K.Harms; K.Dehnicke Z.Anorg.Allg.Chem., 2000, 626, 1361 |
| 1100212 | CIF | C24 H33 I3 N P Si2 | P 1 21 1 | 9.477; 10.476; 16.016 90; 105.96; 90 | 1528.79 | 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 |
| 1100231 | CIF | C37 H89 I2 In3 Si9 | P 1 21 1 | 9.1269; 24.8574; 13.5416 90; 102.491; 90 | 2999.48 | Uhl, Werner; Melle, Sandra; Geiseler, Gertraud; Harms, Klaus In~3~I~2~[C(SiMe~3~)~3~]~3~: Synthesis of a Diiodotrialkyltriindane(5) Containing Two In‒In Single Bonds Organometallics, 2001, 20, 3355-3357 |
| 1100242 | CIF | C17 H19 N S | P 1 21 1 | 9.56; 18.546; 9.671 90; 119; 90 | 1499.68 | Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus Asymmetric Synthesis of a Chiral Secondary Grignard Reagent Angewandte Chemie, International Edition, 2000, 39, 3072-3074 |
| 1100244 | CIF | C19 H23 N O | P 1 21 1 | 11.657; 5.3217; 13.483 90; 107.81; 90 | 796.334 | Bach, 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 |
| 1100259 | CIF | C16 H23 N3 O5 | P 1 21 1 | 10.8874; 11.2061; 14.4504 90; 108.246; 90 | 1674.38 | Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors Bioorganic & Medicinal Chemistry, 2001, 9, 2683-2691 |
| 1100265 | CIF | C29 H33 Br N2 O5 S2 | P 1 21 1 | 5.4024; 16.4819; 33.13 90; 91.4; 90 | 2949.07 | 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 |
| 1100266 | CIF | C29 H26 N2 O2 S2 | P 1 21 1 | 7.9433; 7.26; 21.921 90; 92.11; 90 | 1263.29 | 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 |
| 1100289 | CIF | C20 H19 N O3 | P 1 21 1 | 9.191; 16.567; 11.465 90; 101.93; 90 | 1708.04 | Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M. Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds Journal of the American Chemical Society, 1987, 109, 921-923 |
| 1100310 | CIF | C22 H28 O2 Se | P 1 21 1 | 10.298; 9.915; 10.835 90; 114.62; 90 | 1005.73 | Clegg, W.; Harms, K.; Sheldrick, G. M.; von Kiedrowski, G.; Tietze, L. F. (2S,6aR,10aR)-6,6,9-Trimethyl-1-oxo-2-phenylseleno-1,2,3,4,6a,7,8,9,10,10a-decahydro-6H-dibenzo[b,d]pyran Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1980, 36, 3159-3162 |
| 1100311 | CIF | C26 H37 Li N2 O3 | P 1 21 1 | 7.894; 16.227; 9.707 90; 101.01; 90 | 1220.54 | Enders, Dieter; Bachstädter, Gerhard; Kremer, Kenneth A. M.; Marsch, Michael; Harms, Klaus; Boche, Gernot Structure of a Chiral Lithium Azaenolate: Monomeric, Intramolecular Chelated Lithio-2-acetylnaphthalene-SAMP-hydrazone Angewandte Chemie, International Edition in English, 1988, 27, 1522-1524 |
| 1100316 | CIF | C15 H26 O3 Si | P 1 21 1 | 7.963; 10.014; 12.011 90; 109.22; 90 | 904.39 | Scheuplein, Stefan W.; Kusche, Andreas; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the [2,3] Witting Rearrangement by Chiral Substituents in the Allyl Moiety: 1,3-Asymmetric Induction Chemische Berichte, 1990, 123, 917-925 |
| 1100340 | CIF | C13 H21 N2 Na O5 | P 1 21 1 | 7.345; 14.108; 7.785 90; 95.065; 90 | 803.56 | Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF} Chemische Berichte, 1992, 125, 87-92 |
| 1100359 | CIF | C37 H52 Li N3 O2 | P 1 21 1 | 9.216; 17.667; 10.98 90; 107.65; 90 | 1703.6 | Ledig, Burkhard; Marsch, Michael; Harms, Klaus; Boche, Gernot Lithiodiphenylmethylisocyanide-(—)-sparteinebis(tetrahydrofuran): Crystal Structure of a Lithiated Isocyanide Angewandte Chemie, International Edition in English, 1992, 31, 79-80 |
| 1100377 | CIF | C25 H32 O4 Si | P 1 21 1 | 10.555; 7.983; 14.936 90; 109.12; 90 | 1189.09 | Koert, Ulrich; Stein, Matthias; Harms, Klaus A Convergent Synthesis of 2,5-trans-Linked Oligo (tetrahydrofuran)s: Potential Building Blocks for a Polyether Helix with Ion Channel Activity Angewandte Chemie, International Edition in English, 1994, 33, 1180-1182 |
| 1100400 | CIF | C11 H16 Cl N O4 | P 1 21 1 | 11.394; 8.767; 13.998 90; 110.08; 90 | 1313.28 | Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups Liebigs Annalen, 1995, 1995, 317-327 |
| 1100401 | CIF | C27 H35 Br N2 O | P 1 21 1 | 5.429; 8.437; 27.388 90; 94.35; 90 | 1250.88 | Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups Liebigs Annalen, 1995, 1995, 317-327 |
| 1100417 | CIF | C20 H24 N2 O | P 1 21 1 | 9.838; 8.374; 11.279 90; 108.24; 90 | 882.51 | no bibliography |
| 1100439 | CIF | C40 H42 O7 | P 1 21 1 | 8.967; 12.842; 15.1 90; 94.14; 90 | 1734.29 | Reichardt, Christian; Blum, Andreas; Harms, Klaus; Schäfer, Gerhard Pyridinium N-Phenolate Betaine Dyes and Their Application to the Characterization of the Polarity of Solvents, XXII. Syntheses and UV/Vis Spectroscopic Properties of Solvatochromic, Halochromic, and Chiro-Solvatochromic Pyridinium N-Phenolate Betaine Dyes with Four Stereogenic Centers Liebigs Annalen/Recueil, 1997, 1997, 707-720 |
| 1100440 | CIF | C13 H24 Cl N O3 | P 1 21 1 | 7.462; 11.673; 8.775 90; 105.39; 90 | 736.93 | Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes Liebigs Annalen/Recueil, 1997, 1997, 423-434 |
| 1100456 | CIF | C14 H21 N O4 S | P 1 21 1 | 6.397; 7.769; 15.411 90; 100.15; 90 | 753.91 | Harms, K.; Koert, U.; Wagner, H. Crystal structure of (2S,5S,1'S)-5-hydroxymethyl-2-(1'-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C~14~H~21~NO~4~S Zeitschrift für Kristallographie, 1997, 212, 212-212 |
| 1100461 | CIF | C10 H15 N O2 S | P 1 21 1 | 6.82; 6.494; 12.471 90; 97.49; 90 | 547.62 | Bolm, Carsten; Müller, Peter; Harms, Klaus Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes Acta Chemica Scandinavica, 1996, 50, 305-315 |
| 1100498 | CIF | C20 H22 F I2 N | P 1 21 1 | 7.25; 10.093; 15.337 90; 100.21; 90 | 1104.5 | Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Komplexe von Halogenid-Ionen mit 1-Halogen-2-phenylacetylenen. Kristallstrukturen von PPh~4~[X(I‒C≡C‒Ph)~4~] mit X = Cl, Br, I, von PPh~4~[Br(Br‒C≡C‒Ph)~4~] und von NMe~4~[F(I‒C≡C‒Ph)~2~] Chemische Berichte, 1996, 129, 115-120 |
| 1100510 | CIF | C25 H62 Br4 Cl2 Mn4 N4 P4 | P 1 21 1 | 11.0247; 11.045; 18.4469 90; 90.809; 90 | 2246.01 | Riese, Ulrike; Faza, Naim; Massa, Werner; Harms, Klaus; Breyhan, Thees; Knochel, Paul; Ensling, Jürgen; Ksenofontov, Vadim; Gütlich, Philipp; Dehnicke, Kurt Phosphoraneiminato Complexes of Manganese and Cobalt with Heterocubane Structure Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1494-1499 |
| 1100529 | CIF | C19 H21 N O3 | P 1 21 1 | 8.32; 7.893; 12.691 90; 91.07; 90 | 833.27 | Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds Tetrahedron, 1998, 54, 12249-12264 |
| 1100535 | CIF | C19 H23 N O2 | P 1 21 1 | 9.772; 9.876; 10.106 90; 117.06; 90 | 868.55 | Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde Tetrahedron, 1998, 54, 4507-4520 |
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