Crystallography Open Database
Search results
Result: there are 1886 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'I 1 2/a 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000408 | CIF | Al F4 Tl | I 1 2/a 1 | 5.1376; 5.1301; 12.7822 90; 90.119; 90 | 336.9 | Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C, 1987, 20, 2885-2900 |
1000409 | CIF | Al F4 Tl | I 1 2/a 1 | 5.1138; 5.0912; 12.6878 90; 90.289; 90 | 330.3 | Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C, 1987, 20, 2885-2900 |
1000410 | CIF | Al F4 Tl | I 1 2/a 1 | 5.101; 5.0745; 12.6324 90; 90.355; 90 | 327 | Bulou, A; Nouet, J Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement Journal of Physics C, 1987, 20, 2885-2900 |
1001820 | CIF | La0.9125 Mn O3 | I 1 2/a 1 | 7.79; 5.526; 5.479 90; 90.78; 90 | 235.8 | Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. A monoclinic manganite, La~0.9~MnO~3-δ~, with colossal magnetoresistance properties near room temperature Solid State Communications, 1997, 101, 277-281 |
1008736 | CIF | Fe2 O5 P | I 1 2/a 1 | 7.2956; 7.5605; 7.2512 90; 117.368; 90 | 355.2 | Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C. Occurrence of a monoclinic distortion in β-Fe~2~PO~5~ Acta Crystallographica, Section B: Structural Science, 1996, 52, 428-431 |
1010534 | CIF | Cd H5.334 O6.667 S | I 1 2/a 1 | 9.44; 11.87; 16.49 90; 117.27; 90 | 1642.4 | Lipson, H The Crystal Structure of (Cd S O~4~)~3~ (H~2~ O)~8~ Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-), 1936, 156, 462-470 |
1100549 | CIF | C32 H72 N4 P4 Si4 Zn4 | I 1 2/a 1 | 21.53; 9.875; 27.393 90; 107.62; 90 | 5550.76 | Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K. Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1434-1442 |
1100577 | CIF | C37 H95 N3 Na O9 Si7 Sm | I 1 2/a 1 | 22.753; 22.2736; 23.844 90; 94.925; 90 | 12039.3 | Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K. Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren Zeitschrift für anorganische und allgemeine Chemie, 1999, 625, 1301-1309 |
1100578 | CIF | C37 H95 N3 Na O9 Si7 Yb | I 1 2/a 1 | 22.416; 22.2972; 23.7339 90; 95.441; 90 | 11809.1 | Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K. Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren Zeitschrift für anorganische und allgemeine Chemie, 1999, 625, 1301-1309 |
1100603 | CIF | C44 H96 Cd4 N4 P4 Si4 | I 1 2/a 1 | 19.7939; 10.5997; 32.094 90; 107.512; 90 | 6421.5 | Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias Heterocubane Phosphoraniminato Complexes of Cadmium Inorganic Chemistry, 1998, 37, 1099-1104 |
1100611 | CIF | C68 H86 Ce Cl2 Li3 N2 O6 P2 | I 1 2/a 1 | 22.2109; 21.43; 31.644 90; 98.887; 90 | 14881.1 | Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K. Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1187-1192 |
1100612 | CIF | C68 H86 Cl2 Li3 N2 O6 P2 Sm | I 1 2/a 1 | 22.099; 21.4538; 31.526 90; 98.881; 90 | 14767.5 | Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K. Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1187-1192 |
1502459 | CIF | C27 H29 N O3 | I 1 2/a 1 | 27.1086; 5.9741; 29.628 90; 113.48; 90 | 4400.9 | Ward, Amanda F.; Wolfe, John P. Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols. Organic letters, 2011, 13, 4728-4731 |
1503272 | CIF | C22 H31 N O6 Si0 | I 1 2/a 1 | 21.7453; 18.8909; 21.9832 90; 100.632; 90 | 8875.4 | Zhang, Bao; Wee, Andrew G. H. Di- and trisubstituted γ-lactams via Rh(II)-carbenoid reaction of N-Cα-branched, N-bis(trimethylsilyl)methyl α-diazoamides. Synthesis of (±)-α-allokainic acid. Organic letters, 2010, 12, 5386-5389 |
1505409 | CIF | C17 H24 N4 O6 | I 1 2/a 1 | 20.525; 12.332; 32.577 90; 108.199; 90 | 7833 | Snyder, Seth E.; Volkers, Phillip I.; Engebretson, David A.; Lee, Wonjae; Pirkle, William H.; Carey, James R. Strong enantioselective self-recognition of a small chiral molecule. Organic letters, 2007, 9, 2341-2343 |
1505925 | CIF | C29 H23 Cl3 | I 1 2/a 1 | 18.1743; 14.9401; 17.2589 90; 95.7046; 90 | 4663 | Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M. Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction. Organic letters, 2006, 8, 1491-1494 |
1506356 | CIF | C26 H36 Cl2 N2 O6 Pt | I 1 2/a 1 | 23.951; 7.8455; 32.732 90; 110.353; 90 | 5766.6 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
1506572 | CIF | C12 H19 N O4 | I 1 2/a 1 | 10.687; 7.678; 28.81 90; 96.29; 90 | 2349.8 | Giorgi, Giorgio; Miranda, Sonia; López-Alvarado, Pilar; Avendaño, Carmen; Rodriguez, Jean; Menéndez, J Carlos Unique Michael addition-initiated domino reaction for the stereoselective synthesis of functionalized macrolactones from alpha-nitroketones in water. Organic letters, 2005, 7, 2197-2200 |
1507422 | CIF | C6 H12 F6 O8 S4 Sr | I 1 2/a 1 | 8.4221; 11.5766; 18.42 90; 93.263; 90 | 1793 | Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E. Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers The Journal of Physical Chemistry A, 2002, 106, 9612 |
1507858 | CIF | C35 H34 N2 O4 S2 | I 1 2/a 1 | 22.784; 11.0292; 29.49 90; 104.934; 90 | 7160.2 | DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C. An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides. Organic letters, 2012, 14, 3214-3217 |
1508070 | CIF | C96 H55 N3 O14 S2 | I 1 2/a 1 | 28.5423; 22.2297; 28.8082 90; 112.759; 90 | 16855.3 | 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, 2010, 2, 653-660 |
1508141 | CIF | C72 H82 Au2 Cl2 O4 P2 | I 1 2/a 1 | 19.59; 22.495; 20.59 90; 105.26; 90 | 8754 | 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, 2010, 2, 1062-1068 |
1509466 | CIF | Ag Mo5 O33 P8 | I 1 2/a 1 | 23.05; 4.831; 22.935 90; 90.42; 90 | 2553.85 | Goshorn, D.P.; Lii, K.-H.; Johnston, D.C.; Haushalter, R.C. Crystal structure and magnetic properties of a new molybdenophosphate: Ag Mo5 P8 O33 Journal of Solid State Chemistry, 1987, 71, 131-138 |
1510813 | CIF | B2 Rb2 Se7 | I 1 2/a 1 | 12.414; 7.314; 14.092 90; 107.3; 90 | 1221.61 | Krebs, B.; Hammerschmidt, A.; Jansen, C.; Pruss, T.; Kuchinke, J.; Kueper, J.; Koester, C.; Lindemann, A.; Doech, M. Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: new perseleno-selenoborates with polymeric anionic chains Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 419-425 |
1510832 | CIF | B2 Se7 Tl2 | I 1 2/a 1 | 11.878; 7.0909; 13.998 90; 108.37; 90 | 1118.91 | Krebs, B.; Doech, M.; Kueper, J.; Hammerschmidt, A.; Koester, C.; Lindemann, A.; Jansen, C.; Kuchinke, J.; Pruss, T. Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: New perseleno-selenoborates with polymeric anionic chains Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 419-425 |
1510925 | CIF | B3 La O6 | I 1 2/a 1 | 7.956; 8.161; 6.499 90; 93.63; 90 | 421.126 | Hoffmann, W.; Ysker, J.S. Die Kristallstruktur des La B3 O6 Naturwissenschaften, 1970, 57, 129-130 |
1511391 | CIF | B12 Na2 Ni2 O21 | I 1 2/a 1 | 17.0662; 4.48009; 19.4223 90; 102.907; 90 | 1447.47 | Albert, B.; Pompetzki, M. Ein ionenleitendes Natriumnickelborat: Na2 Ni2 B12 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2550-2553 |
1512376 | CIF | C26 H18 O | I 1 2/a 1 | 18.6916; 5.7783; 33.895 90; 102.828; 90 | 3569.5 | Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans. Organic letters, 2013, 15, 5032-5035 |
1512754 | CIF | C42 H36 Fe O3 P2 S2 | I 1 2/a 1 | 18.889; 9.8572; 21.208 90; 112.074; 90 | 3659.3 | Ana-Maria Valean; Santiago Gomez-Ruiz; Alexandru Lupan; Radu Silaghi-Dumitrescu; Luminita Silaghi-Dumitrescu; Evamarie Hey-Hawkins Phosphinoarylthiolato molybdenum and iron complexes [M{(SC6H4-2-PPh2)-k2S,P}2(CO)2] (M = Mo, Fe): Analogous composition - Different structure Inorganica Chimica Acta, 2013, 394, 289-294 |
1512851 | CIF | C22 H21 N2 O2 P | I 1 2/a 1 | 24.584; 9.2487; 36.028 90; 98.297; 90 | 8105.9 | Milica Milenkovic; Alessia Bacchi; Giulia Cantoni; Sinisa Radulovic; Nevenka Gligorijevic; Sandra Arandelovic; Dusan Sladic; Miroslava Vujcic; Dragana Mitic; Katarina Andelkovic Synthesis, characterisation and biological activity of Co(III) complex with the condensation product of 2-(diphenylphosphino)benzaldehyde and ethyl carbazate Inorganica Chimica Acta, 2013, 395, 33-43 |
1514149 | CIF | C30.5 H27 Co F6 N6 O6 S2 | I 1 2/a 1 | 24.9411; 11.4329; 26.1884 90; 116.585; 90 | 6678.1 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
1514386 | CIF | C28.5 H18 B Cl3 F2 N4 | I 1 2/a 1 | 14.0731; 11.5359; 31.2056 90; 93.7226; 90 | 5055.41 | Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science, 2013, 4, 612 |
1514981 | CIF | C47 H60 Co O9.75 Pt S4 | I 1 2/a 1 | 22.814; 16.6711; 23.2989 90; 92.135; 90 | 8855.2 | Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H. Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions Chemical Science, 2012, 3, 602 |
1515260 | CIF | C104 H118 N22 O20 | I 1 2/a 1 | 23.1428; 17.9913; 27.126 90; 97.895; 90 | 11187.4 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
1515464 | CIF | C42 H28 | I 1 2/a 1 | 16.7865; 9.2933; 36.414 90; 91.02; 90 | 5679.8 | Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity Chemical Science, 2011, 2, 672 |
1515993 | CIF | C29 H20 O | I 1 2/a 1 | 24.2504; 8.1885; 21.5299 90; 110.491; 90 | 4004.78 | Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N. Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones. The journal of physical chemistry. A, 2014, 118, 3479-3489 |
1516731 | CIF | C23 H15 Cr O5 P | I 1 2/a 1 | 11.247; 15.014; 25.636 90; 102.346; 90 | 4228.8 | Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal. The journal of physical chemistry. A, 2006, 110, 9736-9742 |
1518310 | CIF | C12 H28 Ba3 O26 | I 1 2/a 1 | 13.4109; 16.2568; 27.9028 90; 98.984; 90 | 6008.7 | Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca The many roles of mellitic acid during barium sulfate crystallization. Faraday discussions, 2015, 179, 343-357 |
1518313 | CIF | C72 H68 F24 N26 O2 P4 Ru2 | I 1 2/a 1 | 24.007; 14.6606; 26.57 90; 92.563; 90 | 9342.1 | Kumar, Sreedhar V.; Lo, Warrick K.C.; Brooks, Heather J.L.; Crowley, James D. Synthesis, structure, stability and antimicrobial activity of a ruthenium(II) helicate derived from a bis-bidentate "click" pyridyl-1,2,3-triazole ligand Inorganica Chimica Acta, 2015, 425, 1-6 |
1518507 | CIF | C27 H34 Cl2 N2 Se | I 1 2/a 1 | 17.366; 9.4565; 21.295 90; 109.08; 90 | 3305 | Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes? Chem. Sci., 2015, 6, 1895 |
1518703 | CIF | C144 H96 Cl4 F N14 O8 | I 1 2/a 1 | 19.9315; 23.719; 20.402 90; 116.015; 90 | 8667.9 | Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L. Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion. Organic letters, 2014, 16, 6128 |
1518970 | CIF | C143.5 H198 F24 N14 O5.5 P4 Ru2 | I 1 2/a 1 | 19.8215; 44.837; 19.874 90; 106.727; 90 | 16915.4 | Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S. Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular "Fingerhakel". Dalton transactions (Cambridge, England : 2003), 2015, 44, 8889-8905 |
1519074 | CIF | C18 H6 Cl4 N4 | I 1 2/a 1 | 13.692; 7.7183; 16.391 90; 99.47; 90 | 1708.6 | Andresen, Thomas L.; Krebs, Frederik C.; Larsen, Mogens; Thorup, Niels Crystal Structure of Three Compounds Related to Triphenylene and Tetracyanoquinodimethane Acta Chemica Scandinavica, 1999, 53, 410-416 |
1519127 | CIF | C58 H38 F48 Gd4 O27 | I 1 2/a 1 | 26.129; 12.714; 28.369 90; 116.96; 90 | 8400 | Underhill, Allan E.; Hursthouse, Michael B.; Malik, K.M. Abdul C40H18F48Gd4O26, 3(C6H6), H2O Crystal Structure Report Archive, 1993, 1185 |
1519380 | CIF | C10 H12 Ag N3 O4 | I 1 2/a 1 | 5.7265; 14.7681; 14.6482 90; 96.59; 90 | 1230.61 | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté Counterion influence on the N‒I‒N halogen bond Chem. Sci., 2015, 6, 3746 |
1520715 | CIF | C28 H28 N2 O4 S4 | I 1 2/a 1 | 15.181; 15.559; 23.696 90; 105.016; 90 | 5406 | Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach Chem. Sci., 2015, 6, 5491 |
1520794 | CIF | Al5.84 Ca2.89 H32.64 O48.32 Si10.16 | I 1 2/a 1 | 9.8799; 10.2801; 9.8764 90; 90.113; 90 | 1003.11 | Artioli, G.; Marchi, M. On the space group of garronite Powder Diffraction, 1999, 14, 190-194 |
1521120 | CIF | C2 H17 N6 O20 P5 Zn4 | I 1 2/a 1 | 23.77; 5.1036; 18.1 90; 94.491; 90 | 2189.02 | Harrison, W.T.A.; Phillips, M.L.F.; Teat, S.J.; Clegg, W. (C N3 H6)2 . Zn4 H5 (P O4)5, a new layered guanidinium zinc phosphate built up from 3-, 4-, and 8-ring units Journal of Solid State Chemistry, 1999, 148, 433-437 |
1521948 | CIF | Al0.465 La0.9 O2.9 Ti0.465 | I 1 2/a 1 | 7.6855; 5.4347; 5.4243 90; 90.221; 90 | 226.563 | Slater, P.R.; Irvine, J.T.S. Synthesis and structure of a new perovskite phase in the La Ti - Al - O system Journal of Solid State Chemistry, 1999, 146, 437-438 |
1524106 | CIF | B4 Ca2 Cl H21 O18 | I 1 2/a 1 | 22.783; 8.745; 16.066 90; 96.705; 90 | 3179.05 | Brown, G.E.; Clark, J.R. Crystal structure of hydrochlorborite, Ca2 ( B3 O3 (O H)4 O B (O H)3 ) Cl (H2 O)7, a seasonal evaporite mineral American Mineralogist, 1978, 63, 814-823 |
1526832 | CIF | Eu0.6 Nb O3.4 | I 1 2/a 1 | 5.1162; 11.1352; 5.3946 90; 94.616; 90 | 306.333 | Toda, K.; Honda, M.; Ishimoto, Y.; Ye, Z.-G.; Sato, M. Oxygen defect in non-stoichiometric europium orthoniobate, Eux Nb O4-1.5(1-x) Solid State Ionics, 2000, 136, 25-30 |
1526833 | CIF | Eu0.5 Nb O3.25 | I 1 2/a 1 | 5.1162; 11.1347; 5.3965 90; 94.603; 90 | 306.433 | Toda, K.; Honda, M.; Ishimoto, Y.; Sato, M.; Ye, Z.-G. Oxygen defect in non-stoichiometric europium orthoniobate, Eux Nb O4-1.5(1-x) Solid State Ionics, 2000, 136, 25-30 |
1526835 | CIF | Eu0.45 Nb O3.175 | I 1 2/a 1 | 5.1178; 11.1384; 5.398 90; 94.614; 90 | 306.711 | Toda, K.; Sato, M.; Honda, M.; Ishimoto, Y.; Ye, Z.-G. Oxygen defect in non-stoichiometric europium orthoniobate, Eux Nb O4-1.5(1-x) Solid State Ionics, 2000, 136, 25-30 |
1528597 | CIF | Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 | I 1 2/a 1 | 7.8106; 5.585; 5.5097 90; 90.37; 90 | 240.34 | Ivanov, S.A.; Kaleva, G.M.; Eriksson, S.; Aleksandrovskii, V.V.; Politova, E.D. Specific features of the structure and weight loss of aliovalent-substituted oxides based on lanthanum gallate (La, Sr) (Ga, Fe, Mg) O(3-y) Kristallografiya, 2006, 51, 241-247 |
1528665 | CIF | Cl6 H10 O5 Pb2 Sr | I 1 2/a 1 | 9.071; 11.813; 13.659 90; 101.41; 90 | 1434.71 | Abraham, I.; Benoit, D.M.; Demetriou, D.Z.; Mustarde, K.; Vordemvenne, E. Lone pair effects in trihalo-stannate and -plumbate anions in the crystal structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X = Br) Polyhedron, 2006, 25, 996-1002 |
1528779 | CIF | Ce0.21 La0.79 Nb O3.872 | I 1 2/a 1 | 5.1947; 11.50069; 5.56301 90; 94.222; 90 | 331.447 | Packer, R.J.; Stuart, P.A.; Skinner, S.J. Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies Journal of Solid State Chemistry, 2008, 181, 1445-1455 |
1528781 | CIF | Ce0.77 La0.23 Nb O3.82 | I 1 2/a 1 | 5.5403; 11.4354; 5.1744 90; 94.396; 90 | 326.863 | Packer, R.J.; Skinner, S.J.; Stuart, P.A. Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies Journal of Solid State Chemistry, 2008, 181, 1445-1455 |
1529350 | CIF | C16 H10 Br F3 N2 O2 S | I 1 2/a 1 | 11.4371; 13.3473; 22.4306 90; 101.301; 90 | 3357.74 | Lee, Eunsook; Ryu, Taekyu; Shin, Eunji; Son, Jeong-Yu; Choi, Wonseok; Lee, Phil Ho Synthesis of 2-bromoimidazoles from alkynes, N-sulfonylazides, and bromocyanides. Organic letters, 2015, 17, 2470-2473 |
1531238 | CIF | Mn O3 Pr0.6 Sr0.4 | I 1 2/a 1 | 7.7758; 5.3981; 5.3975 90; 90; 90 | 226.558 | Boujelben, W.; Ellouze, M.; Cheikhrouhou, A.; Pierre, J.; Cai, Q.; Yelon, W.B.; Shimizu, K.; Dubourdieu, C. Neutron diffraction, NMR and magneto-transport properties in the Pr0.6 Sr0.4 Mn O3 perovskite manganite Journal of Alloys Compd., 2002, 334, 1-8 |
1531438 | CIF | F4 Li Y | I 1 2/a 1 | 5.0416; 10.4174; 4.7808 90; 95.279; 90 | 250.024 | Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Gesland, J.Y. Scheelite to fergusonite phase transition in Y Li F4 at high pressures Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2002, 65, 104102-1-104102-6 |
1531601 | CIF | F6 H12 N2 O4 Si | I 1 2/a 1 | 10.772; 7.336; 10.447 90; 102.09; 90 | 807.246 | Kristl, M.; Drofenik, M.; Golic, L. Synthesis and structure of hydroxylammonium fluorosilicates Acta Chimica Slovenica, 2002, 49, 243-250 |
1532125 | CIF | O3 V2 | I 1 2/a 1 | 7.2727; 5.0027; 5.5432 90; 96.762; 90 | 200.276 | Rozier, P.; Ratuszna, A.; Galy, J. Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1236-1242 |
1532185 | CIF | Ga0.87 La0.95 Mg0.13 O2.74 Sr0.05 | I 1 2/a 1 | 7.8227; 5.5555; 5.5208 90; 90.035; 90 | 239.928 | Vasylechko, L.; Knapp, M.; Savytskii, D.; Vashook, V.; Matkovskii, A.; Niewa, R.; Ullmann, H.; Senyshin, A.; Berkowski, M.; Bismayer, U. Crystal structure, thermal expansion and conductivity of anisotropic La1-x Srx Ga1-2x Mg2x O3-y (x = 0.05, 0.1) single crystals Journal of Solid State Chemistry, 2003, 172, 396-411 |
1533306 | CIF | Al Ba2 D7 | I 1 2/a 1 | 13.197; 10.237; 8.509 90; 101.29; 90 | 1127.3 | Zhang, Q.-A.; Akiba, E.; Nakamura, Y.; Kamiyama, T.; Oikawa, K. Hydrogen-induced phase decomposition of Ba7 Al13 and the crystal structure of Ba2 Al H7 Journal of Alloys Compd., 2003, 361, 180-186 |
1533441 | CIF | Al2 Ca0.959 H3.64 O13.82 Si4 | I 1 2/a 1 | 13.666; 13.623; 13.531 90; 90.5; 90 | 2519 | Seryotkin, Y.V.; Belitsky, I.A.; Joswig, W.; Bakakin, V.V.; Fursenko, B.A. High-temperature crystal structure of wairakite European Journal of Mineralogy (1,1989-), 2003, 15, 475-484 |
1533584 | CIF | O3 V2 | I 1 2/a 1 | 7.2741; 5.0053; 5.5514 90; 96.779; 90 | 200.708 | Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Gibaud, A.; Lacorre, P. Effect of doping and temperature on the crystal structure of (V1-x Mox)2 O3 above and below the metal/insulator transition Journal of Solid State Chemistry, 2003, 174, 431-440 |
1533587 | CIF | Mo0.06 O3 V1.94 | I 1 2/a 1 | 7.2868; 4.9974; 5.559 90; 96.926; 90 | 200.954 | Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Gibaud, A.; Lacorre, P. Effect of doping and temperature on the crystal structure of (V1-x Mox)2 O3 above and below the metal/insulator transition Journal of Solid State Chemistry, 2003, 174, 431-440 |
1533590 | CIF | Mo0.1 O3 V1.9 | I 1 2/a 1 | 7.3039; 4.9875; 5.5646 90; 97.141; 90 | 201.136 | Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Gibaud, A.; Lacorre, P. Effect of doping and temperature on the crystal structure of (V1-x Mox)2 O3 above and below the metal/insulator transition Journal of Solid State Chemistry, 2003, 174, 431-440 |
1533633 | CIF | Co La O3 | I 1 2/a 1 | 5.3611; 5.4316; 7.6318 90; 91.056; 90 | 222.195 | Haas, O.; Struis, R.P.W.J.; McBreen, J.M. Synchrotron X-ray absorption of La Co O3 perovskite Journal of Solid State Chemistry, 2004, 177, 1000-1010 |
1534521 | CIF | I4 La Sr | I 1 2/a 1 | 7.4231; 14.852; 8.623 90; 101.073; 90 | 932.969 | Gerlitzki, N.; Meyer, G. Action of alkaline earth metals on lanthanum triiodide: unusually short La-La distances in Sr La I4 and Ba La I4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 915-916 |
1534525 | CIF | Ba I4 La | I 1 2/a 1 | 7.4142; 15.04; 8.9681 90; 102.28; 90 | 977.148 | Gerlitzki, N.; Meyer, G. Action of alkaline earth metals on lanthanum triiodide: unusually short La-La distances in Sr La I4 and Ba La I4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 915-916 |
1534528 | CIF | Ce I4 Nd | I 1 2/a 1 | 7.3552; 14.776; 8.638 90; 101.36; 90 | 920.39 | Gerlitzki, N.; Hammerich, S.; Meyer, G. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1534532 | CIF | I4 La Nd | I 1 2/a 1 | 7.4031; 14.804; 8.6583 90; 101.5; 90 | 929.861 | Gerlitzki, N.; Hammerich, S.; Meyer, G. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1534535 | CIF | Ce I4 Sm | I 1 2/a 1 | 7.3625; 14.728; 8.5606 90; 101.126; 90 | 910.821 | Gerlitzki, N.; Hammerich, S.; Meyer, G. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1534537 | CIF | I4 La Sm | I 1 2/a 1 | 7.4226; 14.786; 8.5969 90; 101.012; 90 | 926.142 | Gerlitzki, N.; Hammerich, S.; Meyer, G. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1534541 | CIF | Ce I4 Sr | I 1 2/a 1 | 7.3581; 14.783; 8.602 90; 101.25; 90 | 917.702 | Gerlitzki, N.; Hammerich, S.; Meyer, G. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1534545 | CIF | Ba Ce I4 | I 1 2/a 1 | 7.352; 14.98; 8.936 90; 102.381; 90 | 961.26 | Gerlitzki, N.; Hammerich, S.; Meyer, G. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1534549 | CIF | Eu I4 La | I 1 2/a 1 | 7.394; 14.791; 8.548 90; 101.15; 90 | 917.203 | Gerlitzki, N.; Meyer, G.; Hammerich, S. New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2431-2433 |
1536037 | CIF | Cs2 H4 La N5 O17 | I 1 2/a 1 | 10.868; 9.063; 17.557 90; 103.2; 90 | 1683.62 | Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G. Preparation and crystal structure of cesium-lanthanum nitrate Cs2: La (N O3)5 (H2 O)2: Kristallografiya, 1990, 35, 1395-1398 |
1536635 | CIF | B10 Br10 Cs2 H3.66 O1.83 | I 1 2/a 1 | 13.6154; 12.1589; 31.084 90; 97.916; 90 | 5096.87 | Einholz, W.; Vaas, K.; Wieloch, C.; Wizemann, T.; Speiser, B.; Meyer, H.J.; Stroebele, M. Chemische und cyclovoltammetrische Untersuchung der Redoxreaktionen der Decahalogendecaborate closo-(B10 X10)(2-) und hypercloso-(B10 X10)(-) (X = Cl, Br). Kristallstrukturanalyse von Cs2 (B10 Br10) * 2(H2 O) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 258-268 |
1536967 | CIF | H17 I3 O22 Pr2 | I 1 2/a 1 | 13.05; 21.6506; 12.9512 90; 93.275; 90 | 3653.26 | Fischer, A. Synthesis and structure of Ln2 (H4 I O6) (I2 O10) * (H3 O) * 5(H2 O) (Ln= Pr, Nd, Sm), a lanthanide periodate diperiodate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 335-338 |
1536970 | CIF | H17 I3 Nd2 O22 | I 1 2/a 1 | 13.022; 21.6112; 12.9223 90; 93.5309; 90 | 3629.7 | Fischer, A. Synthesis and structure of Ln2 (H4 I O6) (I2 O10) * (H3 O) * 5(H2 O) (Ln = Pr, Nd, Sm), a lanthanide periodate diperiodate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 335-338 |
1536973 | CIF | H17 I3 O22 Sm2 | I 1 2/a 1 | 12.9488; 21.4665; 12.8573 90; 93.5238; 90 | 3567.13 | Fischer, A. Synthesis and structure of Ln2 (H4 I O6) (I2 O10) * (H3 O) * 5(H2 O) (Ln = Pr, Nd, Sm), a lanthanide periodate diperiodate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 335-338 |
1541224 | CIF | F6 Ga H15 N4 O2 | I 1 2/a 1 | 10.475; 6.462; 13.08 90; 105.57; 90 | 852.888 | Meden, A.; Golic, L.; Siftar, J. Structure of dihydrazinium hexafluorogallate dihydrate Documenta Chemica Yugoslavica. Vestnik Slovenskega Kemijskega Drustva, 1992, 39, 319-324 |
1542007 | CIF | O5 Si Y2 | I 1 2/a 1 | 10.41; 6.721; 12.49 90; 102.65; 90 | 852.658 | Maksimov, B.A.; Ilyukhin, V.V.; Kharitonov, Yu.A.; Belov, N.V. Crystal structure of yttrium oxyorthosilicate Y2 O3 Si O2 and Y2 Si O5. Dual function of yttrium Kristallografiya, 1970, 15, 926-933 |
1542693 | CIF | C26 H20 F3 N O | I 1 2/a 1 | 18.3718; 5.6809; 40.089 90; 100.975; 90 | 4107.5 | Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines. Organic letters, 2016, 18, 600-603 |
1542848 | CIF Paper | C12 H8 Cl5 N O | I 1 2/a 1 | 22.638; 7.2553; 18.013 90; 90.767; 90 | 2958.3 | Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ, 2014, 1, 228-239 |
1543020 | CIF | C41 H43 Fe4 N2 O12 P | I 1 2/a 1 | 25.63; 10.6233; 31.622 90; 95.408; 90 | 8571.6 | Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci., 2016, 7, 2728 |
1543075 | CIF | C27 H29 B F4 N2 O2 | I 1 2/a 1 | 10.025; 19.7722; 12.5456 90; 95.411; 90 | 2475.7 | Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J. Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range Chem. Sci., 2016, 7, 4685 |
1543442 | CIF | C69 H89 Fe3 N8 | I 1 2/a 1 | 25.7232; 12.6083; 38.521 90; 92.547; 90 | 12481 | MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L. Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia Chem. Sci., 2016, 7, 5736 |
1543443 | CIF | C71 H95 Fe3 N8 | I 1 2/a 1 | 26.1506; 12.4838; 39.818 90; 90.725; 90 | 12997.9 | MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L. Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia Chem. Sci., 2016, 7, 5736 |
1543495 | CIF | C9 H20 Li P | I 1 2/a 1 | 12.74672; 15.92732; 10.89957 90; 90.0415; 90 | 2212.84 | Samigullin, Kamil; Bodach, Alexander; Wagner, Matthias; Alig, Edith; Fink, Lothar; Lerner, Hans-Wolfram Donor-unsupported Phosphanylmethanides Li[CH2PR2] (R = tBu, Ph) – Crystal Structure of Li[CH2PtBu2] Solved by XRPD and DFT-D Calculations Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 282-287 |
1543981 | CIF HKL Paper | C23 H46 K N3 O6 Si2 | I 1 2/a 1 | 20.3301; 17.4558; 20.5691 90; 119.399; 90 | 6359.5 | Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L. (18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I) IUCrData, 2016, 1, x161338 |
1544160 | CIF | C37 H42 F4 I N5 O | I 1 2/a 1 | 20.258; 13.9884; 26.734 90; 103.187; 90 | 7376 | Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas pH controlled assembly of a self-complementary halogen-bonded dimer Chem. Sci., 2017, 8, 938 |
1544184 | CIF | C110 H176 N6 P6 Ti2 | I 1 2/a 1 | 18.5929; 12.9042; 22.7421 90; 98.499; 90 | 5396.5 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
1544292 | CIF HKL Paper | C28 H23 N9 O4 | I 1 2/a 1 | 12.35; 4.8107; 42.812 90; 97.569; 90 | 2521.4 | Janzen, Daron E.; Lange, Kayla A.; Wollack, James W. Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate] IUCrData, 2016, 1, x161570 |
1544298 | CIF | C38 H26 N2 S | I 1 2/a 1 | 17.9549; 5.7818; 55.027 90; 91.498; 90 | 5710.5 | Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh Multi-Stimuli Responsive Donor‒Acceptor Tetraphenylethylene Substituted Benzothiadiazoles The Journal of Physical Chemistry C, 2016, 120, 24030 |
1544807 | CIF | C35.38 H33.75 B2 Cl0.75 F18 N3 | I 1 2/a 1 | 25.1883; 12.192; 26.4276 90; 98.253; 90 | 8031.8 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
1544865 | CIF | Dy0.08 Nb0.45 O4 Ta0.57 Y0.75 | I 1 2/a 1 | 5.3182; 10.9583; 5.0595 90; 94.993; 90 | 293.74 | Nishio-Hamane, D.; Minakawa, T.; Ohgoshi, Y. Takanawaite-(Y), a new mineral of the M-type polymorph with Y(Ta,Nb)O4 from Takanawa Mountain, Ehime Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2013, 108, 335-344 |
1544907 | CIF | Al2.5 Ca0.7 K0.17 Mn7.5 Na0.06 O32 Si9.8 | I 1 2/a 1 | 5.534; 13.565; 25.09 90; 93.96; 90 | 1878.98 | Kato, T. The crystal structure of ganophyllite; monoclinic subcell Mineralogical Journal, 1980, 10, 1-13 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!