Crystallography Open Database
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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 |
1544960 | CIF | C72 H79 O9 | I 1 2/a 1 | 30.303; 14.1499; 30.774 90; 115.729; 90 | 11887.2 | Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene. Organic letters, 2016 |
1545478 | CIF | C23 H33 Cl2 N O3 S | I 1 2/a 1 | 26.9274; 5.87596; 29.0682 90; 90.0555; 90 | 4599.29 | Saint-Dizier, François; Simpkins, Nigel S. First total synthesis of concavine Chem. Sci., 2017, 8, 3384 |
1545776 | CIF | C64 H82 | I 1 2/a 1 | 16.3409; 9.0662; 35.1804 90; 101.985; 90 | 5098.4 | Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires The Journal of Physical Chemistry C, 2017, 121, 9202 |
1545995 | CIF | C24 H17 N3 O7 S | I 1 2/a 1 | 13.7214; 9.2266; 34.566 90; 91.593; 90 | 4374.4 | Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T. Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides. Organic letters, 2017, 19, 2466-2469 |
1546035 | CIF | Ca O4 W | I 1 2/a 1 | 5.069; 10.851; 5.081 90; 90.091; 90 | 279.47 | Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171 |
1546037 | CIF | O4 Sr W | I 1 2/a 1 | 5.263; 11.182; 5.231 90; 90.35; 90 | 307.84 | Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G. Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171 |
1546187 | CIF | C20 H26 F16 I2 N2 O4 | I 1 2/a 1 | 31.169; 5.462; 19.627 90; 102.81; 90 | 3258.2 | Zavala, Jose; Greenan, Rebecca; Krantz, Q. Todd; DeMarini, David M.; Higuchi, Mark; Gilmour, M. Ian; White, Paul A. Regulating temperature and relative humidity in air‒liquid interface in vitro systems eliminates cytotoxicity resulting from control air exposures Toxicol. Res., 2017 |
1546254 | CIF | C42 H34 Cl10 F2 N O P Pt | I 1 2/a 1 | 23.6952; 14.2502; 27.6824 90; 103.199; 90 | 9100.3 | Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci., 2017 |
1546255 | CIF | C40.4 H33.2 Cl4.2 F2 N P Pt | I 1 2/a 1 | 14.61871; 17.9381; 28.6293 90; 98.6391; 90 | 7422.34 | Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci., 2017 |
1546587 | CIF HKL Paper | C12 H13 Cl N2 O2 | I 1 2/a 1 | 14.6454; 12.0415; 15.1149 90; 115.621; 90 | 2403.5 | El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione IUCrData, 2017, 2, x171052 |
1546674 | CIF HKL Paper | C22 H17 Cl N2 O2 | I 1 2/a 1 | 29.2234; 8.3076; 31.0407 90; 101.859; 90 | 7375.1 | El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione IUCrData, 2017, 2, x170901 |
1546707 | CIF HKL | C23 H21 N2 O0.5 | I 1 2/a 1 | 22.1001; 6.7624; 24.5714 90; 104.835; 90 | 3549.8 | Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam (<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate IUCrData, 2017, 2, x171070 |
1547574 | CIF | C16 H21 Br | I 1 2/a 1 | 19.772; 6.1368; 23.6786 90; 94.152; 90 | 2865.5 | Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids. Organic letters, 2017, 19, 4766-4769 |
1547648 | CIF | C8 H11 B O3 | I 1 2/a 1 | 19.815; 5.02009; 18.2337 90; 111.493; 90 | 1687.64 | Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications Chem. Sci., 2017 |
1548088 | CIF | C66 H150 Cs2 N10 Si6 U2 | I 1 2/a 1 | 22.76348; 17.0958; 22.50605 90; 100.782; 90 | 8603.83 | David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773 |
1548117 | CIF | C16 H12 Br2 Cd N4 O2 | I 1 2/a 1 | 18.259; 3.867; 24.2737 90; 95.491; 90 | 1706.04 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
1548118 | CIF | C16 H12 Cd I2 N4 O2 | I 1 2/a 1 | 19.7099; 6.8535; 13.631 90; 98.052; 90 | 1823.15 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
1548716 | CIF | C18 H18 O | I 1 2/a 1 | 18.2502; 5.8703; 25.807 90; 100.988; 90 | 2714.1 | Michael W. Giuliano; Chung-Yon Lin; David K. Romney; Scott J. Miller; Eric V. Anslyn A Synergistic Combinatorial and Chiroptical Study of Peptide Catalysts for Asymmetric Baeyer-Villiger Oxidation Advanced Synthesis & Catalysis, 2015, 357, 2301-2309 |
1548758 | CIF | C46.5 H56 F4 N3 Zn | I 1 2/a 1 | 15.6052; 24.2499; 23.5838 90; 102.23; 90 | 8722.1 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
1548760 | CIF | C65 H99 Al Mg N4 | I 1 2/a 1 | 21.9257; 15.7003; 37.0659 90; 97.8995; 90 | 12638.5 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
1548798 | CIF HKL | C22 H29 Br N4 Se2 | I 1 2/a 1 | 23.767; 5.1425; 39.806 90; 102.61; 90 | 4747.8 | Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J. 3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone) IUCrData, 2017, 2, x171746 |
1548889 | CIF HKL Paper | C6 Cl3 N9 | I 1 2/a 1 | 22.2914; 14.1339; 23.1869 90; 115.732; 90 | 6580.9 | Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter 2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine IUCrData, 2018, 3, x180212 |
1549045 | CIF | C40 H66 Cl2 N10 O16 | I 1 2/a 1 | 15.1489; 13.2904; 24.594 90; 97.293; 90 | 4911.6 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
1549094 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.7604; 5.9132; 49.45 90; 95.879; 90 | 2257.3 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549095 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.856; 5.8413; 49.561 90; 95.46; 90 | 2264 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549096 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.0891; 5.7282; 49.849 90; 94.255; 90 | 2303.4 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549097 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.9306; 5.8288; 49.645 90; 95.171; 90 | 2285.5 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549098 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.9631; 5.8073; 49.723 90; 94.85; 90 | 2291.2 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549099 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.3546; 5.6236; 50.168 90; 93.146; 90 | 2353.5 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549100 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.0248; 5.7688; 49.827 90; 94.591; 90 | 2299.3 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549101 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.446; 5.58942; 50.2534 90; 92.829; 90 | 2369.48 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549102 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.8186; 5.8811; 49.458 90; 95.762; 90 | 2262.7 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549103 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.1615; 5.6918; 49.87 90; 93.819; 90 | 2311.5 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549104 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.2606; 5.6541; 49.944 90; 93.621; 90 | 2328 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
1549397 | CIF | C24 H36 N2 S Si | I 1 2/a 1 | 24.712; 8.4842; 24.907 90; 101.616; 90 | 5115 | Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M. The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides Polymer Chemistry, 2018, 9, 2759 |
1549884 | CIF | C65 H63 N11 O13 | I 1 2/a 1 | 35.5103; 9.6091; 37.3391 90; 103.589; 90 | 12384.3 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
1549940 | CIF | C15 H11 F O2 | I 1 2/a 1 | 13.2572; 5.1221; 16.7741 90; 97.5575; 90 | 1129.15 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
1550059 | CIF | C38 H62 Mg N4 O2 | I 1 2/a 1 | 17.113; 15.0517; 29.9562 90; 90.872; 90 | 7715.22 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
1550063 | CIF | C38 H62 N4 O2 Zn | I 1 2/a 1 | 17.0865; 15.0333; 30.0246 90; 91.193; 90 | 7710.6 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
1550226 | CIF | C28 H46 Cl2 In K N2 O Si2 | I 1 2/a 1 | 18.8952; 13.1861; 27.8641 90; 100.042; 90 | 6836.1 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
1550227 | CIF | C31 H49 Cl2 In K N2 O Si2 | I 1 2/a 1 | 18.7078; 13.15883; 30.1739 90; 101.73; 90 | 7272.86 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
1550229 | CIF | C59 H99 In2 K2 N4 O2 Si4 | I 1 2/a 1 | 23.2852; 17.27697; 36.472 90; 108.506; 90 | 13913.9 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
1550255 | CIF | C14 H21 B N2 O2 | I 1 2/a 1 | 22.1499; 7.8915; 17.5288 90; 111.175; 90 | 2857.09 | Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters. Chemical Science, 2019 |
1550934 | CIF | C32 H48 Cl2 Ir2 N4 O4 Si4 | I 1 2/a 1 | 17.8492; 10.6328; 43.5137 90; 96.227; 90 | 8209.6 | Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2 Catalysis Science & Technology, 2019 |
1551241 | CIF | C26 H20 B2 F8 Fe N8 | I 1 2/a 1 | 16.375; 12.327; 17.399 90; 102.25; 90 | 3432.1 | Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution New Journal of Chemistry, 2019, 43, 9776 |
1551589 | CIF | C28 H26 Cl N6 O3.5 Ru | I 1 2/a 1 | 15.4085; 13.0737; 27.383 90; 98.0922; 90 | 5461.27 | TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride X-ray Structure Analysis Online, 2017, 33, 11 |
1552107 | CIF | C45 H31 Cl N4 Zn | I 1 2/a 1 | 18.7682; 13.7292; 31.4518 90; 106.951; 90 | 7752.2 | Ge, Yuansheng; Cheng, Guoe; Xu, Nanfeng; Wang, Weizhou; Ke, Hanzhong Zinc 2-N-Methyl N-confused porphyrin: An Efficient Catalyst for the Conversion of CO2 into Cyclic Carbonates Catalysis Science & Technology, 2019 |
1552189 | CIF | C52 H144 N8 Si12 U2 | I 1 2/a 1 | 27.5312; 21.7757; 43.5129 90; 107.785; 90 | 24839.8 | Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands Chemical Science, 2019 |
1552250 | CIF | C30 H24 Cl N O2 | I 1 2/a 1 | 18.3331; 14.0402; 20.1069 90; 107.894; 90 | 4925.17 | Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides Chemical Science, 2019 |
1552296 | CIF | C26 H22 N2 O2 | I 1 2/a 1 | 19.7244; 12.392; 35.75 90; 99.796; 90 | 8610.8 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
1552485 | CIF | C20 H23 N3 O3 | I 1 2/a 1 | 14.0408; 15.4293; 16.5882 90; 93.136; 90 | 3588.3 | Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads. Journal of agricultural and food chemistry, 2019, 67, 11901-11910 |
1552742 | CIF | C50 H28 | I 1 2/a 1 | 18.9506; 5.3187; 33.0475 90; 91.961; 90 | 3328.99 | Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L. Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives. The journal of physical chemistry. A, 2019, 123, 7558 |
1552749 | CIF | C24 H26 Br Co N3 O7 S | I 1 2/a 1 | 15.5234; 19.2687; 19.1761 90; 112.933; 90 | 5282.5 | Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103 |
1552855 | CIF | C24 H32 N2 O3 S Si | I 1 2/a 1 | 14.4384; 16.0496; 20.713 90; 96.573; 90 | 4768.29 | Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395 |
1552856 | CIF | C38 H36 N4 O12 Rh2 S2 | I 1 2/a 1 | 17.4067; 10.6112; 22.164 90; 98.333; 90 | 4050.6 | Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395 |
1552921 | CIF HKL Paper | C8 H7 N2 O2.5 S | I 1 2/a 1 | 16.3881; 4.6912; 22.4928 90; 97.512; 90 | 1714.4 | Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich 5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate IUCrData, 2019, 4, x191532 |
1553230 | CIF | C20 H15 N3 O3 | I 1 2/a 1 | 13.6461; 10.723; 22.268 90; 90.915; 90 | 3258 | Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G. Palladium-catalyzed arylation of β-methylene C(sp3)‒H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids Organic Chemistry Frontiers, 2016, 3, 561 |
1553332 | CIF | C H O | I 1 2/a 1 | 27.9933; 9.57267; 22.8556 90; 118.274; 90 | 5393.91 | Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel. Journal of natural products, 2018, 81, 1376-1383 |
1553465 | CIF | C16 H16 B N3 O2 | I 1 2/a 1 | 25.856; 5.37038; 21.5154 90; 101.646; 90 | 2926.05 | Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S. “Click-fluors”: triazole-linked saccharide sensors Organic Chemistry Frontiers, 2016, 3, 918 |
1553709 | CIF | C60 H24 F12 O12 | I 1 2/a 1 | 12.2591; 38.9347; 18.0305 90; 93.869; 90 | 8586.4 | Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu Sterically crowded hydrogen-bonded hexagonal network frameworks Materials Chemistry Frontiers, 2018, 2, 338 |
1553710 | CIF | C80 H68 O14 | I 1 2/a 1 | 27.8455; 22.4501; 29.8331 90; 95.3352; 90 | 18568.9 | Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu Sterically crowded hydrogen-bonded hexagonal network frameworks Materials Chemistry Frontiers, 2018, 2, 338 |
1553825 | CIF | C18 H22 O5 | I 1 2/a 1 | 9.6871; 14.029; 23.8866 90; 90.258; 90 | 3246.2 | Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters Organic Chemistry Frontiers, 2017, 4, 2109 |
1554027 | CIF | C18 H15 Bi | I 1 2/a 1 | 26.5617; 5.7076; 20.2096 90; 109.72; 90 | 2884.16 | Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth. The journal of physical chemistry. A, 2016, 120, 6650-6669 |
1554146 | CIF | C22 H23 N O2 | I 1 2/a 1 | 14.715; 13.139; 17.882 90; 104.31; 90 | 3350 | Wang, Fang; DeRosa, Christopher A.; Song, Daniel; Dickie, Diane A.; Fraser, Cassandra L. Environment-Sensitive Azepane-Substituted β-Diketones and Difluoroboron Complexes with Restricted C‒C Bond Rotation The Journal of Physical Chemistry C, 2019, 123, 23124 |
1554606 | CIF | C57 H57 Cl N11 O2 U Zn | I 1 2/a 1 | 28.7327; 22.93; 24.8036 90; 102.077; 90 | 15979.9 | Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L. Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study Chemical Science, 2019, 10, 9740 |
1554608 | CIF | C87 H87 Cl Mg N17 O2 U | I 1 2/a 1 | 24.852; 23.01; 28.754 90; 102.183; 90 | 16073 | Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L. Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study Chemical Science, 2019, 10, 9740 |
1554846 | CIF | C34 H49 F12 N7 O4 P2 | I 1 2/a 1 | 24.915; 8.8562; 19.8464 90; 105.666; 90 | 4216.5 | Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David Stable dicationic dioxoliums and fate of their dioxolyl radicals Organic Chemistry Frontiers, 2019, 6, 3184 |
1556407 | CIF HKL Paper | C9 H7 N O2 | I 1 2/a 1 | 7.3633; 12.0641; 8.9185 90; 103.738; 90 | 769.6 | Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge 1-Nitro-4-(1-propyn-1-yl)benzene IUCrData, 2019, 4, x191585 |
1556425 | CIF | C20 H34 Cl2 Cu N4 O12 S2 | I 1 2/a 1 | 17.9524; 11.0913; 16.3512 90; 100.154; 90 | 3204.8 | Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L. Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers Inorganics, 2019, 7, 103 |
1556466 | CIF | C32 H28 Br O8 Ru2 | I 1 2/a 1 | 12.9939; 10.1996; 24.8297 90; 94.623; 90 | 3280 | Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R. Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties Inorganics, 2014, 2, 524-536 |
1556767 | CIF | C11 H9 N O6 | I 1 2/a 1 | 12.5506; 6.6807; 26.1586 90; 98.815; 90 | 2167.41 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
1556900 | CIF | C62 H79 Cl2 N5 O6 Pt S | I 1 2/a 1 | 26.7934; 12.4321; 39.1414 90; 106.494; 90 | 12501.4 | Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847 |
1557105 | CIF | C104 H96 B4 F16 N8 O4 Pd2 | I 1 2/a 1 | 28.36; 12.35285; 27.666 90; 94.6541; 90 | 9660.2 | Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science, 2020, 11, 677-683 |
1557207 | CIF | C19 H29 N3 O2 | I 1 2/a 1 | 17.03; 10.58; 22.26 90; 103.23; 90 | 3904 | Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media Chemical Science, 2020, 11, 2707-2715 |
1557315 | CIF | C6 H12 F N0.5 Na0.5 O5 S2.5 | I 1 2/a 1 | 11.9451; 11.9286; 16.2807 90; 101.179; 90 | 2275.79 | Okamoto, Yukihiro; Tsuzuki, Seiji; Tatara, Ryoichi; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide The Journal of Physical Chemistry C, 2020 |
1557444 | CIF | C31 H35 F6 N5 Ni O2 P | I 1 2/a 1 | 22.4997; 8.4913; 17.7726 90; 111.646; 90 | 3156 | Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690 |
1557514 | CIF | C7 H3 K N O4 | I 1 2/a 1 | 7.0581; 11.6424; 9.2407 90; 103.046; 90 | 739.74 | Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life. Nanoscale, 2020, 12, 7870-7874 |
1557940 | CIF | Al8 Ca4 H36 O50 Si8 | I 1 2/a 1 | 9.79; 10.437; 9.79 90; 90.97; 90 | 1000.2 | Wadoski-Romeijn, E.; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure American Mineralogist, 2013, 98, 1988-1997 |
1557941 | CIF | Al8 Ca4 H36 O50 Si8 | I 1 2/a 1 | 9.434; 9.044; 9.695 90; 89.04; 90 | 827.1 | Wadoski-Romeijn, E.; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure American Mineralogist, 2013, 98, 1988-1997 |
1558125 | CIF | C23 H21 F6 N3 O4 S4 | I 1 2/a 1 | 14.7979; 21.9313; 18.008 90; 112.854; 90 | 5385.48 | Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom The effect of structural heterogeneity upon the microviscosity of ionic liquids. Chemical science, 2020, 11, 6121-6133 |
1558370 | CIF | C36 H28 B2 Br2 N2 | I 1 2/a 1 | 18.504; 17.9348; 19.6933 90; 108.694; 90 | 6190.7 | Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes Chemical Science, 2020 |
1558479 | CIF | C15 H12 Cl N O3 | I 1 2/a 1 | 17.4699; 6.8917; 22.137 90; 103.57; 90 | 2590.8 | Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D. Large Transition State Stabilization from a Weak Hydrogen Bond Chemical Science, 2020 |
1558612 | CIF | C23 H21 Cl O7 | I 1 2/a 1 | 9.04; 16.15; 14.32 90; 101.67; 90 | 2047 | Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis Chemical Science, 2020 |
1558745 | CIF | C23 H31 N3 O4 | I 1 2/a 1 | 10.072; 10.703; 41.298 90; 90.973; 90 | 4451 | Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L. Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals The Journal of Physical Chemistry C, 2020, 124, 15565-15573 |
1559284 | CIF | C48 H48 F5 N4 Ni | I 1 2/a 1 | 17.3579; 13.3131; 19.0795 90; 105.933; 90 | 4239.65 | Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020 |
1559593 | CIF | C22 H13 Au2 Fe N7 O2 | I 1 2/a 1 | 14.1982; 22.6765; 14.9567 90; 90.0258; 90 | 4815.54 | Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326 |
1559636 | CIF | C32 H33 N3 O2 S | I 1 2/a 1 | 18.90952; 10.14583; 28.4275 90; 93.3559; 90 | 5444.54 | Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485 |
1560138 | CIF | C16 H14 N2 O4 | I 1 2/a 1 | 17.4514; 4.6477; 35.608 90; 102.334; 90 | 2821.46 | Park, Hyunchang; Lee, Dongwhan Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base. Chemical science, 2020, 12, 590-598 |
1560194 | CIF | Ca O8 Te3 | I 1 2/a 1 | 9.9866; 5.67205; 12.2351 90; 111.913; 90 | 642.98 | Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8 Mineralogical Magazine, 2019, 83, 439-549 |
1561204 | CIF | C252 H148 N42 O57 Tb7 | I 1 2/a 1 | 25.6264; 39.0611; 48.407 90; 103.147; 90 | 47185 | Zhu, Yuanyuan; Xia, Tifeng; Zhang, Qi; Cui, Yuanjing; Yang, Yu; Qian, Guodong A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers: Synthesis, characterization and ratiometric temperature sensing Journal of Solid State Chemistry, 2018, 259, 98-103 |
1562839 | CIF | C92 H169.6 N16 S8 Zn8 | I 1 2/a 1 | 27.1708; 8.98003; 58.2262 90; 91.0722; 90 | 14204.4 | Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E. Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides Chemical Science, 2021 |
1563142 | CIF | C48 H100 K N7 O6 Si6 U | I 1 2/a 1 | 22.6297; 23.9733; 23.9063 90; 92.9909; 90 | 12951.7 | Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds. Chemical science, 2021, 12, 6153-6158 |
1563504 | CIF | C7 H5 F In N O5 | I 1 2/a 1 | 12.929; 7.8554; 17.74 90; 100.66; 90 | 1770.6 | Kyung Kim, Min; Woo Lee, Dong; Min Ok, Kang In[NC5H3(CO2)2](OH2)F: A new layered indium-organic framework material (NC5H3(CO2)2=2,6-pyridinedicarboxylate) Journal of Solid State Chemistry, 2010, 183, 2406-2410 |
1563671 | CIF | C108 H72 Cl6 O12 | I 1 2/a 1 | 9.3082; 53.691; 30.7096 90; 97.504; 90 | 15216.2 | Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion Chemical Science, 2021 |
1563852 | CIF HKL | C48 H58 Br Cu2 N10 O14 Sm | I 1 2/a 1 | 18.971; 15.5933; 19.549 90; 101.681; 90 | 5663.2 | Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta, 2018, 483, 299-304 |
1563853 | CIF HKL | C48 H58 Br Cu2 Eu N10 O14 | I 1 2/a 1 | 18.972; 15.53; 19.512 90; 101.8; 90 | 5627 | Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta, 2018, 483, 299-304 |
1563854 | CIF HKL | C48 H58 Br Cu2 Gd N10 O14 | I 1 2/a 1 | 18.95; 15.55; 19.36 90; 101.39; 90 | 5593 | Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta, 2018, 483, 299-304 |
1563856 | CIF HKL | C48 H58 Br Cu2 Dy N10 O14 | I 1 2/a 1 | 18.968; 15.522; 19.472 90; 101.58; 90 | 5616 | Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties Inorganica Chimica Acta, 2018, 483, 299-304 |
1564073 | CIF | C80 H74 F4 N8 O2 S3 | I 1 2/a 1 | 9.93013; 33.0819; 23.3061 90; 94.7559; 90 | 7629.87 | Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics Energy & Environmental Science, 2021 |
1564114 | CIF | C28 H24 Cl12 Cu2 N4 O18 | I 1 2/a 1 | 19.2945; 6.0859; 37.7878 90; 98.136; 90 | 4392.5 | Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties Inorganica Chimica Acta, 2020, 512, 119890 |
1564312 | CIF | C34.12 H38.25 Cl1.25 N3 O3 Pd | I 1 2/a 1 | 18.1028; 14.4854; 24.8028 90; 101.78; 90 | 6367 | Dong, Jie; Wang, Baiquan Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm Polymer Chemistry, 2021, 12, 4736-4747 |
1564344 | CIF | C36 H25 Br Cu N3 O7 | I 1 2/a 1 | 30.0915; 7.7107; 32.6089 90; 117.332; 90 | 6721.5 | Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes. The Analyst, 2021, 146, 5230-5235 |
1564791 | CIF HKL Paper | C15 H16 N O1.5 | I 1 2/a 1 | 17.1405; 8.3052; 18.5156 90; 102.347; 90 | 2574.8 | Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou (3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate IUCrData, 2021, 6, x210989 |
1564849 | CIF | C22 H24 Cu N2 O8 S2 | I 1 2/a 1 | 11.5109; 21.0713; 20.3473 90; 98.719; 90 | 4878.2 | Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A. Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes Inorganics, 2021, 9, 69 |
1564895 | CIF | C42 H30 N6 O4 Os P | I 1 2/a 1 | 31.9083; 7.4874; 32.008 90; 94.356; 90 | 7624.9 | Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex Chemical Science, 2021 |
1565093 | CIF | C40 H26 | I 1 2/a 1 | 18.9032; 7.449; 38.5591 90; 96.953; 90 | 5389.57 | Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance. Materials horizons, 2021, 8, 3449-3456 |
1565094 | CIF | C40.4 H27.2 O0.2 | I 1 2/a 1 | 18.8241; 7.5014; 38.7559 90; 96.531; 90 | 5437.1 | Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance. Materials horizons, 2021, 8, 3449-3456 |
1565095 | CIF | C40.4 H27.2 O0.2 | I 1 2/a 1 | 18.8388; 7.4948; 38.7701 90; 96.653; 90 | 5437.2 | Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance. Materials horizons, 2021, 8, 3449-3456 |
1565096 | CIF | C40.4 H27.2 O0.2 | I 1 2/a 1 | 18.8286; 7.498; 38.7615 90; 96.684; 90 | 5435.03 | Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance. Materials horizons, 2021, 8, 3449-3456 |
1565238 | CIF | C94 H74 Mn5 N24 O12 | I 1 2/a 1 | 22.7117; 14.5551; 27.4 90; 91.973; 90 | 9052.3 | Tang, Qun; Yang, Yanli; Cheng, Ze; Chen, Xiuni; Lin, Qingmei; Zou, Zhiming; Zou, Hua-Hong; Liang, Fu-Pei Construction and magnetic properties of hemicyclic “phoenix crown” manganese clusters: Molecular assembly from {Mn5} to {Mn10} cluster Inorganica Chimica Acta, 2020, 504, 119438 |
1565534 | CIF | C14 H8 Cu N6 S8 | I 1 2/a 1 | 10.3099; 13.9369; 13.8855 90; 93.83; 90 | 1990.7 | Huang, Yulong; Mitchell, Travis; Yost, Dillon C.; Hu, Yong; Benedict, Jason B.; Grossman, Jeffrey C.; Ren, Shenqiang Emerged Metallicity in Molecular Ferromagnetic Wires. Nano letters, 2021, 21, 9746-9753 |
1565535 | CIF | C16 H16 N4 O2 | I 1 2/a 1 | 8.5718; 13.3508; 13.009 90; 93.729; 90 | 1485.6 | Purkait, Kallol; Mukherjee, Arindam Cytotoxicity and reactivity of a redox active 1,4-quinone-pyrazole compound and its Ru(II)-p-cymene complex Inorganica Chimica Acta, 2020, 502, 119361 |
1565800 | CIF | C21 H18 Ag N O5 | I 1 2/a 1 | 8.3073; 11.9213; 42.89 90; 95.119; 90 | 4230.6 | Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R. Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex Inorganica Chimica Acta, 2019, 498, 119167 |
1566158 | CIF | C31 H52 Al B Br4 N4 | I 1 2/a 1 | 11.781; 15.9628; 41.3531 90; 93.4263; 90 | 7762.9 | Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations Chemical Science, 2022, 13, 2303-2309 |
1566245 | CIF | C342 H236 Bi38 N4 O178 Ti16 | I 1 2/a 1 | 25.2403; 43.6932; 49.0721 90; 96.672; 90 | 53751.6 | Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2 Chemical Science, 2022 |
1566299 | CIF | C16 H18 O4 | I 1 2/a 1 | 15.851; 9.869; 17.994 90; 92.952; 90 | 2811.1 | Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>. Journal of natural products, 2022, 85, 127-135 |
1566383 | CIF | C46 H42 B2 F8 Fe N14 | I 1 2/a 1 | 22.0537; 9.5781; 22.3969 90; 98.891; 90 | 4674.11 | Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials Chemical Science, 2022 |
1566890 | CIF | C68 H80 Al2 N4 | I 1 2/a 1 | 16.9198; 22.2833; 17.4576 90; 117.934; 90 | 5815.14 | Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules Chemical Science, 2022 |
1566897 | CIF | C59.42 H70.28 B N3 | I 1 2/a 1 | 21.747; 19.582; 23.834 90; 90.748; 90 | 10148.8 | Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions Chemical Science, 2022 |
1566943 | CIF | C109 H177 O6 Tm3 | I 1 2/a 1 | 29.457; 16.1306; 46.333 90; 105.969; 90 | 21166 | Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science, 2022 |
1567099 | CIF | C22 H19 N3 O | I 1 2/a 1 | 21.1606; 7.1694; 25.5604 90; 110.862; 90 | 3623.5 | Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles. Chemical science, 2022, 13, 8080-8087 |
1567113 | CIF | C57 H53 Ag5 F9 N17 O9 S3 | I 1 2/a 1 | 25.7535; 24.5293; 24.9163 90; 91.174; 90 | 15736.7 | Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science, 2022, 13, 8095-8103 |
1567141 | CIF | C12 H16 N4 Ni O4 S | I 1 2/a 1 | 23.012; 6.0848; 10.6386 90; 91.194; 90 | 1489.3 | González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates New Journal of Chemistry, 2022, 46, 14786-14792 |
1567284 | CIF | C30 H40 Cu F6 N8 P | I 1 2/a 1 | 22.442; 10.441; 41.64 90; 91.84; 90 | 9752 | Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288 |
1567287 | CIF | C31 H40 Cu F3 N8 O3 S | I 1 2/a 1 | 22.769; 10.613; 42.709 90; 90.75; 90 | 10320 | Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes Chemical Science, 2022, 13, 8274-8288 |
1567467 | CIF | C79 H55.5 B Cl2 F20 N3 O3 | I 1 2/a 1 | 32.5289; 13.8777; 32.5269 90; 96.618; 90 | 14585.7 | Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation Chemical Science, 2022 |
1567553 | CIF | C44 H114 N10 Si12 U2 | I 1 2/a 1 | 24.4164; 11.4199; 29.7959 90; 106.683; 90 | 7958.4 | Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand Chemical Science, 2022 |
1567555 | CIF | C62 H150 K N12 O6 Si12 U2 | I 1 2/a 1 | 29.9688; 11.6805; 32.306 90; 115.332; 90 | 10221.3 | Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand Chemical Science, 2022 |
1567582 | CIF | C57 H84 F3 N2 O4.5 S | I 1 2/a 1 | 17.3378; 16.0403; 38.924 90; 95.096; 90 | 10782.1 | Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David The curious case of a sterically crowded Stenhouse salt Chemical Science, 2022, 13, 9755-9760 |
1567652 | CIF | C29.5 H31 Cl N2 | I 1 2/a 1 | 22.0567; 7.5133; 32.5379 90; 109.612; 90 | 5079.32 | Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents Chemical Science, 2022, 13, 11246-11251 |
1567655 | CIF | C24 H28 Br4 N4 O4 | I 1 2/a 1 | 20.6359; 5.1809; 27.7349 90; 104.528; 90 | 2870.4 | Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559 |
1567805 | CIF | C35 H56 F9 N6 O9 S3 | I 1 2/a 1 | 11.2729; 20.2466; 19.5699 90; 92.742; 90 | 4461.5 | Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539 |
1568097 | CIF | C9 H5 Cl N O6 Re | I 1 2/a 1 | 9.3367; 11.1259; 22.22 90; 99.672; 90 | 2275.39 | Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M. Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical science, 2023, 14, 711-720 |
1568101 | CIF | C10 H8 N O6 Re | I 1 2/a 1 | 9.2924; 11.1464; 22.2675 90; 100.09; 90 | 2270.73 | Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M. Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical science, 2023, 14, 711-720 |
1568102 | CIF | C20 H18 N2 O13 Re2 | I 1 2/a 1 | 22.7527; 10.614; 21.7337 90; 109.916; 90 | 4934.72 | Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M. Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical science, 2023, 14, 711-720 |
1568111 | CIF | C10 H10 N O8 Re | I 1 2/a 1 | 8.8821; 11.136; 26.399 90; 93.457; 90 | 2606.4 | Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M. Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical science, 2023, 14, 711-720 |
1568116 | CIF | C10 H10 N O7 Re | I 1 2/a 1 | 9.1881; 11.0679; 25.0097 90; 97.989; 90 | 2518.63 | Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M. Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical science, 2023, 14, 711-720 |
1568119 | CIF | C9 H7 F N O7 Re | I 1 2/a 1 | 9.0438; 11.1598; 23.9385 90; 96.213; 90 | 2401.85 | Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M. Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical science, 2023, 14, 711-720 |
1568202 | CIF | C29 H52 N4 O6 | I 1 2/a 1 | 25.8831; 5.6524; 43.78 90; 94.085; 90 | 6388.8 | Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen Chelating chloride using binuclear lanthanide complexes in water. Chemical science, 2023, 14, 1194-1204 |
1568352 | CIF | C34 H34 N6 O2 Sn2 | I 1 2/a 1 | 15.389; 8.8015; 23.005 90; 101.75; 90 | 3050.6 | Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja Excited state energy landscape of phosphorescent group 14 complexes. Chemical science, 2023, 14, 2489-2500 |
1568599 | CIF | C12 H9 N5 | I 1 2/a 1 | 20.845; 4.6353; 22.7163 90; 107.329; 90 | 2095.29 | Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A. 3-(5-Phenyl-2H-tetrazol-2-yl)pyridine Molbank, 2023, 2023, M1598 |
1568820 | CIF | C13 H13 N O | I 1 2/a 1 | 16.2725; 5.9701; 23.8665 90; 103.114; 90 | 2258.13 | Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J. Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits. Nanoscale, 2023, 15, 10573-10583 |
1569030 | CIF | C7 H4 Gd K4 N7 O6 S7 | I 1 2/a 1 | 20.0701; 6.4604; 22.2814 90; 107.245; 90 | 2759.15 | Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework Chemistry, 2023, 5, 987-995 |
1569031 | CIF | C7 H4 Dy K4 N7 O6 S7 | I 1 2/a 1 | 20.0808; 6.4405; 22.2609 90; 107.379; 90 | 2747.58 | Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework Chemistry, 2023, 5, 987-995 |
1569032 | CIF | C7 H4 K4 N7 O6 S7 Tb | I 1 2/a 1 | 20.0705; 6.4492; 22.255 90; 107.304; 90 | 2750.28 | Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework Chemistry, 2023, 5, 987-995 |
1569125 | CIF | C103 H111 Ag3 Au6 B5 F20 N21 | I 1 2/a 1 | 28.2746; 33.2019; 29.4805 90; 106.484; 90 | 26537.9 | Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes. Chemical science, 2023, 14, 6207-6215 |
1569126 | CIF | C123 H109 Ag4 Au6 B6 Cl4 F24 N27 | I 1 2/a 1 | 35.541; 15.07664; 50.5683 90; 93.2056; 90 | 27054.1 | Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes. Chemical science, 2023, 14, 6207-6215 |
1569162 | CIF | C58 H63 Br N4 O4 | I 1 2/a 1 | 14.8971; 23.3372; 33.3618 90; 92.469; 90 | 11587.7 | Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W. Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds. Chemical science, 2023, 14, 7867-7874 |
1569168 | CIF | C31 H51 Al K N3 O1.5 Si2 | I 1 2/a 1 | 18.16775; 13.05007; 30.7237 90; 102.709; 90 | 7105.83 | Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P. Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion. Chemical science, 2023, 14, 6278-6288 |
1569369 | CIF | C28 H15 N O2 | I 1 2/a 1 | 15.167; 10.9238; 11.5354 90; 94.397; 90 | 1905.57 | Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs. Materials horizons, 2023, 10, 3785-3790 |
1569480 | CIF | C29.5 H28 N2 O4.5 S | I 1 2/a 1 | 21.8311; 8.2255; 29.1754 90; 93.759; 90 | 5227.8 | Zhang, Pengfei; Jiang, Zhiwei; Fan, Zhoulong; Li, Guoshuai; Ma, Qingxue; Huang, Jun; Tang, Jinghong; Xu, Xiaohua; Yu, Jin-Quan; Jin, Zhong Macrocyclization <i>via</i> remote <i>meta</i>-selective C-H olefination using a practical indolyl template. Chemical science, 2023, 14, 8279-8287 |
1569489 | CIF | C28 H16 F8 O4 | I 1 2/a 1 | 17.2008; 8.132; 33.0797 90; 91.243; 90 | 4626 | Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties. Chemical science, 2023, 14, 8393-8400 |
1569669 | CIF | C136 H128 Ag9 Au5 Cu2 O2 P4 S8 | I 1 2/a 1 | 28.0881; 18.3857; 82.4807 90; 91.541; 90 | 42579.2 | Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>. Nanoscale, 2023, 15, 13784-13789 |
1569890 | CIF | C16 H24 Cl2 Fe N6 | I 1 2/a 1 | 17.306; 9.454; 36.444 90; 97.32; 90 | 5914 | Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021 |
1569989 | CIF | C34 H26 N2 S2 | I 1 2/a 1 | 9.8916; 25.9653; 10.937 90; 109.525; 90 | 2647.5 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
1570006 | CIF Paper | C76 H56 N4 O4 S4 Zn2 | I 1 2/a 1 | 20.2935; 16.6798; 25.1409 90; 109.835; 90 | 8005.1 | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. IUCrJ, 2023, 10 |
1570017 | CIF | C17 H23 N O2 | I 1 2/a 1 | 14.635; 10.097; 20.471 90; 103.824; 90 | 2937.4 | Just, David; Gonçalves, Carlos R; Vezonik, Uroš; Kaiser, Daniel; Maulide, Nuno General acid-mediated aminolactone formation using unactivated alkenes. Chemical science, 2023, 14, 10806-10811 |
1570264 | CIF | C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 | I 1 2/a 1 | 18.1765; 24.9651; 32.6981 90; 90.4373; 90 | 14837.3 | Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Dinitrogen cleavage by a dinuclear uranium(iii) complex. Chemical science, 2023, 14, 13485-13494 |
1570443 | CIF | C4 H10 O | I 1 2/a 1 | 7.7073; 4.0885; 13.233 90; 93.793; 90 | 416.08 | Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure. IUCrJ, 2024, 11, 57-61 |
1570492 | CIF | C92 H96 Fe6 In13 N6 O46 | I 1 2/a 1 | 27.37206; 15.00755; 31.8968 90; 94.0511; 90 | 13070.1 | Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science, 2024, 15, 726-735 |
1570527 | CIF | C30 H31 B F4 Mn N5 O3 | I 1 2/a 1 | 23.6994; 8.0465; 33.4683 90; 99.912; 90 | 6287.04 | Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A. Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation. Chemical science, 2024, 15, 1409-1417 |
1570561 | CIF Paper | C12 H26 N2 Ni O12 S2 | I 1 2/a 1 | 15.4103; 10.1338; 13.4284 90; 108.692; 90 | 1986.44 | Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M. Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate IUCrData, 2023, 8 |
1570568 | CIF | Dy2 O5 Si | I 1 2/a 1 | 10.4642; 6.74981; 12.5396 90; 102.739; 90 | 863.89 | Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687 |
1570569 | CIF | Dy2 O5 Si | I 1 2/a 1 | 10.4617; 6.74837; 12.5382 90; 102.748; 90 | 863.37 | Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687 |
1570570 | CIF | Er2 O5 Si | I 1 2/a 1 | 10.369; 6.7028; 12.464 90; 102.533; 90 | 845.62 | Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687 |
1570571 | CIF | Ho2 O5 Si | I 1 2/a 1 | 10.4156; 6.7273; 12.5019 90; 102.63; 90 | 854.8 | Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687 |
1570813 | CIF | C50 H51 B F15 K N O4 | I 1 2/a 1 | 23.8532; 21.0638; 21.3167 90; 97.97; 90 | 10606.9 | Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO<sub>2</sub>-borane compounds. Chemical science, 2024, 15, 3165-3173 |
1570978 | CIF | C31 H23 Br N2 O | I 1 2/a 1 | 15.4196; 7.0728; 44.912 90; 93.069; 90 | 4891.1 | Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption. Chemical science, 2024, 15, 3920-3927 |
1571063 | CIF | C48 H38 B N O S | I 1 2/a 1 | 18.072; 9.2591; 42.868 90; 93.026; 90 | 7163 | Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework. Chemical science, 2024, 15, 4790-4796 |
1571423 | CIF | C24 H44 F12 Li4 N4 O14 S5 | I 1 2/a 1 | 10.398; 19.9938; 22.173 90; 95.895; 90 | 4585.29 | Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide Evolving Better Solvate Electrolytes for Lithium Secondary Batteries Chemical Science, 2024 |
1571471 | CIF | C3 Na2 O2 | I 1 2/a 1 | 8.313; 7.2925; 6.4432 90; 102.186; 90 | 381.8 | Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion. Angewandte Chemie (International ed. in English), 2024, e202402978 |
2000163 | CIF Paper | C6 H16 N O6 P | I 1 2/a 1 | 15.108; 4.636; 28.819 90; 98.62; 90 | 1995.7 | Macíček, J.; Vladkova, T. Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate Acta Crystallographica Section C, 1991, 47, 2709-2711 |
2000182 | CIF Paper | C18 H15 Br O | I 1 2/a 1 | 17.607; 8.213; 19.976 90; 93.09; 90 | 2884.5 | Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J. Structure and photochemistry of a cyclohexenone and its solid-state photoproduct Acta Crystallographica Section C, 1991, 47, 2417-2419 |
2000248 | CIF Paper | C25 H18 Cl2 O | I 1 2/a 1 | 23.95; 6.55; 26.59 90; 96.4; 90 | 4145 | Barnes, J. C.; Horspool, W. M.; Mackie, F. I. 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol Acta Crystallographica Section C, 1991, 47, 1881-1885 |
2000426 | CIF Paper | C14 H16 I2 Pt Te2 | I 1 2/a 1 | 23.807; 9.548; 24.192 90; 136.48; 90 | 3787 | Levason, W.; Webster, M.; Mitchell, C. J. Structure of <i>trans</i>-diiodobis(methyl phenyl telluride)platinum(II) Acta Crystallographica Section C, 1992, 48, 1931-1933 |
2000430 | CIF Paper | C24 H21 N2 P | I 1 2/a 1 | 30.4088; 11.5561; 22.9996 90; 101.437; 90 | 7921.7 | Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A. Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes Acta Crystallographica Section C, 1992, 48, 1940-1945 |
2000921 | CIF Paper | C20 H18 Br N O4 | I 1 2/a 1 | 25.259; 4.876; 28.326 90; 96.215; 90 | 3468.2 | Atkinson, A. M.; Rogers, D. Structure of 4-bromo-13α-methyl-13aα<i>H</i>-tetrahydropseudocoptisin Acta Crystallographica Section C, 1992, 48, 931-932 |
2000926 | CIF Paper | C18 H28 N10 Ni O16 | I 1 2/a 1 | 16.288; 7.5741; 22.6836 90; 96.606; 90 | 2779.83 | Clegg, W.; Bharadwaj, P. K.; Mandal, S. Structure of [Ni(OH~2~)~2~(NH~2~CH~2~CH~2~CH~2~NH~2~)~2~][picrate]~2~ Acta Crystallographica Section C, 1992, 48, 942-943 |
2001151 | CIF Paper | C14 H25.33 Cl2 Fe N6 O1.67 | I 1 2/a 1 | 16.562; 9.704; 36.591 90; 92.21; 90 | 5876.4 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C, 1993, 49, 2102-2107 |
2001152 | CIF Paper | C14 H25.33 Cl2 N6 Ni O1.67 | I 1 2/a 1 | 16.477; 9.677; 36.534 90; 91.9; 90 | 5822.1 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C, 1993, 49, 2102-2107 |
2001153 | CIF Paper | C14 H25.33 Cl2 N6 O1.67 Zn | I 1 2/a 1 | 16.54; 9.709; 36.607 90; 92.01; 90 | 5875 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C, 1993, 49, 2102-2107 |
2001154 | CIF Paper | C14 H24 Cl2 Mn N6 O | I 1 2/a 1 | 13.01; 9.162; 15.669 90; 93.251; 90 | 1864.7 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ Acta Crystallographica Section C, 1993, 49, 2102-2107 |
2001749 | CIF Paper | C6 H8 Cd Cl O3 P | I 1 2/a 1 | 13.885; 5.8864; 21.624 90; 93.25; 90 | 1764.5 | Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J. Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands Acta Crystallographica Section C, 1993, 49, 1035-1036 |
2001845 | CIF Paper | C15 H19 Mn N5 O2 S2 | I 1 2/a 1 | 9.902; 12.581; 15.203 90; 101.46; 90 | 1856.2 | Brooker, S.; McKee, V. Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine Acta Crystallographica Section C, 1993, 49, 441-445 |
2002657 | CIF | O24 Os4 Sr11 | I 1 2/a 1 | 11.703; 16.058; 11.969 90; 90.03; 90 | 2249.3 | Tomaszewska, A; Mueller-Buschbaum, Hk Ein neues gemischtvalentes Oxoosmat (VI, VII): Sr11 (Os6+)2 (Os7+)2 O24 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1993, 619, 1738-1742 |
2002672 | CIF | Cu Mo2 O8 Sb | I 1 2/a 1 | 5.554; 4.916; 21.50998 90; 93.42; 90 | 586.3 | Szillat, H; Mueller-Buschbaum, Hk Zur Darstellung und Kristallstruktur eines neuen Kupfer-Antimon- Oxomolybdats: Cu Sb Mo2 O8 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1995, 50, 717-720 |
2002737 | CIF | O9 Sr2 V3 | I 1 2/a 1 | 6.929; 16.24599; 7.26 90; 115.82; 90 | 735.7 | Feldmann, J; Mueller-Buschbaum, Hk Kristallstrukturuntersuchung an einem Strontium-Vanadyl-Vanadat: Sr2 (V O) V2 O8 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1995, 50, 43-46 |
2002780 | CIF | O9 P2 Sr2 V | I 1 2/a 1 | 6.744; 15.866; 7.032 90; 115.412; 90 | 679.6 | Wadewitz, C; Mueller-Buschbaum, Hk Synthese und Struktur eines Strontium-Vanadyl-Phosphats: Sr (V O) (P O4)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 929-933 |
2002793 | CIF | As2 O9 Sr2 V | I 1 2/a 1 | 6.8716; 16.30698; 7.196 90; 115.67; 90 | 726.8 | Wadewitz, C; Mueller-Buschbaum, Hk Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1996, 51, 1290-1294 |
2002947 | CIF HKL Paper | C6 H10 N2 | I 1 2/a 1 | 14.1911; 8.252; 16.7382 90; 90.696; 90 | 1960 | Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B, 1999, 55, 441-447 |
2003486 | CIF HKL Paper | C26 H22 N4 O6 Zn | I 1 2/a 1 | 13.899; 12.156; 15.781 90; 105.84; 90 | 2565.1 | Falvello, L. R.; Hicke, S.; Mueller, T. E. <i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II) Acta Crystallographica Section C, 1995, 51, 859-861 |
2003565 | CIF Paper | C20 H22 Br N O6 | I 1 2/a 1 | 21.974; 7.2; 26.151 90; 110.18; 90 | 3883 | Kariuki, B. M.; Jones, W. Five Salts of Berberine Acta Crystallographica Section C, 1995, 51, 1234-1240 |
2004458 | CIF Paper | C26 H22 Mn N4 O6 | I 1 2/a 1 | 13.847; 12.2; 15.981 90; 105.72; 90 | 2598.7 | Hicke, S.; Mueller, T. E.; Falvello, L. R. <i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II) Acta Crystallographica Section C, 1996, 52, 307-309 |
2005492 | CIF Paper | C18 H10 Ag2 F6 N4 O7 S2 | I 1 2/a 1 | 13.032; 11.948; 16.295 90; 103.83; 90 | 2463.7 | Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S. Silver(I) Complexes of 1,4-Dicyanobenzene Acta Crystallographica Section C, 1996, 52, 2416-2419 |
2006008 | CIF Paper | C15 H22 O2 | I 1 2/a 1 | 17.812; 8.2826; 19.064 90; 99.878; 90 | 2770.8 | Boss, C.; Stoeckli-Evans, H.; Keese, R. <i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol Acta Crystallographica Section C, 1997, 53, 322-325 |
2006009 | CIF Paper | C15 H22 O2 | I 1 2/a 1 | 17.779; 8.238; 18.881 90; 99.92; 90 | 2724 | Boss, C.; Stoeckli-Evans, H.; Keese, R. <i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol Acta Crystallographica Section C, 1997, 53, 322-325 |
2006064 | CIF HKL Paper | C8 H24 F12 N4 Ni P2 S2 | I 1 2/a 1 | 17.582; 9.451; 24.558 90; 98.88; 90 | 4032 | Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M. Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate) Acta Crystallographica Section C, 1997, 53, 411-413 |
2006371 | CIF Paper | C12 H13 N2 O0.5 S2 | I 1 2/a 1 | 18.781; 5.292; 24.948 90; 90.47; 90 | 2479.5 | Kaitner, Branko; Pavlović, Gordana 2,2'-Diaminodiphenyl Disulfide Hemihydrate Acta Crystallographica Section C, 1997, 53, 1103-1105 |
2006528 | CIF Paper | C15 H10 Cl F N2 S | I 1 2/a 1 | 22.093; 7.878; 31.473 90; 100.28; 90 | 5389.9 | Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario 1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives Acta Crystallographica Section C, 1997, 53, 1337-1341 |
2006987 | CIF Paper | C12 H6 Cl2 S2 | I 1 2/a 1 | 21.311; 3.908; 27.581 90; 97.49; 90 | 2277.4 | Chang, Ning-Leh; Thomas, Stewart N.; Lynch, Vincent M.; Simonsen, Stanley H. 2,7-Dichlorothianthrene Acta Crystallographica Section C, 1998, 54, 266-267 |
2007086 | CIF Paper | C10 H20 Br4 I2 Pd S4 | I 1 2/a 1 | 14.651; 9.3117; 16.7648 90; 93.468; 90 | 2283 | Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions Acta Crystallographica Section C, 1998, 54, 295-298 |
2007122 | CIF Paper | C5 H5 N3 O2 | I 1 2/a 1 | 18.331; 3.678; 17.052 90; 98.43; 90 | 1137.2 | Angelova, Olyana; Petrova, Rosica; Atanasov, Vladimir 2-(Nitroamino)pyridine Acta Crystallographica Section C, 1998, 54, 441-442 |
2007641 | CIF Paper | C24 H22 N3 O2 P | I 1 2/a 1 | 16.599; 13.957; 18.105 90; 95.929; 90 | 4172 | Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio 2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one Acta Crystallographica Section C, 1998, 54, 1355-1357 |
2008194 | CIF HKL Paper | C9 H15 Cu Na O12 | I 1 2/a 1 | 13.524; 11.221; 18.41 90; 96.06; 90 | 2778.2 | Chui, Stephen Sin Yin; Siu, Alvin; Williams, Ian D. Sodium copper(II) trimesate, [NaCu{C~6~H~3~(COO)~3~}(H~2~O)~4~].2H~2~O, a double-sheet coordination polymer with bridging aqua ligands Acta Crystallographica Section C, 1999, 55, 194-196 |
2008402 | CIF Paper | C8 H12 | I 1 2/a 1 | 8.916; 6.0717; 12.62 90; 95.027; 90 | 680.6 | Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja Dispiro[2.1.2.1]octane at 103K Acta Crystallographica Section C, 1999, 55, IUC9900023 |
2009006 | CIF Paper | C11 H12 N2 O | I 1 2/a 1 | 12.1685; 13.724; 13.315 90; 114.792; 90 | 2018.7 | Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon 7-Phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-diazepin-5-one Acta Crystallographica Section C, 1999, 55, 1725-1727 |
2009572 | CIF Paper | C16 H26 N2 O4 | I 1 2/a 1 | 21.438; 8.161; 21.655 90; 109.98; 90 | 3560.6 | Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M. Structures of the choline ion in different crystal surroundings Acta Crystallographica Section C, 1994, 50, 617-623 |
2009655 | CIF Paper | C18 H28 Cl4 Cu2 N6 O7 | I 1 2/a 1 | 27.048; 10.298; 20.3 90; 102.62; 90 | 5517.8 | Abboud, K.A.; Palenik, R.C.; Palenik, G.J. Dichloro(2,6-diacetylpyridine dioxime-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) 1.5-hydrate Acta Crystallographica Section C, 1994, 50, 525-528 |
2009860 | CIF Paper | C5 H9 N4 O Pd S4 | I 1 2/a 1 | 23.39; 3.9832; 23.8 90; 90.46; 90 | 2217 | Abboudi, M.; Mosset, A. A palladium‒dithiooxamide complex Acta Crystallographica Section C, 1994, 50, 1057-1059 |
2010213 | CIF | Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 | I 1 2/a 1 | 5.578; 15.006; 6.275 90; 117.83; 90 | 464.5 | Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation Acta Crystallographica Section C, 1994, 50, 1651-1652 |
2012118 | CIF HKL Paper | C5 H6 N2 S | I 1 2/a 1 | 9.7411; 7.5931; 17.444 90; 112.682; 90 | 1190.5 | Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J. 1<i>H</i>-Pyrrole-2-carbothioamide Acta Crystallographica Section C, 2001, 57, 987-988 |
2012133 | CIF HKL Paper | C H5 Be N O4 P | I 1 2/a 1 | 9.6165; 9.0032; 9.6231 90; 90.951; 90 | 833.05 | Harrison, William T. A. [H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine Acta Crystallographica Section C, 2001, 57, 891-892 |
2012195 | CIF HKL Paper | C18 H20 N2 O6 | I 1 2/a 1 | 10.2455; 12.664; 27.446 90; 97.441; 90 | 3531.1 | Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P. Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity Acta Crystallographica Section C, 2001, 57, 1089-1091 |
2012255 | CIF HKL Paper | C16 H15.5 Cl N4 O6.25 | I 1 2/a 1 | 19.5883; 8.0623; 22.936 90; 90.559; 90 | 3622 | Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid Acta Crystallographica Section C, 2001, 57, 1184-1188 |
2012912 | CIF HKL Paper | C26 H30 O4 | I 1 2/a 1 | 15.368; 6.22; 23.142 90; 90.44; 90 | 2212.1 | Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej 1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene Acta Crystallographica Section C, 2002, 58, o549-o550 |
2013071 | CIF HKL Paper | C18 H22 Cl N5 | I 1 2/a 1 | 24.862; 7.3778; 19.633 90; 101.823; 90 | 3524.8 | Papandreou, Nikolaos C.; Makedonopoulou, Stella; Antoniadou-Vyza, Ekaterini A.; Mavridis, Irene M.; Hamodrakas, Stavros J. 2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride Acta Crystallographica Section C, 2002, 58, o730-o732 |
2013384 | CIF Paper | C16 H19 N7 S2 | I 1 2/a 1 | 8.0944; 13.9838; 30.482 90; 92.292; 90 | 3447.5 | Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire 3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine Acta Crystallographica Section C, 2003, 59, o293-o297 |
2013487 | CIF HKL Paper | C20 H26 O2 | I 1 2/a 1 | 9.415; 10.739; 15.332 90; 92.58; 90 | 1548.6 | Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha Precursors to dodecahedrane Acta Crystallographica Section C, 2003, 59, o373-o375 |
2013694 | CIF HKL Paper | C8 H8 Br N O2 Te | I 1 2/a 1 | 14.175; 9.582; 15.433 90; 95.7; 90 | 2085.8 | Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) Acta Crystallographica Section C, 2003, 59, o571-o574 |
2013926 | CIF HKL Paper | C2 H10 As2 N2 O4 | I 1 2/a 1 | 12.7854; 4.6647; 13.3343 90; 91.738; 90 | 794.89 | Lee, Clare; Harrison, William T. A. The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited) Acta Crystallographica Section C, 2004, 60, m215-m218 |
2014024 | CIF HKL Paper | C8 H6 Ba2 O19 Zr | I 1 2/a 1 | 9.201; 29.032; 9.2079 90; 115.45; 90 | 2221 | Vertruyen, Bénédicte; Robertz, Bénédicte; Guillaume, Bernard; Rulmont, André; Spirlet, Marie-Rose Dibarium zirconium tetraoxalate trihydrate Acta Crystallographica Section C, 2004, 60, m233-m234 |
2014464 | CIF HKL Paper | C13 H13 N3 O | I 1 2/a 1 | 13.3571; 10.7473; 15.7604 90; 90.914; 90 | 2262.2 | Grzyb, Justyna A.; Lough, Alan J.; Batey, Robert A. 1<i>H</i>-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone Acta Crystallographica Section C, 2004, 60, o730-o732 |
2014872 | CIF HKL Paper | C33 H30 F12 N8 P2 Ru S3 | I 1 2/a 1 | 23.685; 14.183; 25.264 90; 108.941; 90 | 8027 | Bruno, Giuseppe; Rotondo, Archimede; Tresoldi, Giuseppe; Nicoló, Francesco; Lanza, Santo Bis(di-2-pyridyl sulfide-κ^2^<i>N</i>,<i>N</i>')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^<i>N</i>,<i>S</i>)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate Acta Crystallographica Section C, 2005, 61, m169-m172 |
2015666 | CIF HKL Paper | C10 H10 Cl4 Mn N2 | I 1 2/a 1 | 6.9781; 12.7118; 14.1568 90; 91.206; 90 | 1255.5 | Li, Ming-Xue; Li, Su-Zhi <i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium Acta Crystallographica Section C, 2006, 62, m525-m526 |
2016260 | CIF HKL Paper | C4 H13 Cl2 N5 O2 | I 1 2/a 1 | 9.4045; 8.6089; 13.742 90; 107.742; 90 | 1059.67 | Gustavo Portalone; Marcello Colapietro Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate Acta Crystallographica Section C, 2007, 63, o655-o658 |
2016554 | CIF HKL Paper | C12 H20 N6 O4 | I 1 2/a 1 | 9.441; 16.347; 18.799 90; 90.045; 90 | 2901.3 | Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines Acta Crystallographica Section C, 2008, 64, o220-o225 |
2016587 | CIF HKL Paper | C32 H33 Cl Cu N7 O4 | I 1 2/a 1 | 21.834; 12.948; 23.502 90; 97.039; 90 | 6594 | Stibrany, Robert T.; Potenza, Joseph A. An alternating copolymer containing trigonal planar homocoordinated copper(I) ions: <i>catena</i>-poly[[[bis[μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(perchlorate) acetonitrile disolvate] Acta Crystallographica Section C, 2008, 64, m213-m216 |
2016604 | CIF HKL Paper | C20 H18 Cl2 N O1.5 | I 1 2/a 1 | 15.61; 13.2847; 17.2233 90; 91.358; 90 | 3570.7 | Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br) Acta Crystallographica Section C, 2008, 64, o269-o271 |
2016605 | CIF HKL Paper | C20 H18 Br2 N O1.5 | I 1 2/a 1 | 15.6975; 13.5505; 17.2562 90; 92.879; 90 | 3665.9 | Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br) Acta Crystallographica Section C, 2008, 64, o269-o271 |
2016719 | CIF HKL Paper | C4 H10 Cl2 Cu N2 O4 | I 1 2/a 1 | 15.224; 3.9694; 15.444 90; 94.73; 90 | 930.1 | Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag) Acta Crystallographica Section C, 2008, 64, m286-m291 |
2016834 | CIF HKL Paper | C6 H21 Eu O12 S3 | I 1 2/a 1 | 24.323; 5.4408; 27.066 90; 111.328; 90 | 3336.5 | Wallus, Sarah; Frank, Walter The first structural characterization of a rare earth ethanesulfonate Acta Crystallographica Section C, 2008, 64, m384-m386 |
2018212 | CIF HKL Paper | C52 H40 Cl4 Cu4 N4 O12 | I 1 2/a 1 | 20.326; 14.184; 36.696 90; 94.89; 90 | 10541 | Moncol, Jan; Jomova, Klaudia; Zelenicky, Lubomir; Lis, Tadeusz; Valko, Marian A tetranuclear copper(II) cluster: bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4-chlorobenzoato-κ<i>O</i>)tetrakis(μ~3~-2-pyridylmethanolato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II) Acta Crystallographica Section C, 2011, 67, m318-m320 |
2018252 | CIF HKL Paper | H8 N O11 Rb Te4 | I 1 2/a 1 | 18.999; 6.7318; 21.1835 90; 101.887; 90 | 2651.2 | Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A. A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra Acta Crystallographica Section C, 2011, 67, i45-i49 |
2018253 | CIF HKL Paper | H8 N O11 Rb Te4 | I 1 2/a 1 | 18.77; 6.645; 20.8 90; 101.61; 90 | 2541 | Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A. A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra Acta Crystallographica Section C, 2011, 67, i45-i49 |
2018254 | CIF HKL Paper | H8 N O11 Rb Te4 | I 1 2/a 1 | 18.604; 6.583; 20.295 90; 101.5; 90 | 2436 | Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A. A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra Acta Crystallographica Section C, 2011, 67, i45-i49 |
2018255 | CIF HKL Paper | H8 N O11 Rb Te4 | I 1 2/a 1 | 18.501; 6.542; 20.045 90; 101.41; 90 | 2378.2 | Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A. A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra Acta Crystallographica Section C, 2011, 67, i45-i49 |
2018256 | CIF HKL Paper | H N O11 Rb Te4 | I 1 2/a 1 | 18.344; 6.473; 19.62 90; 101.4; 90 | 2284 | Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A. A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra Acta Crystallographica Section C, 2011, 67, i45-i49 |
2018603 | CIF HKL Paper | C9 H11 N O6 | I 1 2/a 1 | 17.241; 6.1519; 20.71 90; 107.96; 90 | 2089.6 | Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst Pseudopolymorphs of chelidamic acid and its dimethyl ester Acta Crystallographica Section C, 2012, 68, o344-o350 |
2019171 | CIF Paper | C23 H31 Cl N O3 P Si | I 1 2/a 1 | 17.3791; 14.7131; 20.019 90; 90.464; 90 | 5118.7 | Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W. Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates Acta Crystallographica Section C, 2013, 69, 1157-1163 |
2019268 | CIF Paper | C6 H9 Cl N2 O2 | I 1 2/a 1 | 13.1489; 6.578; 17.0721 90; 90.42; 90 | 1476.59 | Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D. Enantiotropically related polymorphs of gaboxadol hydrochloride Acta Crystallographica Section C, 2013, 69, 1234-1237 |
2019436 | CIF HKL Paper | C2 N4 O4 S3 | I 1 2/a 1 | 11.182; 8.436; 8.609 90; 91.36; 90 | 811.9 | Jones, Ray Three trithiadiazepines and a trithiatriazepine Acta Crystallographica Section C, 2014, 70, 60-66 |
2019604 | CIF HKL Paper | H12 O14 S2 U | I 1 2/a 1 | 7.519; 13.2464; 11.5073 90; 104.388; 90 | 1110.18 | Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures Acta Crystallographica Section C, 2014, 70, 726-731 |
2020102 | CIF HKL Paper | C8 H12 Br2 F4 N2 | I 1 2/a 1 | 10.9815; 10.8697; 11.1525 90; 111.135; 90 | 1241.7 | Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G. Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane Acta Crystallographica Section C, 2015, 71 |
2020392 | CIF HKL Paper | C11 H13 N3 O8 | I 1 2/a 1 | 17.8382; 10.322; 14.5599 90; 101.06; 90 | 2631.1 | Smith, Graham; Lynch, Daniel E. Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues Acta Crystallographica Section C, 2016, 72, 105-111 |
2020660 | CIF HKL Paper | C34 H50 Cl6 N2 O5 | I 1 2/a 1 | 14.8441; 13.2872; 21.0311 90; 105.191; 90 | 4003.2 | Cai, Xiao-Qing; Tian, Bei; Zhang, Jian-Nan; Jin, Zhi-Min The hydrogen-bonded complex bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol‒2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiral <i>R</i>~5~^3^(10) hydrogen-bonded ring as a supramolecular synthon Acta Crystallographica Section C, 2016, 72, 720-723 |
2020856 | CIF HKL | C17 H18 Cl Fe N3 O2 | I 1 2/a 1 | 20.8783; 7.4013; 23.2605 90; 108.146; 90 | 3415.6 | Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1) Acta Crystallographica Section C, 2017, 73 |
2021391 | CIF Paper | C116 H90.67 As2 Cu8 Eu2 K2 N16 O117.5 W22 | I 1 2/a 1 | 30.5449; 14.2507; 48.6187 90; 107.836; 90 | 20145.9 | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates Acta Crystallographica Section C Structural Chemistry, 2018, 74 |
2021392 | CIF HKL Paper | C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 | I 1 2/a 1 | 30.5038; 14.1439; 48.2029 90; 108.131; 90 | 19764.2 | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates Acta Crystallographica Section C Structural Chemistry, 2018, 74 |
2021393 | CIF HKL Paper | C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 | I 1 2/a 1 | 30.4415; 14.0792; 48.0609 90; 108.235; 90 | 19564.1 | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates Acta Crystallographica Section C Structural Chemistry, 2018, 74 |
2021394 | CIF HKL Paper | C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 | I 1 2/a 1 | 30.481; 14.104; 48.1783 90; 108.247; 90 | 19670.6 | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates Acta Crystallographica Section C Structural Chemistry, 2018, 74 |
2021395 | CIF HKL Paper | C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 | I 1 2/a 1 | 30.4802; 14.113; 48.116 90; 108.169; 90 | 19665.9 | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates Acta Crystallographica Section C Structural Chemistry, 2018, 74 |
2021396 | CIF HKL Paper | C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 | I 1 2/a 1 | 30.581; 14.1638; 48.299 90; 108.273; 90 | 19865 | Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates Acta Crystallographica Section C Structural Chemistry, 2018, 74 |
2021516 | CIF HKL Paper | C12 H12 N6 O3 | I 1 2/a 1 | 12.189; 18.7185; 12.4701 90; 106.612; 90 | 2726.4 | Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones Acta Crystallographica Section C, 2019, 75 |
2021716 | CIF HKL Paper | C28 H26 Cd Cl2 N12 O15 | I 1 2/a 1 | 15.146; 12.2411; 17.6555 90; 99.104; 90 | 3232.2 | Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions Acta Crystallographica Section C, 2019, 75 |
2021717 | CIF HKL Paper | C28 H24 Cl2 N12 O14 Pb | I 1 2/a 1 | 15.2909; 14.2702; 15.4064 90; 92.174; 90 | 3359.32 | Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions Acta Crystallographica Section C, 2019, 75 |
2021841 | CIF HKL Paper | C9 H8 N4 | I 1 2/a 1 | 11.4608; 5.3791; 26.74 90; 91.457; 90 | 1648 | Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Garcia, Esteban; Tenorio, Juan-C.; Ellena, Javier Synthesis, spectroscopic (FT‒IR and UV‒Vis), crystallographic and theoretical studies, and amolecular docking simulation of an imatinib-like template Acta Crystallographica Section C, 2019, 75 |
2022236 | CIF HKL Paper | C15 H8 Br I O3 | I 1 2/a 1 | 26.4214; 4.76309; 46.6213 90; 106.034; 90 | 5638.9 | Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols Acta Crystallographica Section C, 2020, 76 |
2022282 | CIF HKL Paper | C24 H14 F6 O4 | I 1 2/a 1 | 23.308; 7.132; 27.253 90; 112.62; 90 | 4182 | Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates Acta Crystallographica Section C, 2020, 76 |
2022571 | CIF HKL Paper | C21 H16 Br N6 O3 | I 1 2/a 1 | 15.5664; 15.3769; 18.4445 90; 109.359; 90 | 4165.3 | Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe New solvates and a salt of the anti-HIV compound etravirine Acta Crystallographica Section C, 2021, 77, 698-706 |
2022772 | CIF HKL Paper | C65 H60 N12 O10 | I 1 2/a 1 | 16.82625; 16.73298; 26.7833 90; 105.216; 90 | 7276.56 | Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain 2-[3-(1<i>H</i>-Benzimidazol-2-yl)prop-yl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1<i>H</i>-benzimidazol-2-yl)propane-ethyl acetate (2/1/2.94): co-crystallization between a salt, a neutral mol-ecule and a solvent. Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 562-566 |
2022833 | CIF HKL Paper | C16 H35 Br N2 O4 | I 1 2/a 1 | 12.6692; 7.0967; 22.3413 90; 103.022; 90 | 1957.04 | Carlson, Faith M.; Staples, Richard J.; Biros, Shannon M. Crystal structure of a (carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1) hydrogen-bonded dimer Acta Crystallographica Section E Crystallographic Communications, 2023, 79 |
2022939 | CIF HKL Paper | C15 H16 N2 O3 | I 1 2/a 1 | 13.742; 8.8912; 23.114 90; 94.742; 90 | 2814.5 | Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, Ibrahim G. Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate Acta Crystallographica Section E Crystallographic Communications, 2023, 79, 1142-1146 |
2022951 | CIF HKL Paper | C15 H15 F3 N2 O3 S | I 1 2/a 1 | 21.9709; 5.1271; 27.022 90; 93.633; 90 | 3037.8 | Richter, Adrian; Goddard, Richard; Imming, Peter; Seidel, Rüdiger W. Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one Acta Crystallographica Section E Crystallographic Communications, 2023, 79, 1194-1198 |
2023018 | CIF HKL Paper | C23 H19 N O16 Pr2 | I 1 2/a 1 | 27.4898; 5.9436; 32.0473 90; 93.854; 90 | 5224.32 | Yotnoi, Bunlawee; Rujiwatra, Apinpus Crystal structure and characterization of a new lanthanide coordination polymer, [Pr<sub>2</sub>(pydc)(phth)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]·H<sub>2</sub>O. Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 228-231 |
2100457 | CIF Paper | C2 H6 O4 S | I 1 2/a 1 | 8.9007; 5.8099; 10.2451 90; 101.69; 90 | 518.81 | Acta Crystallographica, Section B, 2006, 62, 280-286 |
2100510 | CIF Paper | C2 Ba F6 O6 S2 | I 1 2/a 1 | 21.7505; 4.90797; 9.6949 90; 100.379; 90 | 1018.01 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
2100599 | CIF Paper | C12 D17 K3 N12 O16 | I 1 2/a 1 | 12.824; 16.332; 23.713 90; 97.514; 90 | 4923.8 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
2101051 | CIF Paper | C12 H8 Cl2 O2 S | I 1 2/a 1 | 20.2; 4.91; 12.054 90; 90.02; 90 | 1195.5 | Zúñiga, F. J.; Pérez-Mato, J. M.; Breczewski, T. Structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone at 90 K Acta Crystallographica Section B, 1993, 49, 1060-1068 |
2101114 | CIF Paper | C14 H19 Br N4 O2 | I 1 2/a 1 | 16.359; 10.469; 18.339 90; 90.9; 90 | 3140 | Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B, 1994, 50, 221-243 |
2102509 | CIF Paper | C10 H12 Cu N2 O6 S | I 1 2/a 1 | 6.963; 12.4686; 14.854 90; 101.01; 90 | 1265.9 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2102512 | CIF Paper | C20 H30 O2 | I 1 2/a 1 | 27.869; 5.771; 11.758 90; 91.43; 90 | 1890.5 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2102513 | CIF Paper | C23 H34 Cl2 Cu N4 O | I 1 2/a 1 | 18.63; 16.61; 16.972 90; 108.02; 90 | 4994.3 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2102520 | CIF Paper | C10 H24 F6 N4 O2 P Re | I 1 2/a 1 | 17.257; 5.533; 18.053 90; 98.14; 90 | 1706.4 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2102523 | CIF Paper | C19 H22 Cl2 Cu N6 O5 S4 | I 1 2/a 1 | 30.123; 7.564; 11.044 90; 91.27; 90 | 2516 | Prof. Clemente Dore Augusto; Prof. Marzotto Armando 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum Acta Crystallographica Section B, 2004, 60, 287-292 |
2103796 | CIF Paper | C26 H43 F3 O3 P2 Pd | I 1 2/a 1 | 20.244; 10.714; 27.238 90; 102.76; 90 | 5762 | Clemente, Dore Augusto; Marzotto, Armando 22 Space-group changes Acta Crystallographica Section B, 2003, 59, 43-50 |
2103797 | CIF Paper | C47 H63 N O6 Si | I 1 2/a 1 | 33.99; 9.5179; 29.467 90; 114.65; 90 | 8664 | Clemente, Dore Augusto; Marzotto, Armando 22 Space-group changes Acta Crystallographica Section B, 2003, 59, 43-50 |
2103865 | CIF Paper | C10 Mn2 O10 | I 1 2/a 1 | 14.1257; 6.8799; 14.3121 90; 105.078; 90 | 1343.01 | Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study Acta Crystallographica Section B, 2003, 59, 234-247 |
2103866 | CIF HKL Paper | C10 Mn2 O10 | I 1 2/a 1 | 14.1257; 6.8799; 14.3121 90; 105.078; 90 | 1343.01 | Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study Acta Crystallographica Section B, 2003, 59, 234-247 |
2105557 | CIF Paper | N O P | I 1 2/a 1 | 8.5194; 4.7448; 10.397 90; 90.013; 90 | 420.276 | Haines, J.; Chateau, C.; Léger, J. M.; Le Sauze, A.; Diot, N.; Marchand, R.; Hull, S. Crystal structure of moganite-type phosphorus oxynitride: relationship to other twinned-quartz-based structures Acta Crystallographica Section B, 1999, 55, 677-682 |
2105578 | CIF Paper | C16 H10 O5 | I 1 2/a 1 | 15.31; 6.111; 28.3 90; 101.61; 90 | 2594 | Valente, E. J.; Martin, S. B.; Sullivan, L. D. Pseudoacids. II. 2-Acylbenzoic Acid Derivatives Acta Crystallographica Section B, 1998, 54, 264-276 |
2106073 | CIF | Bi0.868 O2 Sr | I 1 2/a 1 | 4.905; 5.112; 29.857 90; 93.45; 90 | 747.288 | Leligny, H.; Grebille, D.; Perez, O.; Masset, A.C.; Hervieu, M.; Raveau, B. A five-dimensional structural investigation of the misfit layer compound (Bi0.87 Sr O2)2 (Co O2)1.82 Acta Crystallographica B (39,1983-), 2000, 56, 173-182 |
2106621 | CIF HKL Paper | C8 H10 N2 O5 | I 1 2/a 1 | 13.3114; 6.0032; 24.1094 90; 101.854; 90 | 1885.5 | Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis Acta Crystallographica Section B, 2015, 71 |
2107268 | CIF HKL | C10 H10 I4 N2 Pb | I 1 2/a 1 | 7.7839; 14.1821; 15.3644 90; 90.434; 90 | 1696.06 | Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T. Structural diversity in hybrid organic‒inorganic lead iodide materials Acta Crystallographica Section B, 2015, 71, 668-678 |
2107336 | CIF | Co4.36 Li1.4 Mg28.25 O112 Sc3.81 Si36.49 | I 1 2/a 1 | 9.432; 8.756; 48.792 90; 92.25; 90 | 4026.46 | Takeuchi, Y.; Ito, J.; Kudoh, Y. New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124 Acta Crystallographica B (39,1983-), 1984, 40, 115-125 |
2108055 | CIF HKL Paper | C14 H14 N2 O4 | I 1 2/a 1 | 20.333; 5.1356; 24.966 90; 90.909; 90 | 2606.7 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108056 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.332; 5.1318; 25.024 90; 90.917; 90 | 2610.7 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108057 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.296; 5.1263; 25.005 90; 90.95; 90 | 2601.2 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108058 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.088; 5.2242; 25.033 90; 92.308; 90 | 2624.9 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108059 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.084; 5.2206; 25.04 90; 92.375; 90 | 2623.2 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108060 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.126; 5.2212; 25.134 90; 92.401; 90 | 2638.8 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108061 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.161; 5.218; 25.234 90; 92.559; 90 | 2652 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108062 | CIF HKL | C14 H14 N2 O4 | I 1 2/a 1 | 20.246; 5.2132; 25.372 90; 92.557; 90 | 2675.3 | Chia, Tze Shyang; Quah, Ching Kheng Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal Acta Crystallographica Section B, 2017, 73, 285-295 |
2108402 | CIF HKL | C24 H22 Cl2 N2 O2 | I 1 2/a 1 | 18.1075; 14.16642; 18.5436 90; 117.163; 90 | 4232.16 | So, Hee-Soo; Matsumoto, Shinya Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione Acta Crystallographica Section B, 2019, 75 |
2108423 | CIF HKL | C20 H16 Co N6 S2 | I 1 2/a 1 | 17.5108; 13.8088; 18.915 90; 114.745; 90 | 4153.7 | Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes Acta Crystallographica Section B, 2019, 75 |
2108514 | CIF HKL | C18 H12 N6 | I 1 2/a 1 | 21.3047; 3.7345; 35.1825 90; 93.364; 90 | 2794.4 | Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties Acta Crystallographica Section B, 2019, 75 |
2108553 | CIF HKL Paper | B Cs H2 O8 P2 | I 1 2/a 1 | 13.4002; 7.4869; 14.5329 90; 90.059; 90 | 1458.03 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
2109073 | CIF HKL Paper | C3 H7 N3 O5 | I 1 2/a 1 | 8.6385; 6.6817; 11.6069 90; 107.466; 90 | 639.061 | Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations Acta Crystallographica Section B, 2022, 78 |
2200613 | CIF HKL Paper | C5 H15 Cl2 N2 O0.5 Pd | I 1 2/a 1 | 16.435; 7.562; 16.527 90; 90.28; 90 | 2054 | Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L. <i>cis</i>-(2-Amino-1,1-dimethylethylamine)dichloropalladium(II) ethanol hemisolvate Acta Crystallographica Section E, 2001, 57, m494-m495 |
2200646 | CIF Paper | C17 H18 Cl2 N8 O4 | I 1 2/a 1 | 19.929; 4.3417; 22.788 90; 91.4; 90 | 1971.2 | Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Sharon, Ashoke; Rawat, Diwan S.; Bal, Chandralata 1,3-Bis(8-chlorotheophyllin-7-yl)propane: a molecule with no intramolecular stacking Acta Crystallographica Section E, 2001, 57, o1163-o1165 |
2200844 | CIF HKL Paper | C7 H9 N | I 1 2/a 1 | 9.7236; 6.2851; 10.517 90; 95.691; 90 | 639.57 | Bond, Andrew D.; Davies, John E. 3,5-Lutidine Acta Crystallographica Section E, 2002, 58, o5-o7 |
2200856 | CIF HKL Paper | C12 H28 Cl4 N4 O4 Zn2 | I 1 2/a 1 | 16.4925; 7.2697; 19.2129 90; 109.412; 90 | 2172.59 | Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan Rerefinement of (μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-κ^4^<i>N</i>^1^,<i>N</i>^17^:<i>N</i>^7^,<i>N</i>^11^)bis[dichlorozinc(II)] Acta Crystallographica Section E, 2002, 58, m68-m69 |
2200975 | CIF HKL Paper | C14.5 H7 N2 O10 Ru3 | I 1 2/a 1 | 14.2248; 9.167; 59.834 90; 90.38; 90 | 7802.1 | Lozano Diz, Enrique; Neels, Antonia; Therrien, Bruno; Stoeckli-Evans, Helen; Süss-Fink, Georg A cluster containing a pyrazole ligand: [Ru~3~(μ-H)(μ-N~2~C~3~H~3~)(CO)~10~] Acta Crystallographica Section E, 2002, 58, m110-m112 |
2201150 | CIF HKL Paper | C16 H8 F4 I2 N2 | I 1 2/a 1 | 14.2535; 33.714; 14.3511 90; 100.831; 90 | 6773.5 | Rosalba Liantonio; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati 4,4'-Bipyridine 1,2-diiodo-3,4,5,6-tetrafluorobenzene Acta Crystallographica Section E, 2002, 58, o575-o577 |
2201234 | CIF HKL Paper | C33 H31 F3 N4 O3 S | I 1 2/a 1 | 14.383; 14.217; 15.252 90; 92.85; 90 | 3114.9 | Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza κ^2^<i>N</i>^13^,<i>N</i>^13'^-Hydro-<i>rac</i>-2,2'-bis[2-(1-propylbenzimidazol-2yl)]biphenyl trifluoromethanesulfonate, the salt of a novel proton sponge Acta Crystallographica Section E, 2002, 58, o1142-o1144 |
2201719 | CIF | Cl4 Pb | I 1 2/a 1 | 10.542; 5.359; 11.958 90; 115.83; 90 | 608 | Iain J. Maley; Simon Parsons; Colin R. Pulham Lead(IV) chloride at 150 K Acta Crystallographica, Section E, 2002, 58, i79-i81 |
2201773 | CIF HKL Paper | B3 O6 Tb | I 1 2/a 1 | 6.2147; 8.0225; 7.8111 90; 93.44; 90 | 388.74 | Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav Monoclinic modification of polymorphic TbB~3~O~6~ Acta Crystallographica Section E, 2003, 59, i83-i85 |
2204580 | CIF Paper | B3 Eu O6 | I 1 2/a 1 | 6.283; 8.0331; 7.8406 90; 93.7; 90 | 394.91 | Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav Europium triborate, EuB~3~O~6~ Acta Crystallographica, Section E, 2004, 60, i131-i133 |
2204581 | CIF Paper | B3 Ce O6 | I 1 2/a 1 | 6.4468; 8.1266; 7.93 90; 93.639; 90 | 414.62 | Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav Cerium triborate, CeB~3~O~6~ Acta Crystallographica, Section E, 2004, 60, i134-i135 |
2205398 | CIF HKL Paper | C20 H13 Mn N3 O7 | I 1 2/a 1 | 18.515; 9.927; 20.948 90; 94.659; 90 | 3837.5 | Zhu, Long-Guan; Xiao, Hong-Ping Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4-dicarboxylato] monohydrate] Acta Crystallographica Section E, 2005, 61, m769-m771 |
2205625 | CIF HKL Paper | C5 H11 N O2 S | I 1 2/a 1 | 9.877; 4.6915; 32.603 90; 106.25; 90 | 1450.4 | M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan β-<small>DL</small>-Methionine at 105 K Acta Crystallographica Section E, 2005, 61, o1165-o1167 |
2206234 | CIF HKL Paper | C3 H16 As2 N2 O8 | I 1 2/a 1 | 15.5563; 4.6549; 15.0454 90; 103.399; 90 | 1059.83 | Wilkinson, Hazel S.; Harrison, William T. A. Propane-1,3-diaminium bis(dihydrogenarsenate) Acta Crystallographica Section E, 2005, 61, m1289-m1291 |
2207982 | CIF HKL Paper | C6 H24 Cd N8 O6 | I 1 2/a 1 | 15.2574; 11.0441; 19.155 90; 90.246; 90 | 3227.7 | Timothy J. Prior Tris(ethylenediamine-κ^2^<i>N,N</i>')cadmium(II) dinitrate Acta Crystallographica Section E, 2006, 62, m352-m354 |
2208129 | CIF HKL Paper | C5 H5 Cd Cl2 N O | I 1 2/a 1 | 7.51; 15.531; 6.6809 90; 98.057; 90 | 771.6 | Englert, Ulli; Schiffers, Stefanie <i>catena</i>-Poly[cadmium(II)-di-μ-chloro-μ-4-1<i>H</i>-pyridone-κ<i>O</i>:κ<i>O</i>] Acta Crystallographica Section E, 2006, 62, m194-m195 |
2210613 | CIF HKL Paper | C18 H18 N O5 P | I 1 2/a 1 | 19.178; 9.8913; 19.1983 90; 114.513; 90 | 3313.6 | Małecka, Magdalena; Budzisz, Elżbieta 3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro-1,2λ^5^-benzoxaphosphinine-2,4-dione Acta Crystallographica Section E, 2006, 62, o4560-o4562 |
2212531 | CIF HKL Paper | C29 H31 N O3 S | I 1 2/a 1 | 12.7293; 10.4916; 39.6468 90; 96.99; 90 | 5255.5 | J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan (2<i>RS</i>,5<i>RS</i>,6<i>RS</i>)-Ethyl 4-hydroxy-2,6-di-<i>p</i>-tolyl-5-<i>p</i>-tolylsulfanyl-1,2,5,6-tetrahydropyridine-3-carboxylate Acta Crystallographica Section E, 2007, 63, o1375-o1376 |
2212534 | CIF HKL Paper | C22 H38.5 N4 O6.25 | I 1 2/a 1 | 20.4798; 10.5692; 23.072 90; 92.79; 90 | 4988 | A. Elangovan; A. Thamaraichelvan; A. Ramu; S. Athimoolam; S. Natarajan <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylbutane-1,4-diammonium bis(<i>p</i>-aminobenzoate) 2.25-hydrate Acta Crystallographica Section E, 2007, 63, o1418-o1420 |
2214085 | CIF HKL Paper | C26 H22 O4 | I 1 2/a 1 | 13.0715; 5.8535; 26.377 90; 90.339; 90 | 2018.2 | Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(4-methoxyphenyl)prop-2-en-1-one] Acta Crystallographica Section E, 2007, 63, o3067-o3067 |
2214795 | CIF HKL Paper | C15 H12 N2 O | I 1 2/a 1 | 23.64; 5.084; 19.2139 90; 93.974; 90 | 2303.7 | A. Thiruvalluvar; A. Thomas Gunaseelan; A. Ebenezer Martin; K. J. Rajendra Prasad; R. J. Butcher 3,9-Dimethyl-10<i>H</i>-isoxazolo[5,4-<i>a</i>]carbazole Acta Crystallographica Section E, 2007, 63, o3631-o3631 |
2215534 | CIF HKL Paper | C16 H42 Cl4 N4 O Ti2 | I 1 2/a 1 | 13.204; 10.131; 20.795 90; 99.973; 90 | 2739.7 | Straessler, Nicholas A.; Caudle, M. Tyler; Groy, Thomas L. μ-Oxido-bis[dichlorido(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)titanium(IV)] Acta Crystallographica Section E, 2007, 63, m2563-m2563 |
2216839 | CIF HKL Paper | C15 H14 O2 S | I 1 2/a 1 | 21.94; 5.0674; 23.314 90; 96.598; 90 | 2574.9 | Sarojini, B. K.; Yathirajan, H. S.; Narayana, B.; Swamy, M. T.; Kubicki, Maciej (2<i>E</i>)-3-(4-Methoxyphenyl)-1-(3-methyl-2-thienyl)prop-2-en-1-one Acta Crystallographica Section E, 2007, 63, o4688-o4688 |
2219734 | CIF HKL Paper | C16 H15 Cl O4 | I 1 2/a 1 | 19.255; 4.6454; 31.109 90; 90.519; 90 | 2782.5 | Botting, Nigel P.; Slawin, Alexandra M. Z.; Zhang, Qingzhi 1-(5-Chloro-2,4-dihydroxyphenyl)-2-(4-ethoxyphenyl)ethanone Acta Crystallographica Section E, 2008, 64, o2030 |
2219979 | CIF HKL Paper | C22 H17 Cl N2 O2 | I 1 2/a 1 | 20.2021; 8.05; 24.0238 90; 105.29; 90 | 3768.6 | Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Debache, Abdelmadjid; Belfaitah, Ali Ethyl 4-(2-chloroquinolin-3-yl)-1-phenyl-1<i>H</i>-pyrrole-3-carboxylate Acta Crystallographica Section E, 2008, 64, o2115-o2116 |
2220325 | CIF HKL Paper | C24 H32.68 N4 Ni O11.34 | I 1 2/a 1 | 20.7108; 17.4754; 15.646 90; 97.767; 90 | 5610.8 | Pavlová, Anna; Černák, Juraj; Harms, Klaus Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(maleato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)nickel(II) 7.34-hydrate Acta Crystallographica Section E, 2008, 64, m1536-m1537 |
2222568 | CIF Paper | Ge O5 Y2 | I 1 2/a 1 | 10.4706; 6.8292; 12.8795 90; 101.75; 90 | 901.66 | Rivera-Muñoz, Eric M.; Bucio, Lauro Rietveld refinement of Y~2~GeO~5~ Acta Crystallographica Section E, 2009, 65, i60 |
2223827 | CIF HKL Paper | C13.5 H15 F N4 O3.5 | I 1 2/a 1 | 14.3088; 10.79; 18.1286 90; 107.676; 90 | 2666.77 | Penthala, Narsimha Reddy; Reddy, Thirupathi Reddy Yerram; Parkin, Sean; Crooks, Peter A. 3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-5-yl)-5-fluoro-3-hydroxy-1-methylindolin-2-one methanol hemisolvate Acta Crystallographica Section E, 2009, 65, o2909-o2910 |
2226134 | CIF HKL Paper | C43 H40 Au2 N4 O6 P2 S2 | I 1 2/a 1 | 24.4; 16.1419; 24.594 90; 110.252; 90 | 9087.8 | Ho, Soo Yei; Tiekink, Edward R. T. [μ-1,2-Bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']bis{[(<i>Z</i>)-<i>O</i>-ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>]gold(I)} Acta Crystallographica Section E, 2010, 66, m622-m623 |
2227414 | CIF HKL Paper | C12 H8 Cl4 N2 | I 1 2/a 1 | 17.2346; 3.8767; 18.1573 90; 94.872; 90 | 1208.77 | Ugono, Onome; Douglas Jr, Marcel; Rath, Nigam P.; Beatty, Alicia M. 2,2',5,5'-Tetrachlorobenzidine Acta Crystallographica Section E, 2010, 66, o2285 |
2227863 | CIF HKL Paper | C14 H10 Cl4 O4 S | I 1 2/a 1 | 21.19; 5.8543; 26.6803 90; 98.304; 90 | 3275.06 | Li, Xueshu; Parkin, Sean; Duffel, Michael W.; Robertson, Larry W.; Lehmler, Hans-Joachim 4'-Chlorobiphenyl-3-yl 2,2,2-trichloroethyl sulfate Acta Crystallographica Section E, 2010, 66, o2306 |
2228785 | CIF HKL Paper | C20 H32 N6 O9 | I 1 2/a 1 | 11.288; 15.965; 14.449 90; 101.296; 90 | 2553.5 | Gao, Zhu-Qing; Gu, Jin-Zhong Piperazine-1,4-diium bis(hydrogen 2-propyl-1<i>H</i>-imidazole-4,5-dicarboxylate) monohydrate Acta Crystallographica Section E, 2011, 67, o31 |
2229769 | CIF HKL Paper | C11 H10 Br2 N4 | I 1 2/a 1 | 11.9075; 4.0523; 25.8065 90; 98.326; 90 | 1232.11 | Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu <i>N</i>,<i>N</i>'-Bis(5-bromopyridin-2-yl)methanediamine Acta Crystallographica Section E, 2011, 67, o833 |
2230649 | CIF HKL Paper | C7 H3 N2 O6 Rb | I 1 2/a 1 | 7.2789; 18.072; 7.3652 90; 91.7; 90 | 968.4 | Miao, Yanqing; Zhang, Xiaoqing; Liu, Chunye Poly[(μ~5~-3,5-dinitrobenzoato)rubidium] Acta Crystallographica Section E, 2011, 67, m1002 |
2235246 | CIF Paper | C32 H38 Co N12 O6 | I 1 2/a 1 | 17.7; 10.965; 18.37 90; 90.431; 90 | 3565 | Xiao, Chao-Hu; Song, Xue-Yan; Sun, Zan; Cao, Ping; Pang, Ting Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}cobalt(II) dinitrate Acta Crystallographica Section E, 2012, 68, m857 |
2238629 | CIF Paper | C10 H14 Cr N3 O11 | I 1 2/a 1 | 7.6456; 21.4096; 9.7404 90; 100.278; 90 | 1568.8 | Bebga, Gouet; Signé, Martin; Nenwa, Justin; Mbarki, Mohammed; Fokwa, Boniface P. T. Pyridinium <i>trans</i>-diaquabis[oxalato(2{-})-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate Acta Crystallographica Section E, 2013, 69, m567 |
2239296 | CIF HKL | C10 H16 Co O4 | I 1 2/a 1 | 9.276; 4.764; 50.154 90; 95.02; 90 | 2207.8 | Giuseppe, Bruno; Francesco, Nicolò; Giovanni, Grassi; Alessandro, Saccà; Mollica Nardo, Viviana Poly[(μ4-decanedioato)cobalt(II)] Acta Crystallographica Section E Structure Reports Online, 2014, 70, m159 |
2239700 | CIF HKL Paper | C24 H34 K O6 Sb | I 1 2/a 1 | 15.6933; 9.2655; 19.1321 90; 112.654; 90 | 2567.3 | Kaas, Marina; Friedrich, Ute; Korber, Nikolaus (18-Crown-6)potassium(I) diphenylstibate({-}1) Acta Crystallographica Section E, 2014, 70, m260 |
2239874 | CIF HKL | C18 H16 Cl6 N4 | I 1 2/a 1 | 16.4498; 6.0691; 21.605 90; 93.885; 90 | 2152 | Schmitt, Laurette; Stoeckli-Evans, Helen Crystal structure of 2,5-bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate Acta Crystallographica Section E, 2014, 70, o893-o894 |
2239963 | CIF HKL | C41.5 H36 Cl N3 P2 Ru | I 1 2/a 1 | 20.1817; 12.4559; 28.6781 90; 94.213; 90 | 7189.7 | Hernández-Calva, Adriana; Meléndez-Balbuena, Lidia; Arroyo, Maribel; Ramírez-Monroy, Armando Crystal structure of azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane hemisolvate Acta Crystallographica Section E, 2014, 70, m345-m346 |
2240074 | CIF HKL Paper | C5 H11 N O2 S | I 1 2/a 1 | 9.877; 4.6915; 32.603 90; 106.25; 90 | 1450.4 | Görbitz, Carl Henrik Redetermined structure of β-<small>DL</small>-methionine at 105K: an example of the importance of freely refining the positions of the amino-group H atoms Acta Crystallographica Section E, 2014, 70, 341-343 |
2240930 | CIF HKL Paper | C11 H16 Fe N2 O10.5 | I 1 2/a 1 | 14.796; 10.4422; 21.7751 90; 108.352; 90 | 3193.2 | Djomo, Edith Dimitri; Capet, Frédéric; Nenwa, Justin; Bélombé, Michel M.; Foulon, Michel Crystal structure of 4-(dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate Acta Crystallographica Section E, 2015, 71, 934-936 |
2240947 | CIF HKL | C17 H23 Cl N4 O2 | I 1 2/a 1 | 20.5012; 7.4565; 23.1414 90; 90.639; 90 | 3537.34 | Al-Alshaikh, Monirah A.; El-Emam, Ali A.; Al-Deeb, Omar A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of 4-phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide Acta Crystallographica Section E, 2015, 71, 956-959 |
2240959 | CIF HKL | C15 H13 Br O3 S | I 1 2/a 1 | 13.4748; 8.3853; 25.0214 90; 93.957; 90 | 2820.4 | Naik, Vasant S.; Shettigar, Venkataraya; Berglin, Tyler S.; Coburn, Jillian S.; Jasinski, Jerry P.; Yathirajan, Hemmige S. Crystal structures of (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one Acta Crystallographica Section E, 2015, 71, 966-972 |
2241665 | CIF HKL Paper | C13 H12.5 Br6 Cl1.5 O2 Re2 S8 | I 1 2/a 1 | 27.1825; 8.53737; 26.0667 90; 100.844; 90 | 5941.2 | Golichenko, Alexander A.; Kravchenko, Andrey V.; Omelchenko, Irina V.; Chudak, Denis M.; Starodub, Vladimir A.; Barszcz, Boleslaw; Shtemenko, Alexander V. Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate Acta Crystallographica Section E, 2016, 72, 712-715 |
2241793 | CIF HKL Paper | C2 H9 Br N2 | I 1 2/a 1 | 13.2423; 5.1239; 16.1839 90; 94.838; 90 | 1094.2 | Katinaitė, Judita; Harrison, William T. A. Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~ Acta Crystallographica Section E, 2016, 72, 1206-1210 |
2241803 | CIF HKL Paper | C48 H42 N14 O5 | I 1 2/a 1 | 18.1861; 7.1187; 35.707 90; 100.448; 90 | 4546.03 | Setifi, Fatima; Valkonen, Arto; Setifi, Zouaoui; Nummelin, Sami; Touzani, Rachid; Glidewell, Christopher Crystal structure of [tris(4,4'-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate Acta Crystallographica Section E, 2016, 72, 1246-1250 |
2242066 | CIF HKL Paper | C14 H33 N3 O16 Tb | I 1 2/a 1 | 20.1864; 10.2997; 23.832 90; 108.004; 90 | 4712.4 | Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L. Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane Acta Crystallographica Section E, 2017, 73, 278-285 |
2242347 | CIF HKL Paper | C9 H11 N O2 S2 | I 1 2/a 1 | 15.826; 8.0772; 18.431 90; 111.83; 90 | 2187.1 | Boukhedena, Wafia; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine; Hamdouni, Noudjoud; Boudjada, Ali Crystal structure of ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate Acta Crystallographica Section E, 2018, 74, 65-68 |
2242392 | CIF HKL Paper | C24 H42 Cu N10 O7 | I 1 2/a 1 | 20.107; 7.8939; 20.472 90; 102.651; 90 | 3170.5 | Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R. Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole Acta Crystallographica Section E, 2018, 74, 357-362 |
2242734 | CIF HKL | C12 H13 N O2 S | I 1 2/a 1 | 9.6424; 11.4059; 21.6672 90; 94.711; 90 | 2374.91 | Frampton, Christopher S.; Frampton, Eleanor S.; Thomson, Paul A. Two polymorphic forms of the oxathiin systemic fungicide active carboxine Acta Crystallographica Section E, 2018, 74, 1741-1745 |
2243162 | CIF HKL Paper | C24 H24 N2 O6 | I 1 2/a 1 | 16.9368; 15.413; 18.4562 90; 109.254; 90 | 4548.4 | Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate Acta Crystallographica Section E, 2019, 75, 1753-1758 |
2243289 | CIF HKL Paper | C36 H40 Cd I2 N6 | I 1 2/a 1 | 12.837; 20.1241; 15.2568 90; 110.871; 90 | 3682.7 | Tesouro Vallina, Ana; Stoeckli-Evans, Helen The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline) Acta Crystallographica Section E, 2020, 76, 410-416 |
2243592 | CIF HKL Paper | C22 H45 Br2 Cu3 N6 O7.5 | I 1 2/a 1 | 14.493; 8.8855; 26.6017 90; 103.998; 90 | 3324 | Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M. Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate Acta Crystallographica Section E, 2020, 76, 1641-1644 |
2243906 | CIF Paper | C12 H7 F2 N3 O2 | I 1 2/a 1 | 6.7062; 14.119; 11.2074 90; 97.14; 90 | 1052.94 | Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry Acta Crystallographica Section E, 2021, 77 |
2244065 | CIF HKL Paper | C18 H19 Cl2 N3 O3 | I 1 2/a 1 | 19.6562; 7.5587; 26.4903 90; 109.762; 90 | 3704 | Daoui, Said; Çınar, Emine Berrin; Dege, Necmi; Benchat, Noureddine; Saif, Eiad; Karrouchi, Khalid Crystal structure of (<i>E</i>)-3-({6-[2-(4-chlorophenyl)ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)pyridin-1-ium chloride dihydrate Acta Crystallographica Section E, 2022, 78, 458-462 |
2244149 | CIF HKL Paper | C24 H19 N O | I 1 2/a 1 | 18.6588; 5.4739; 35.5689 90; 100.729; 90 | 3569.37 | Cheng, Dong; Meng, Xiang-Zhen; Tian, Fuyu; Yan, Dong; Wang, Xiaofei; Qian, Xueli; Wang, Junnan Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine Acta Crystallographica Section E, 2022, 78 |
2300211 | CIF Paper | Lu2 O5 Si | I 1 2/a 1 | 10.255; 6.6465; 12.3626 90; 102.422; 90 | 822.91 | Cong, Hengjiang; Zhang, Huaijin; Wang, Jiyang; Yu, Wentao; Fan, Jiandong; Cheng, Xiufeng; Sun, Shangqian; Zhang, Jian; Lu, Qingming; Jiang, Chunjian; Boughton, Robert I. Structural and thermal properties of the monoclinic Lu~2~SiO~5~ single crystal: evaluation as a new laser matrix Journal of Applied Crystallography, 2009, 42, 284-294 |
2310526 | CIF | Ca H5 O6 P | I 1 2/a 1 | 5.812; 15.18; 6.239 90; 116.43; 90 | 492.91 | Beevers, C.A. The crystal structure of dicalcium phosphate dihydrate, Ca H P O4 (H2 O)2 Acta Crystallographica (1,1948-23,1967), 1958, 11, 273-277 |
2311277 | CIF | C21 H35 Cl N O2 P2 Re | I 1 2/a 1 | 18.6854; 10.7708; 25.599 90; 107.48; 90 | 4914.1 | Glatz, Mathias; Stöger, Berthold; Kirchner, Karl Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl]. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 941-949 |
2311285 | CIF Paper | C21 H16 N2 O2 | I 1 2/a 1 | 20.6017; 6.1461; 25.9689 90; 94.332; 90 | 3278.8 | Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R. Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile. Acta crystallographica. Section E, Crystallographic communications, 2015, 71, o468-9 |
2311865 | CIF Paper | C12 H20 As2 N2 O9 Sr | I 1 2/a 1 | 9.8935; 7.5844; 23.6669 90; 97.866; 90 | 1759.17 | Smith, Graham; Wermuth, Urs D. The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 61-67 |
2311866 | CIF Paper | C12 H20 As2 Ba N2 O9 | I 1 2/a 1 | 9.9997; 7.7305; 23.979 90; 98.214; 90 | 1834.6 | Smith, Graham; Wermuth, Urs D. The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 61-67 |
2311879 | CIF Paper | C28 H26 N8 Ni O2 | I 1 2/a 1 | 26.778; 7.4858; 12.472 90; 92.91; 90 | 2496.8 | Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole. Acta crystallographica. Section C, Structural chemistry, 2017, 73, 382-392 |
2312404 | CIF Paper | Cd2 H O5 P | I 1 2/a 1 | 12.4307; 6.691; 10.7087 90; 107.506; 90 | 849.43 | Eder, Felix; Weil, Matthias Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures. Acta crystallographica. Section E, Crystallographic communications, 2024, 80, 207-212 |
2312433 | CIF HKL Paper | C20 H13 K O4 | I 1 2/a 1 | 6.0126; 6.9783; 34.941 90; 93.359; 90 | 1463.53 | Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A. Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2024, 80 |
3000421 | On hold until 2023-04-02 | C9 H8 Li N O3 | I 1 2/a 1 | 11.6482; 5.0003; 30.317 90; 96.865; 90 | 1753.1 | Nikodem KUŹNIK; Kusz, Joachim; Książek, Maria To be published |
3500071 | CIF HKL | C7 H3 N3 | I 1 2/a 1 | 7.4485; 6.1845; 13.4791 90; 95.757; 90 | 617.79 | Thierry Maris Personal communication to COD, 2017 |
4000112 | CIF | C39 H46 Cl2 Cu N6 O2 | I 1 2/a 1 | 17.1905; 16.242; 26.8593 90; 91.593; 90 | 7496.4 | Chemistry of Materials, 2002 |
4002267 | CIF | Al Ge H2 K O5 | I 1 2/a 1 | 10.311; 9.749; 10.225 90; 90; 90 | 1027.84 | Tripathi, A.; Parise, J.B.; Kim, S.-J.; Johnson, G.M.; Lee, Y.-J.; Uh, Y.S. Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology Chemistry of Materials (1,1989-), 2000, 12, 3760-3769 |
4002269 | CIF | Al Ge H2 K0.5 Na0.5 O5 | I 1 2/a 1 | 10.323; 9.754; 10.238 90; 90.01; 90 | 1030.87 | Tripathi, A.; Parise, J.B.; Kim, S.-J.; Uh, Y.S.; Johnson, G.M.; Lee, Y.-J. Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology Chemistry of Materials (1,1989-), 2000, 12, 3760-3769 |
4002395 | CIF | La5.84 Mg4 O24 Ta2 W2 | I 1 2/a 1 | 7.8711; 31.9057; 7.8762 90; 90.08; 90 | 1977.97 | Khalyavin, D.D.; Lopes, A.B.; Mantas, P.Q.; Senos, A.M.R. Crystal structure of La6 Mg4 Ta2 W2 O24 oxide: A representative of a novel A(3n) B'(2n) B''(2n) O(12n) homologous series with n = 2 Chemistry of Materials (1,1989-), 2007, 18, 3843-3849 |
4020294 | CIF | C22 H22 Cl2 N2 O2 | I 1 2/a 1 | 17.2719; 7.3616; 17.7619 90; 115.421; 90 | 2039.74 | William W. Porter, III; Thomas P. Vaid Journal of Organic Chemistry, 2005, 70, 5028-5035 |
4021279 | CIF | C13 H12 Br2 O3 | I 1 2/a 1 | 9.788; 11.371; 24.734 90; 95.939; 90 | 2738.1 | Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G. A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System Journal of Organic Chemistry, 2004, 69, 5295-5301 |
4021994 | CIF | C18 H17 F | I 1 2/a 1 | 24.7067; 7.5782; 28.9751 90; 101.974; 90 | 5307 | Yi Wang; Jianjun Xu; Donald J. Burton A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes Journal of Organic Chemistry, 2006, 71, 7780-7784 |
4022222 | CIF | C36 H25 F7 O2 | I 1 2/a 1 | 15.57; 15.58; 24.91 90; 91.65; 90 | 6045 | Anastasia Detsi; Maria Koufaki; Theodora Calogeropoulou Synthesis of (Z)-4-Hydroxytamoxifen and (Z)-2-[4-[1-(p-Hydroxyphenyl)-2-phenyl]-1butenyl]phenoxyacetic Acid Journal of Organic Chemistry, 2002, 67, 4608-4611 |
4022400 | CIF | C24.5 H31 N2 O4.5 | I 1 2/a 1 | 11.3788; 14.1391; 28.7671 90; 93.657; 90 | 4618.8 | Françisco M. Raymo; Silvia Giordani; Andrew J. P. White; David J. Williams Digital Processing with a Three-State Molecular Switch Journal of Organic Chemistry, 2003, 68, 4158-4169 |
4022433 | CIF | C19 H26 O5 | I 1 2/a 1 | 17.11; 7.807; 27.288 90; 104.952; 90 | 3522 | Benoit Guay; Pierre Deslongchamps Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols Journal of Organic Chemistry, 2003, 68, 6140-6148 |
4023008 | CIF | C22 H32 N8 O2 | I 1 2/a 1 | 25.546; 9.3143; 21.518 90; 106.528; 90 | 4908.6 | Joe B. Gilroy; Steve D. J. McKinnon; Pierre Kennepohl; Mark S. Zsombor; Michael J. Ferguson; Laurence K. Thompson; Robin G. Hicks Probing Electronic Communication in Stable Benzene-Bridged Verdazyl Diradicals Journal of Organic Chemistry, 2007, 72, 8062-8069 |
4023591 | CIF | C20 H36 N12 O4.5 Ti | I 1 2/a 1 | 14.0304; 14.6037; 25.6883 90; 92.926; 90 | 5256.6 | Tal Hermon; Edit Y. Tshuva Synthesis and Conformational Analysis of Constrained Ethylene-Bridged Bis(hydroxylamino-1,3,5-triazine) Compounds as Tetradentate Ligands; Structure of Rigid Dinuclear Ti(IV) Complex Journal of Organic Chemistry, 2008, 73, 5953-5958 |
4023711 | CIF | C10 H14 B N O2 Si | I 1 2/a 1 | 23.951; 8.5113; 23.986 90; 91.92; 90 | 4887 | Sergiusz Luliński; Katarzyna Zajac Selective Generation of Lithiated Benzonitriles: the Importance of Reaction Conditions Journal of Organic Chemistry, 2008, 73, 7785-7788 |
4024260 | CIF | C24 H10 F8 Ge | I 1 2/a 1 | 22.677; 8.009; 22.944 90; 101.146; 90 | 4089 | Katharine Geramita; Jennifer McBee; T. Don Tilley 2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials Journal of Organic Chemistry, 2009, 74, 820-829 |
4024722 | CIF | C26.5 H30 Cl3 N2 O10 Os | I 1 2/a 1 | 13.0556; 17.6768; 29.0774 90; 94.934; 90 | 6685.7 | Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone Journal of Organic Chemistry, 2009, 74, 5429-5439 |
4025579 | CIF | C12 H14 N2 O2 | I 1 2/a 1 | 16.015; 5.4583; 25.143 90; 99.848; 90 | 2165.5 | Anthony W. Hill; Mark R. J. Elsegood; Marc C. Kimber An Intermolecular Hydroamination of Allenamides with Arylamines Catalyzed by Cationic Au(I) Salts Journal of Organic Chemistry, 2010, 75, 5406-5409 |
4026332 | CIF | C65.5 H78 Cl1.5 O6 | I 1 2/a 1 | 19.1205; 33.057; 19.4205 90; 106.776; 90 | 11752.6 | Lev Kuno; Silvio E. Biali Calix[4]arenes with Two Different Chemical Modifications at the Bridges Journal of Organic Chemistry, 2011, 76, 3664-3675 |
4027817 | CIF | Ag2 As4 Cl6 Hg6 | I 1 2/a 1 | 14.69; 9.1851; 20.285 90; 93.17; 90 | 2732.85 | Olenev, A.V.; Shevelkov, A.V.; Dikarev, E.V.; Oleneva, O.S. From Discrete to Extended Guests: Novel Supramolecular Assembly [Hg6As4](AgCl3)2 Featuring (AgCl32- Helical Anions. European Journal of Inorganic Chemistry, 2004, 2004, 4006-4010 |
4029384 | CIF | C34 H38 N2 O | I 1 2/a 1 | 45.341; 6.3267; 19.1637 90; 94.165; 90 | 5482.8 | Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways. The Journal of organic chemistry, 2014, 79, 4528-4543 |
4030345 | CIF | H148 Mo36 Na8 O186 | I 1 2/a 1 | 32.971; 19.662; 25.288 90; 95.73; 90 | 16312 | Krebs, B.; Stiller, S.; Tytko, K. H.; Mehmke, J. Structure and bonding in the high molecular weight isopolymolybdate ion, [Mo36O112(H2O)16]8-. The crystal structure of Na8[Mo36O112(H2O)16].58H2O European Journal of Solid State and Inorganic Chemistry, 1991, 28, 883-903 |
4030968 | CIF | C22 H19 N O4 | I 1 2/a 1 | 22.0146; 6.9363; 24.0365 90; 95.483; 90 | 3653.6 | Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin. The Journal of organic chemistry, 2015, 80, 4306-4312 |
4031011 | CIF | C34 H28 Br4 Cu S8 | I 1 2/a 1 | 13.9096; 14.1046; 21.077 90; 107.985; 90 | 3933 | Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties. Beilstein journal of organic chemistry, 2015, 11, 850-859 |
4031502 | CIF | B10 H8 N4 | I 1 2/a 1 | 11.411; 6.658; 13.058 90; 90; 90 | 992.074 | Whelan, T.; Brint, P.; Spalding, T.R.; Lloyd, D.R.; McDonald, W.S. Bonding in clusters. Part 5. The electronic, molecular, and crystal structure of 1,10- B10 H8 (N2)2. A combined theoretical, photoelectron and X-ray crystallographic study Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-), 1982, 1982, 2469-2473 |
4031609 | CIF | D I | I 1 2/a 1 | 8.8435; 11.8832; 8.8303 90; 85.435; 90 | 925.024 | Cockcroft, J.K.; Simon, A.; Borrmann, H.; Obermeyer, A. The crystal structures of the low-temperature modifications of deuterium iodide - a neutron study European Journal of Solid State Inorganic Chemistry, 1988, 25, 471-481 |
4032174 | CIF | C16 H10 N2 O2 | I 1 2/a 1 | 17.3587; 5.2827; 26.4239 90; 93.815; 90 | 2417.7 | Liu, Xing-Xing; Luo, Xin-Liang; Wu, Zhao-Yang; Cui, Xin-Feng; Zhou, Xiao-Qiang; He, Yong-Qin; Huang, Guo-Sheng Oxidative Recyclization of 1H-Indoles for Synthesis of 2-Indolylbenzoxazinones via Cleavage of the C2-C3 Bond with AIBN under Air. The Journal of organic chemistry, 2017, 82, 2107-2113 |
4032389 | CIF | C34 H32 N4 O4 | I 1 2/a 1 | 19.1282; 12.24; 25.3264 90; 97.9603; 90 | 5872.5 | Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K. Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy. The Journal of organic chemistry, 2017, 82, 3648-3658 |
4032647 | CIF | C21 H15 N3 O | I 1 2/a 1 | 13.8956; 15.1725; 18.2472 90; 102.099; 90 | 3761.6 | Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization. The Journal of organic chemistry, 2017, 82, 8228-8233 |
4032719 | CIF | C13 H14 N O4 | I 1 2/a 1 | 7.9578; 14.6936; 24.4705 90; 97.184; 90 | 2838.84 | Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines. The Journal of organic chemistry, 2017, 82, 8611-8616 |
4032772 | CIF | C53 H33 B Cl6 F2 N2 | I 1 2/a 1 | 28.2486; 9.3345; 35.1839 90; 103.793; 90 | 9010 | Zhao, Ning; Xuan, Sunting; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H Synthesis and Spectroscopic and Cellular Properties of Near-IR [a]Phenanthrene-Fused 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes. The Journal of organic chemistry, 2017, 82, 9744-9750 |
4033718 | CIF | C16 H17 Fe N O | I 1 2/a 1 | 10.9629; 21.9497; 11.2186 90; 109.088; 90 | 2551.1 | Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone. The Journal of organic chemistry, 2019, 84, 2817-2828 |
4033798 | CIF | C48 H38 N4 O2 | I 1 2/a 1 | 24.08; 8.0155; 20.6822 90; 117.408; 90 | 3543.8 | Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan Modulation of Chiroptical Properties in a Series of Helicene-like Compounds. The Journal of organic chemistry, 2019, 84, 10870-10876 |
4034468 | CIF | C17 H20 N2 O4 | I 1 2/a 1 | 10.566; 17.6181; 17.1644 90; 99.086; 90 | 3155.11 | Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J. Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes. The Journal of organic chemistry, 2019, 84, 11983-11991 |
4034755 | CIF | C34 H40 O13 | I 1 2/a 1 | 24.0009; 8.5212; 31.56 90; 93.151; 90 | 6444.8 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids. The Journal of organic chemistry, 2018, 83, 15426-15437 |
4034817 | CIF | C19 H20 N3 O8.5 S | I 1 2/a 1 | 26.451; 7.526; 20.2835 90; 99.598; 90 | 3981.3 | Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction. The Journal of organic chemistry, 2018, 83, 5859-5868 |
4035002 | CIF | C20 H15 N O3 S | I 1 2/a 1 | 10.2333; 11.2199; 29.166 90; 99.33; 90 | 3304.44 | Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes. The Journal of organic chemistry, 2018, 83, 1933-1939 |
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