Search results

Formula: - C37 H95 N3 Na O9 Si7 Sm -
Comments: 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 625(8) (1999) 1301-1309
Space group: I 1 2/a 1
Cell volume: 12039.3
Cell parameters: 22.753; 22.2736; 23.844; 90; 94.925; 90;

COD ID: 1100578

Formula: - C37 H95 N3 Na O9 Si7 Yb -
Comments: 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 625(8) (1999) 1301-1309
Space group: I 1 2/a 1
Cell volume: 11809.1
Cell parameters: 22.416; 22.2972; 23.7339; 90; 95.441; 90;

COD ID: 1100603
CIF file	Formula: - C44 H96 Cd4 N4 P4 Si4 - Comments: Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias Heterocubane Phosphoraniminato Complexes of Cadmium Inorganic Chemistry 37(5) (1998) 1099-1104 Space group: I 1 2/a 1 Cell volume: 6421.5 Cell parameters: 19.7939; 10.5997; 32.094; 90; 107.512; 90;

COD ID: 1100611

Formula: - C68 H86 Ce Cl2 Li3 N2 O6 P2 -
Comments: 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 624(7) (1998) 1187-1192
Space group: I 1 2/a 1
Cell volume: 14881.1
Cell parameters: 22.2109; 21.43; 31.644; 90; 98.887; 90;

COD ID: 1100612

Formula: - C68 H86 Cl2 Li3 N2 O6 P2 Sm -
Comments: 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 624(7) (1998) 1187-1192
Space group: I 1 2/a 1
Cell volume: 14767.5
Cell parameters: 22.099; 21.4538; 31.526; 90; 98.881; 90;

COD ID: 1502459
CIF file	Formula: - C27 H29 N O3 - Comments: 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 13(17) (2011) 4728-4731 Space group: I 1 2/a 1 Cell volume: 4400.9 Cell parameters: 27.1086; 5.9741; 29.628; 90; 113.48; 90;

COD ID: 1503272
CIF file	Formula: - C22 H31 N O6 Si0 - Comments: 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 12(23) (2010) 5386-5389 Space group: I 1 2/a 1 Cell volume: 8875.4 Cell parameters: 21.7453; 18.8909; 21.9832; 90; 100.632; 90;

COD ID: 1505409
CIF file	Formula: - C17 H24 N4 O6 - Comments: 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 9(12) (2007) 2341-2343 Space group: I 1 2/a 1 Cell volume: 7833 Cell parameters: 20.525; 12.332; 32.577; 90; 108.199; 90;

COD ID: 1505925
CIF file	Formula: - C29 H23 Cl3 - Comments: Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M. Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction. Organic letters 8(7) (2006) 1491-1494 Space group: I 1 2/a 1 Cell volume: 4663 Cell parameters: 18.1743; 14.9401; 17.2589; 90; 95.7046; 90;

COD ID: 1506356

Formula: - C26 H36 Cl2 N2 O6 Pt -
Comments: 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 48(25) (2005) 8060-8069
Space group: I 1 2/a 1
Cell volume: 5766.6
Cell parameters: 23.951; 7.8455; 32.732; 90; 110.353; 90;

COD ID: 1506572

Formula: - C12 H19 N O4 -
Comments: 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 7(11) (2005) 2197-2200
Space group: I 1 2/a 1
Cell volume: 2349.8
Cell parameters: 10.687; 7.678; 28.81; 90; 96.29; 90;

COD ID: 1507422

Formula: - C6 H12 F6 O8 S4 Sr -
Comments: 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 106(41) (2002) 9612
Space group: I 1 2/a 1
Cell volume: 1793
Cell parameters: 8.4221; 11.5766; 18.42; 90; 93.263; 90;

COD ID: 1507858
CIF file	Formula: - C35 H34 N2 O4 S2 - Comments: 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 14(12) (2012) 3214-3217 Space group: I 1 2/a 1 Cell volume: 7160.2 Cell parameters: 22.784; 11.0292; 29.49; 90; 104.934; 90;

COD ID: 1508070
CIF file	Formula: - C96 H55 N3 O14 S2 - Comments: 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 2(8) (2010) 653-660 Space group: I 1 2/a 1 Cell volume: 16855.3 Cell parameters: 28.5423; 22.2297; 28.8082; 90; 112.759; 90;

COD ID: 1508141

Formula: - C72 H82 Au2 Cl2 O4 P2 -
Comments: 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 2(12) (2010) 1062-1068
Space group: I 1 2/a 1
Cell volume: 8754
Cell parameters: 19.59; 22.495; 20.59; 90; 105.26; 90;

COD ID: 1509466
CIF file	Formula: - Ag Mo5 O33 P8 - Comments: 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 71 (1987) 131-138 Space group: I 1 2/a 1 Cell volume: 2553.85 Cell parameters: 23.05; 4.831; 22.935; 90; 90.42; 90;

COD ID: 1510813

Formula: - B2 Rb2 Se7 -
Comments: 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 627 (2001) 419-425
Space group: I 1 2/a 1
Cell volume: 1221.61
Cell parameters: 12.414; 7.314; 14.092; 90; 107.3; 90;

COD ID: 1510832

Formula: - B2 Se7 Tl2 -
Comments: 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 627 (2001) 419-425
Space group: I 1 2/a 1
Cell volume: 1118.91
Cell parameters: 11.878; 7.0909; 13.998; 90; 108.37; 90;

COD ID: 1510925
CIF file	Formula: - B3 La O6 - Comments: Hoffmann, W.; Ysker, J.S. Die Kristallstruktur des La B3 O6 Naturwissenschaften 57 (1970) 129-130 Space group: I 1 2/a 1 Cell volume: 421.126 Cell parameters: 7.956; 8.161; 6.499; 90; 93.63; 90;

COD ID: 1511391
CIF file	Formula: - B12 Na2 Ni2 O21 - Comments: Albert, B.; Pompetzki, M. Ein ionenleitendes Natriumnickelborat: Na2 Ni2 B12 O21 Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 2550-2553 Space group: I 1 2/a 1 Cell volume: 1447.47 Cell parameters: 17.0662; 4.48009; 19.4223; 90; 102.907; 90;

COD ID: 1512376
CIF file	Formula: - C26 H18 O - Comments: 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 15(19) (2013) 5032-5035 Space group: I 1 2/a 1 Cell volume: 3569.5 Cell parameters: 18.6916; 5.7783; 33.895; 90; 102.828; 90;

COD ID: 1512754

Formula: - C42 H36 Fe O3 P2 S2 -
Comments: 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 394 (2013) 289-294
Space group: I 1 2/a 1
Cell volume: 3659.3
Cell parameters: 18.889; 9.8572; 21.208; 90; 112.074; 90;

COD ID: 1512851

Formula: - C22 H21 N2 O2 P -
Comments: 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 395 (2013) 33-43
Space group: I 1 2/a 1
Cell volume: 8105.9
Cell parameters: 24.584; 9.2487; 36.028; 90; 98.297; 90;

COD ID: 1514149

Formula: - C30.5 H27 Co F6 N6 O6 S2 -
Comments: 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 7(4) (2014) 1477
Space group: I 1 2/a 1
Cell volume: 6678.1
Cell parameters: 24.9411; 11.4329; 26.1884; 90; 116.585; 90;

COD ID: 1514386

Formula: - C28.5 H18 B Cl3 F2 N4 -
Comments: 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 4(2) (2013) 612
Space group: I 1 2/a 1
Cell volume: 5055.41
Cell parameters: 14.0731; 11.5359; 31.2056; 90; 93.7226; 90;

COD ID: 1514981

Formula: - C47 H60 Co O9.75 Pt S4 -
Comments: 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 3(2) (2012) 602
Space group: I 1 2/a 1
Cell volume: 8855.2
Cell parameters: 22.814; 16.6711; 23.2989; 90; 92.135; 90;

COD ID: 1515260
CIF file	Formula: - C104 H118 N22 O20 - Comments: Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science 3(9) (2012) 2726 Space group: I 1 2/a 1 Cell volume: 11187.4 Cell parameters: 23.1428; 17.9913; 27.126; 90; 97.895; 90;

COD ID: 1515464

Formula: - C42 H28 -
Comments: 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 2(4) (2011) 672
Space group: I 1 2/a 1
Cell volume: 5679.8
Cell parameters: 16.7865; 9.2933; 36.414; 90; 91.02; 90;

COD ID: 1515993
CIF file	Formula: - C29 H20 O - Comments: 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 118(19) (2014) 3479-3489 Space group: I 1 2/a 1 Cell volume: 4004.78 Cell parameters: 24.2504; 8.1885; 21.5299; 90; 110.491; 90;

COD ID: 1516731

Formula: - C23 H15 Cr O5 P -
Comments: 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 110(31) (2006) 9736-9742
Space group: I 1 2/a 1
Cell volume: 4228.8
Cell parameters: 11.247; 15.014; 25.636; 90; 102.346; 90;

COD ID: 1518310
CIF file	Formula: - C12 H28 Ba3 O26 - Comments: 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 179 (2015) 343-357 Space group: I 1 2/a 1 Cell volume: 6008.7 Cell parameters: 13.4109; 16.2568; 27.9028; 90; 98.984; 90;

COD ID: 1518313

Formula: - C72 H68 F24 N26 O2 P4 Ru2 -
Comments: 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 425 (2015) 1-6
Space group: I 1 2/a 1
Cell volume: 9342.1
Cell parameters: 24.007; 14.6606; 26.57; 90; 92.563; 90;

COD ID: 1518507

Formula: - C27 H34 Cl2 N2 Se -
Comments: 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. 6(3) (2015) 1895
Space group: I 1 2/a 1
Cell volume: 3305
Cell parameters: 17.366; 9.4565; 21.295; 90; 109.08; 90;

COD ID: 1518703
CIF file	Formula: - C144 H96 Cl4 F N14 O8 - Comments: 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 16(23) (2014) 6128 Space group: I 1 2/a 1 Cell volume: 8667.9 Cell parameters: 19.9315; 23.719; 20.402; 90; 116.015; 90;

COD ID: 1518970

Formula: - C143.5 H198 F24 N14 O5.5 P4 Ru2 -
Comments: 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) 44(19) (2015) 8889-8905
Space group: I 1 2/a 1
Cell volume: 16915.4
Cell parameters: 19.8215; 44.837; 19.874; 90; 106.727; 90;

COD ID: 1519074
CIF file	Formula: - C18 H6 Cl4 N4 - Comments: Andresen, Thomas L.; Krebs, Frederik C.; Larsen, Mogens; Thorup, Niels Crystal Structure of Three Compounds Related to Triphenylene and Tetracyanoquinodimethane Acta Chemica Scandinavica 53 (1999) 410-416 Space group: I 1 2/a 1 Cell volume: 1708.6 Cell parameters: 13.692; 7.7183; 16.391; 90; 99.47; 90;

COD ID: 1519127
CIF file	Formula: - C58 H38 F48 Gd4 O27 - Comments: Underhill, Allan E.; Hursthouse, Michael B.; Malik, K.M. Abdul C40H18F48Gd4O26, 3(C6H6), H2O Crystal Structure Report Archive (1993) 1185 Space group: I 1 2/a 1 Cell volume: 8400 Cell parameters: 26.129; 12.714; 28.369; 90; 116.96; 90;

COD ID: 1519380

Formula: - C10 H12 Ag N3 O4 -
Comments: 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. 6(7) (2015) 3746
Space group: I 1 2/a 1
Cell volume: 1230.61
Cell parameters: 5.7265; 14.7681; 14.6482; 90; 96.59; 90;

COD ID: 1520715
CIF file	Formula: - C28 H28 N2 O4 S4 - Comments: 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. 6(10) (2015) 5491 Space group: I 1 2/a 1 Cell volume: 5406 Cell parameters: 15.181; 15.559; 23.696; 90; 105.016; 90;

COD ID: 1520794
CIF file	Formula: - Al5.84 Ca2.89 H32.64 O48.32 Si10.16 - Comments: Artioli, G.; Marchi, M. On the space group of garronite Powder Diffraction 14 (1999) 190-194 Space group: I 1 2/a 1 Cell volume: 1003.11 Cell parameters: 9.8799; 10.2801; 9.8764; 90; 90.113; 90;

COD ID: 1521120
CIF file	Formula: - C2 H17 N6 O20 P5 Zn4 - Comments: 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 148 (1999) 433-437 Space group: I 1 2/a 1 Cell volume: 2189.02 Cell parameters: 23.77; 5.1036; 18.1; 90; 94.491; 90;

COD ID: 1521948
CIF file	Formula: - Al0.465 La0.9 O2.9 Ti0.465 - Comments: 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 146 (1999) 437-438 Space group: I 1 2/a 1 Cell volume: 226.563 Cell parameters: 7.6855; 5.4347; 5.4243; 90; 90.221; 90;

COD ID: 1524106
CIF file	Formula: - B4 Ca2 Cl H21 O18 - Comments: 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 63 (1978) 814-823 Space group: I 1 2/a 1 Cell volume: 3179.05 Cell parameters: 22.783; 8.745; 16.066; 90; 96.705; 90;

COD ID: 1526832
CIF file	Formula: - Eu0.6 Nb O3.4 - Comments: 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 136 (2000) 25-30 Space group: I 1 2/a 1 Cell volume: 306.333 Cell parameters: 5.1162; 11.1352; 5.3946; 90; 94.616; 90;

COD ID: 1526833
CIF file	Formula: - Eu0.5 Nb O3.25 - Comments: 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 136 (2000) 25-30 Space group: I 1 2/a 1 Cell volume: 306.433 Cell parameters: 5.1162; 11.1347; 5.3965; 90; 94.603; 90;

COD ID: 1526835
CIF file	Formula: - Eu0.45 Nb O3.175 - Comments: 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 136 (2000) 25-30 Space group: I 1 2/a 1 Cell volume: 306.711 Cell parameters: 5.1178; 11.1384; 5.398; 90; 94.614; 90;

COD ID: 1528597

Formula: - Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -
Comments: 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 51 (2006) 241-247
Space group: I 1 2/a 1
Cell volume: 240.34
Cell parameters: 7.8106; 5.585; 5.5097; 90; 90.37; 90;

COD ID: 1528665

Formula: - Cl6 H10 O5 Pb2 Sr -
Comments: 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 25 (2006) 996-1002
Space group: I 1 2/a 1
Cell volume: 1434.71
Cell parameters: 9.071; 11.813; 13.659; 90; 101.41; 90;

COD ID: 1528779

Formula: - Ce0.21 La0.79 Nb O3.872 -
Comments: 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 181 (2008) 1445-1455
Space group: I 1 2/a 1
Cell volume: 331.447
Cell parameters: 5.1947; 11.50069; 5.56301; 90; 94.222; 90;

COD ID: 1528781

Formula: - Ce0.77 La0.23 Nb O3.82 -
Comments: 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 181 (2008) 1445-1455
Space group: I 1 2/a 1
Cell volume: 326.863
Cell parameters: 5.5403; 11.4354; 5.1744; 90; 94.396; 90;

COD ID: 1529350
CIF file	Formula: - C16 H10 Br F3 N2 O2 S - Comments: 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 17(10) (2015) 2470-2473 Space group: I 1 2/a 1 Cell volume: 3357.74 Cell parameters: 11.4371; 13.3473; 22.4306; 90; 101.301; 90;

COD ID: 1531238

Formula: - Mn O3 Pr0.6 Sr0.4 -
Comments: 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. 334 (2002) 1-8
Space group: I 1 2/a 1
Cell volume: 226.558
Cell parameters: 7.7758; 5.3981; 5.3975; 90; 90; 90;

COD ID: 1531438
CIF file	Formula: - F4 Li Y - Comments: 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-) 65 (2002) 104102-1-104102-6 Space group: I 1 2/a 1 Cell volume: 250.024 Cell parameters: 5.0416; 10.4174; 4.7808; 90; 95.279; 90;

COD ID: 1531601
CIF file	Formula: - F6 H12 N2 O4 Si - Comments: Kristl, M.; Drofenik, M.; Golic, L. Synthesis and structure of hydroxylammonium fluorosilicates Acta Chimica Slovenica 49 (2002) 243-250 Space group: I 1 2/a 1 Cell volume: 807.246 Cell parameters: 10.772; 7.336; 10.447; 90; 102.09; 90;

COD ID: 1532125
CIF file	Formula: - O3 V2 - Comments: 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 628 (2002) 1236-1242 Space group: I 1 2/a 1 Cell volume: 200.276 Cell parameters: 7.2727; 5.0027; 5.5432; 90; 96.762; 90;

COD ID: 1532185

Formula: - Ga0.87 La0.95 Mg0.13 O2.74 Sr0.05 -
Comments: 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 172 (2003) 396-411
Space group: I 1 2/a 1
Cell volume: 239.928
Cell parameters: 7.8227; 5.5555; 5.5208; 90; 90.035; 90;

COD ID: 1533306
CIF file	Formula: - Al Ba2 D7 - Comments: 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. 361 (2003) 180-186 Space group: I 1 2/a 1 Cell volume: 1127.3 Cell parameters: 13.197; 10.237; 8.509; 90; 101.29; 90;

COD ID: 1533441
CIF file	Formula: - Al2 Ca0.959 H3.64 O13.82 Si4 - Comments: 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-) 15 (2003) 475-484 Space group: I 1 2/a 1 Cell volume: 2519 Cell parameters: 13.666; 13.623; 13.531; 90; 90.5; 90;

COD ID: 1533584
CIF file	Formula: - O3 V2 - Comments: 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 174 (2003) 431-440 Space group: I 1 2/a 1 Cell volume: 200.708 Cell parameters: 7.2741; 5.0053; 5.5514; 90; 96.779; 90;

COD ID: 1533587

Formula: - Mo0.06 O3 V1.94 -
Comments: 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 174 (2003) 431-440
Space group: I 1 2/a 1
Cell volume: 200.954
Cell parameters: 7.2868; 4.9974; 5.559; 90; 96.926; 90;

COD ID: 1533590

Formula: - Mo0.1 O3 V1.9 -
Comments: 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 174 (2003) 431-440
Space group: I 1 2/a 1
Cell volume: 201.136
Cell parameters: 7.3039; 4.9875; 5.5646; 90; 97.141; 90;

COD ID: 1533633
CIF file	Formula: - Co La O3 - Comments: Haas, O.; Struis, R.P.W.J.; McBreen, J.M. Synchrotron X-ray absorption of La Co O3 perovskite Journal of Solid State Chemistry 177 (2004) 1000-1010 Space group: I 1 2/a 1 Cell volume: 222.195 Cell parameters: 5.3611; 5.4316; 7.6318; 90; 91.056; 90;

COD ID: 1534521
CIF file	Formula: - I4 La Sr - Comments: 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 628 (2002) 915-916 Space group: I 1 2/a 1 Cell volume: 932.969 Cell parameters: 7.4231; 14.852; 8.623; 90; 101.073; 90;

COD ID: 1534525
CIF file	Formula: - Ba I4 La - Comments: 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 628 (2002) 915-916 Space group: I 1 2/a 1 Cell volume: 977.148 Cell parameters: 7.4142; 15.04; 8.9681; 90; 102.28; 90;

COD ID: 1534528
CIF file	Formula: - Ce I4 Nd - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 920.39 Cell parameters: 7.3552; 14.776; 8.638; 90; 101.36; 90;

COD ID: 1534532
CIF file	Formula: - I4 La Nd - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 929.861 Cell parameters: 7.4031; 14.804; 8.6583; 90; 101.5; 90;

COD ID: 1534535
CIF file	Formula: - Ce I4 Sm - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 910.821 Cell parameters: 7.3625; 14.728; 8.5606; 90; 101.126; 90;

COD ID: 1534537
CIF file	Formula: - I4 La Sm - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 926.142 Cell parameters: 7.4226; 14.786; 8.5969; 90; 101.012; 90;

COD ID: 1534541
CIF file	Formula: - Ce I4 Sr - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 917.702 Cell parameters: 7.3581; 14.783; 8.602; 90; 101.25; 90;

COD ID: 1534545
CIF file	Formula: - Ba Ce I4 - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 961.26 Cell parameters: 7.352; 14.98; 8.936; 90; 102.381; 90;

COD ID: 1534549
CIF file	Formula: - Eu I4 La - Comments: 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 630 (2004) 2431-2433 Space group: I 1 2/a 1 Cell volume: 917.203 Cell parameters: 7.394; 14.791; 8.548; 90; 101.15; 90;

COD ID: 1536037
CIF file	Formula: - Cs2 H4 La N5 O17 - Comments: 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 35 (1990) 1395-1398 Space group: I 1 2/a 1 Cell volume: 1683.62 Cell parameters: 10.868; 9.063; 17.557; 90; 103.2; 90;

COD ID: 1536635

Formula: - B10 Br10 Cs2 H3.66 O1.83 -
Comments: 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 628 (2002) 258-268
Space group: I 1 2/a 1
Cell volume: 5096.87
Cell parameters: 13.6154; 12.1589; 31.084; 90; 97.916; 90;

COD ID: 1536967
CIF file	Formula: - H17 I3 O22 Pr2 - Comments: 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 629 (2003) 335-338 Space group: I 1 2/a 1 Cell volume: 3653.26 Cell parameters: 13.05; 21.6506; 12.9512; 90; 93.275; 90;

COD ID: 1536970
CIF file	Formula: - H17 I3 Nd2 O22 - Comments: 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 629 (2003) 335-338 Space group: I 1 2/a 1 Cell volume: 3629.7 Cell parameters: 13.022; 21.6112; 12.9223; 90; 93.5309; 90;

COD ID: 1536973
CIF file	Formula: - H17 I3 O22 Sm2 - Comments: 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 629 (2003) 335-338 Space group: I 1 2/a 1 Cell volume: 3567.13 Cell parameters: 12.9488; 21.4665; 12.8573; 90; 93.5238; 90;

COD ID: 1541224
CIF file	Formula: - F6 Ga H15 N4 O2 - Comments: Meden, A.; Golic, L.; Siftar, J. Structure of dihydrazinium hexafluorogallate dihydrate Documenta Chemica Yugoslavica. Vestnik Slovenskega Kemijskega Drustva 39 (1992) 319-324 Space group: I 1 2/a 1 Cell volume: 852.888 Cell parameters: 10.475; 6.462; 13.08; 90; 105.57; 90;

COD ID: 1542007
CIF file	Formula: - O5 Si Y2 - Comments: 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 15 (1970) 926-933 Space group: I 1 2/a 1 Cell volume: 852.658 Cell parameters: 10.41; 6.721; 12.49; 90; 102.65; 90;

COD ID: 1542693
CIF file	Formula: - C26 H20 F3 N O - Comments: 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 18(3) (2016) 600-603 Space group: I 1 2/a 1 Cell volume: 4107.5 Cell parameters: 18.3718; 5.6809; 40.089; 90; 100.975; 90;

COD ID: 1542848
CIF file Original IUCr paper	Formula: - C12 H8 Cl5 N O - Comments: Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R. Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals IUCrJ 1(4) (2014) 228-239 Space group: I 1 2/a 1 Cell volume: 2958.3 Cell parameters: 22.638; 7.2553; 18.013; 90; 90.767; 90;

COD ID: 1543020

Formula: - C41 H43 Fe4 N2 O12 P -
Comments: 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. 7(4) (2016) 2728
Space group: I 1 2/a 1
Cell volume: 8571.6
Cell parameters: 25.63; 10.6233; 31.622; 90; 95.408; 90;

COD ID: 1543075

Formula: - C27 H29 B F4 N2 O2 -
Comments: 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. 7(7) (2016) 4685
Space group: I 1 2/a 1
Cell volume: 2475.7
Cell parameters: 10.025; 19.7722; 12.5456; 90; 95.411; 90;

COD ID: 1543442
CIF file	Formula: - C69 H89 Fe3 N8 - Comments: 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. 7(9) (2016) 5736 Space group: I 1 2/a 1 Cell volume: 12481 Cell parameters: 25.7232; 12.6083; 38.521; 90; 92.547; 90;

COD ID: 1543443
CIF file	Formula: - C71 H95 Fe3 N8 - Comments: 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. 7(9) (2016) 5736 Space group: I 1 2/a 1 Cell volume: 12997.9 Cell parameters: 26.1506; 12.4838; 39.818; 90; 90.725; 90;

COD ID: 1543495

Formula: - C9 H20 Li P -
Comments: 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 642(3) (2016) 282-287
Space group: I 1 2/a 1
Cell volume: 2212.84
Cell parameters: 12.74672; 15.92732; 10.89957; 90; 90.0415; 90;

COD ID: 1543981

Formula: - C23 H46 K N3 O6 Si2 -
Comments: Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L. (18-Crown-6-κ^6^O){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κN^1^]azanido-κN}potassium(I) IUCrData 1(8) (2016) x161338
Space group: I 1 2/a 1
Cell volume: 6359.5
Cell parameters: 20.3301; 17.4558; 20.5691; 90; 119.399; 90;

COD ID: 1544160
CIF file	Formula: - C37 H42 F4 I N5 O - Comments: 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. 8(2) (2017) 938 Space group: I 1 2/a 1 Cell volume: 7376 Cell parameters: 20.258; 13.9884; 26.734; 90; 103.187; 90;

COD ID: 1544184
CIF file	Formula: - C110 H176 N6 P6 Ti2 - Comments: 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 8(2) (2017) 1209-1224 Space group: I 1 2/a 1 Cell volume: 5396.5 Cell parameters: 18.5929; 12.9042; 22.7421; 90; 98.499; 90;

COD ID: 1544292

Formula: - C28 H23 N9 O4 -
Comments: Janzen, Daron E.; Lange, Kayla A.; Wollack, James W. Ammonium hydrogen bis[4-(2-phenyl-2H-tetrazol-5-yl)benzoate] IUCrData 1(10) (2016) x161570
Space group: I 1 2/a 1
Cell volume: 2521.4
Cell parameters: 12.35; 4.8107; 42.812; 90; 97.569; 90;

COD ID: 1544298
CIF file	Formula: - C38 H26 N2 S - Comments: 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 120(42) (2016) 24030 Space group: I 1 2/a 1 Cell volume: 5710.5 Cell parameters: 17.9549; 5.7818; 55.027; 90; 91.498; 90;

COD ID: 1544807

Formula: - C35.38 H33.75 B2 Cl0.75 F18 N3 -
Comments: 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 8(3) (2017) 2337-2343
Space group: I 1 2/a 1
Cell volume: 8031.8
Cell parameters: 25.1883; 12.192; 26.4276; 90; 98.253; 90;

COD ID: 1544865

Formula: - Dy0.08 Nb0.45 O4 Ta0.57 Y0.75 -
Comments: 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 108 (2013) 335-344
Space group: I 1 2/a 1
Cell volume: 293.74
Cell parameters: 5.3182; 10.9583; 5.0595; 90; 94.993; 90;

COD ID: 1544907
CIF file	Formula: - Al2.5 Ca0.7 K0.17 Mn7.5 Na0.06 O32 Si9.8 - Comments: Kato, T. The crystal structure of ganophyllite; monoclinic subcell Mineralogical Journal 10 (1980) 1-13 Space group: I 1 2/a 1 Cell volume: 1878.98 Cell parameters: 5.534; 13.565; 25.09; 90; 93.96; 90;

COD ID: 1544960
CIF file	Formula: - C72 H79 O9 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 11887.2 Cell parameters: 30.303; 14.1499; 30.774; 90; 115.729; 90;

COD ID: 1545478
CIF file	Formula: - C23 H33 Cl2 N O3 S - Comments: Saint-Dizier, François; Simpkins, Nigel S. First total synthesis of concavine Chem. Sci. 8(5) (2017) 3384 Space group: I 1 2/a 1 Cell volume: 4599.29 Cell parameters: 26.9274; 5.87596; 29.0682; 90; 90.0555; 90;

COD ID: 1545776

Formula: - C64 H82 -
Comments: 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 121(17) (2017) 9202
Space group: I 1 2/a 1
Cell volume: 5098.4
Cell parameters: 16.3409; 9.0662; 35.1804; 90; 101.985; 90;

COD ID: 1545995

Formula: - C24 H17 N3 O7 S -
Comments: 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 19(10) (2017) 2466-2469
Space group: I 1 2/a 1
Cell volume: 4374.4
Cell parameters: 13.7214; 9.2266; 34.566; 90; 91.593; 90;

COD ID: 1546035

Formula: - Ca O4 W -
Comments: 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 67(9-10) (2006) 2164-2171
Space group: I 1 2/a 1
Cell volume: 279.47
Cell parameters: 5.069; 10.851; 5.081; 90; 90.091; 90;

COD ID: 1546037

Formula: - O4 Sr W -
Comments: 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 67(9-10) (2006) 2164-2171
Space group: I 1 2/a 1
Cell volume: 307.84
Cell parameters: 5.263; 11.182; 5.231; 90; 90.35; 90;

COD ID: 1546187

Formula: - C20 H26 F16 I2 N2 O4 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 3258.2
Cell parameters: 31.169; 5.462; 19.627; 90; 102.81; 90;

COD ID: 1546254
CIF file	Formula: - C42 H34 Cl10 F2 N O P Pt - Comments: Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci. (2017) Space group: I 1 2/a 1 Cell volume: 9100.3 Cell parameters: 23.6952; 14.2502; 27.6824; 90; 103.199; 90;

COD ID: 1546255
CIF file	Formula: - C40.4 H33.2 Cl4.2 F2 N P Pt - Comments: Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre Chem. Sci. (2017) Space group: I 1 2/a 1 Cell volume: 7422.34 Cell parameters: 14.61871; 17.9381; 28.6293; 90; 98.6391; 90;

COD ID: 1546587

Formula: - C12 H13 Cl N2 O2 -
Comments: El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 6-Chloro-1,4-diethylquinoxaline-2,3(1H,4H)-dione IUCrData 2(7) (2017) x171052
Space group: I 1 2/a 1
Cell volume: 2403.5
Cell parameters: 14.6454; 12.0415; 15.1149; 90; 115.621; 90;

COD ID: 1546674

Formula: - C22 H17 Cl N2 O2 -
Comments: El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar 1,4-Dibenzyl-6-chloroquinoxaline-2,3(1H,4H)-dione IUCrData 2(6) (2017) x170901
Space group: I 1 2/a 1
Cell volume: 7375.1
Cell parameters: 29.2234; 8.3076; 31.0407; 90; 101.859; 90;

COD ID: 1546707
CIF file HKL data	Formula: - C23 H21 N2 O0.5 - Comments: 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 2(7) (2017) x171070 Space group: I 1 2/a 1 Cell volume: 3549.8 Cell parameters: 22.1001; 6.7624; 24.5714; 90; 104.835; 90;

COD ID: 1547574
CIF file	Formula: - C16 H21 Br - Comments: 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 19(18) (2017) 4766-4769 Space group: I 1 2/a 1 Cell volume: 2865.5 Cell parameters: 19.772; 6.1368; 23.6786; 90; 94.152; 90;

COD ID: 1547648

Formula: - C8 H11 B O3 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 1687.64
Cell parameters: 19.815; 5.02009; 18.2337; 90; 111.493; 90;

COD ID: 1548088

Formula: - C66 H150 Cs2 N10 Si6 U2 -
Comments: 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 7 (2016) 13773
Space group: I 1 2/a 1
Cell volume: 8603.83
Cell parameters: 22.76348; 17.0958; 22.50605; 90; 100.782; 90;

COD ID: 1548117

Formula: - C16 H12 Br2 Cd N4 O2 -
Comments: 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 5(1) (2018)
Space group: I 1 2/a 1
Cell volume: 1706.04
Cell parameters: 18.259; 3.867; 24.2737; 90; 95.491; 90;

COD ID: 1548118

Formula: - C16 H12 Cd I2 N4 O2 -
Comments: 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 5(1) (2018)
Space group: I 1 2/a 1
Cell volume: 1823.15
Cell parameters: 19.7099; 6.8535; 13.631; 90; 98.052; 90;

COD ID: 1548716

Formula: - C18 H18 O -
Comments: 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 357 (2015) 2301-2309
Space group: I 1 2/a 1
Cell volume: 2714.1
Cell parameters: 18.2502; 5.8703; 25.807; 90; 100.988; 90;

COD ID: 1548758
CIF file	Formula: - C46.5 H56 F4 N3 Zn - Comments: 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 9(8) (2018) 2348-2356 Space group: I 1 2/a 1 Cell volume: 8722.1 Cell parameters: 15.6052; 24.2499; 23.5838; 90; 102.23; 90;

COD ID: 1548760
CIF file	Formula: - C65 H99 Al Mg N4 - Comments: 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 9(8) (2018) 2348-2356 Space group: I 1 2/a 1 Cell volume: 12638.5 Cell parameters: 21.9257; 15.7003; 37.0659; 90; 97.8995; 90;

COD ID: 1548798
CIF file HKL data	Formula: - C22 H29 Br N4 Se2 - Comments: 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 2(12) (2017) x171746 Space group: I 1 2/a 1 Cell volume: 4747.8 Cell parameters: 23.767; 5.1425; 39.806; 90; 102.61; 90;

COD ID: 1548889

Formula: - C6 Cl3 N9 -
Comments: Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter 2,6,10-Trichlorotris[1,2,4]triazolo[1,5-a:1',5'-c:1'',5''-e][1,3,5]triazine IUCrData 3(2) (2018) x180212
Space group: I 1 2/a 1
Cell volume: 6580.9
Cell parameters: 22.2914; 14.1339; 23.1869; 90; 115.732; 90;

COD ID: 1549045
CIF file	Formula: - C40 H66 Cl2 N10 O16 - Comments: 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 9(15) (2018) 3716-3722 Space group: I 1 2/a 1 Cell volume: 4911.6 Cell parameters: 15.1489; 13.2904; 24.594; 90; 97.293; 90;

COD ID: 1549094

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2257.3
Cell parameters: 7.7604; 5.9132; 49.45; 90; 95.879; 90;

COD ID: 1549095

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2264
Cell parameters: 7.856; 5.8413; 49.561; 90; 95.46; 90;

COD ID: 1549096

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2303.4
Cell parameters: 8.0891; 5.7282; 49.849; 90; 94.255; 90;

COD ID: 1549097

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2285.5
Cell parameters: 7.9306; 5.8288; 49.645; 90; 95.171; 90;

COD ID: 1549098

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2291.2
Cell parameters: 7.9631; 5.8073; 49.723; 90; 94.85; 90;

COD ID: 1549099

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2353.5
Cell parameters: 8.3546; 5.6236; 50.168; 90; 93.146; 90;

COD ID: 1549100

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2299.3
Cell parameters: 8.0248; 5.7688; 49.827; 90; 94.591; 90;

COD ID: 1549101

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2369.48
Cell parameters: 8.446; 5.58942; 50.2534; 90; 92.829; 90;

COD ID: 1549102

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2262.7
Cell parameters: 7.8186; 5.8811; 49.458; 90; 95.762; 90;

COD ID: 1549103

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2311.5
Cell parameters: 8.1615; 5.6918; 49.87; 90; 93.819; 90;

COD ID: 1549104

Formula: - C26 H32 O2 S2 -
Comments: 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 9(16) (2018) 3948-3956
Space group: I 1 2/a 1
Cell volume: 2328
Cell parameters: 8.2606; 5.6541; 49.944; 90; 93.621; 90;

COD ID: 1549397

Formula: - C24 H36 N2 S Si -
Comments: 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 9(20) (2018) 2759
Space group: I 1 2/a 1
Cell volume: 5115
Cell parameters: 24.712; 8.4842; 24.907; 90; 101.616; 90;

COD ID: 1549884

Formula: - C65 H63 N11 O13 -
Comments: Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M3L2 Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science 9(42) (2018) 8150-8159
Space group: I 1 2/a 1
Cell volume: 12384.3
Cell parameters: 35.5103; 9.6091; 37.3391; 90; 103.589; 90;

COD ID: 1549940
CIF file	Formula: - C15 H11 F O2 - Comments: Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science 9(46) (2018) 8692-8702 Space group: I 1 2/a 1 Cell volume: 1129.15 Cell parameters: 13.2572; 5.1221; 16.7741; 90; 97.5575; 90;

COD ID: 1550059
CIF file	Formula: - C38 H62 Mg N4 O2 - Comments: 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 9(44) (2018) 5339 Space group: I 1 2/a 1 Cell volume: 7715.22 Cell parameters: 17.113; 15.0517; 29.9562; 90; 90.872; 90;

COD ID: 1550063
CIF file	Formula: - C38 H62 N4 O2 Zn - Comments: 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 9(44) (2018) 5339 Space group: I 1 2/a 1 Cell volume: 7710.6 Cell parameters: 17.0865; 15.0333; 30.0246; 90; 91.193; 90;

COD ID: 1550226
CIF file	Formula: - C28 H46 Cl2 In K N2 O Si2 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 6836.1 Cell parameters: 18.8952; 13.1861; 27.8641; 90; 100.042; 90;

COD ID: 1550227
CIF file	Formula: - C31 H49 Cl2 In K N2 O Si2 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 7272.86 Cell parameters: 18.7078; 13.15883; 30.1739; 90; 101.73; 90;

COD ID: 1550229
CIF file	Formula: - C59 H99 In2 K2 N4 O2 Si4 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 13913.9 Cell parameters: 23.2852; 17.27697; 36.472; 90; 108.506; 90;

COD ID: 1550255
CIF file	Formula: - C14 H21 B N2 O2 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 2857.09 Cell parameters: 22.1499; 7.8915; 17.5288; 90; 111.175; 90;

COD ID: 1550934

Formula: - C32 H48 Cl2 Ir2 N4 O4 Si4 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 8209.6
Cell parameters: 17.8492; 10.6328; 43.5137; 90; 96.227; 90;

COD ID: 1551241

Formula: - C26 H20 B2 F8 Fe N8 -
Comments: 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 43(25) (2019) 9776
Space group: I 1 2/a 1
Cell volume: 3432.1
Cell parameters: 16.375; 12.327; 17.399; 90; 102.25; 90;

COD ID: 1551589
CIF file	Formula: - C28 H26 Cl N6 O3.5 Ru - Comments: TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride X-ray Structure Analysis Online 33 (2017) 11 Space group: I 1 2/a 1 Cell volume: 5461.27 Cell parameters: 15.4085; 13.0737; 27.383; 90; 98.0922; 90;

COD ID: 1552107
CIF file	Formula: - C45 H31 Cl N4 Zn - Comments: 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) Space group: I 1 2/a 1 Cell volume: 7752.2 Cell parameters: 18.7682; 13.7292; 31.4518; 90; 106.951; 90;

COD ID: 1552189

Formula: - C52 H144 N8 Si12 U2 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 24839.8
Cell parameters: 27.5312; 21.7757; 43.5129; 90; 107.785; 90;

COD ID: 1552250

Formula: - C30 H24 Cl N O2 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 4925.17
Cell parameters: 18.3331; 14.0402; 20.1069; 90; 107.894; 90;

COD ID: 1552296

Formula: - C26 H22 N2 O2 -
Comments: 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 6(6) (2019)
Space group: I 1 2/a 1
Cell volume: 8610.8
Cell parameters: 19.7244; 12.392; 35.75; 90; 99.796; 90;

COD ID: 1552485

Formula: - C20 H23 N3 O3 -
Comments: 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 67(43) (2019) 11901-11910
Space group: I 1 2/a 1
Cell volume: 3588.3
Cell parameters: 14.0408; 15.4293; 16.5882; 90; 93.136; 90;

COD ID: 1552742

Formula: - C50 H28 -
Comments: 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 123(35) (2019) 7558
Space group: I 1 2/a 1
Cell volume: 3328.99
Cell parameters: 18.9506; 5.3187; 33.0475; 90; 91.961; 90;

COD ID: 1552749

Formula: - C24 H26 Br Co N3 O7 S -
Comments: 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 12(1) (2020) 92-103
Space group: I 1 2/a 1
Cell volume: 5282.5
Cell parameters: 15.5234; 19.2687; 19.1761; 90; 112.933; 90;

COD ID: 1552855
CIF file	Formula: - C24 H32 N2 O3 S Si - Comments: Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science 11(2) (2020) 389-395 Space group: I 1 2/a 1 Cell volume: 4768.29 Cell parameters: 14.4384; 16.0496; 20.713; 90; 96.573; 90;

COD ID: 1552856
CIF file	Formula: - C38 H36 N4 O12 Rh2 S2 - Comments: Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science 11(2) (2020) 389-395 Space group: I 1 2/a 1 Cell volume: 4050.6 Cell parameters: 17.4067; 10.6112; 22.164; 90; 98.333; 90;

COD ID: 1552921

Formula: - C8 H7 N2 O2.5 S -
Comments: Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich 5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione hemihydrate IUCrData 4(11) (2019) x191532
Space group: I 1 2/a 1
Cell volume: 1714.4
Cell parameters: 16.3881; 4.6912; 22.4928; 90; 97.512; 90;

COD ID: 1553230
CIF file	Formula: - C20 H15 N3 O3 - Comments: 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 3(5) (2016) 561 Space group: I 1 2/a 1 Cell volume: 3258 Cell parameters: 13.6461; 10.723; 22.268; 90; 90.915; 90;

COD ID: 1553332

Formula: - C H O -
Comments: 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 81(6) (2018) 1376-1383
Space group: I 1 2/a 1
Cell volume: 5393.91
Cell parameters: 27.9933; 9.57267; 22.8556; 90; 118.274; 90;

COD ID: 1553465
CIF file	Formula: - C16 H16 B N3 O2 - Comments: 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 3(8) (2016) 918 Space group: I 1 2/a 1 Cell volume: 2926.05 Cell parameters: 25.856; 5.37038; 21.5154; 90; 101.646; 90;

COD ID: 1553709
CIF file	Formula: - C60 H24 F12 O12 - Comments: Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu Sterically crowded hydrogen-bonded hexagonal network frameworks Materials Chemistry Frontiers 2(2) (2018) 338 Space group: I 1 2/a 1 Cell volume: 8586.4 Cell parameters: 12.2591; 38.9347; 18.0305; 90; 93.869; 90;

COD ID: 1553710
CIF file	Formula: - C80 H68 O14 - Comments: Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu Sterically crowded hydrogen-bonded hexagonal network frameworks Materials Chemistry Frontiers 2(2) (2018) 338 Space group: I 1 2/a 1 Cell volume: 18568.9 Cell parameters: 27.8455; 22.4501; 29.8331; 90; 95.3352; 90;

COD ID: 1553825

Formula: - C18 H22 O5 -
Comments: 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 4(11) (2017) 2109
Space group: I 1 2/a 1
Cell volume: 3246.2
Cell parameters: 9.6871; 14.029; 23.8866; 90; 90.258; 90;

COD ID: 1554027

Formula: - C18 H15 Bi -
Comments: 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 120(33) (2016) 6650-6669
Space group: I 1 2/a 1
Cell volume: 2884.16
Cell parameters: 26.5617; 5.7076; 20.2096; 90; 109.72; 90;

COD ID: 1554146

Formula: - C22 H23 N O2 -
Comments: 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 123(37) (2019) 23124
Space group: I 1 2/a 1
Cell volume: 3350
Cell parameters: 14.715; 13.139; 17.882; 90; 104.31; 90;

COD ID: 1554606

Formula: - C57 H57 Cl N11 O2 U Zn -
Comments: 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 10(42) (2019) 9740
Space group: I 1 2/a 1
Cell volume: 15979.9
Cell parameters: 28.7327; 22.93; 24.8036; 90; 102.077; 90;

COD ID: 1554608

Formula: - C87 H87 Cl Mg N17 O2 U -
Comments: 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 10(42) (2019) 9740
Space group: I 1 2/a 1
Cell volume: 16073
Cell parameters: 24.852; 23.01; 28.754; 90; 102.183; 90;

COD ID: 1554846
CIF file	Formula: - C34 H49 F12 N7 O4 P2 - Comments: Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David Stable dicationic dioxoliums and fate of their dioxolyl radicals Organic Chemistry Frontiers 6(18) (2019) 3184 Space group: I 1 2/a 1 Cell volume: 4216.5 Cell parameters: 24.915; 8.8562; 19.8464; 90; 105.666; 90;

COD ID: 1556407

Formula: - C9 H7 N O2 -
Comments: Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge 1-Nitro-4-(1-propyn-1-yl)benzene IUCrData 4(11) (2019) x191585
Space group: I 1 2/a 1
Cell volume: 769.6
Cell parameters: 7.3633; 12.0641; 8.9185; 90; 103.738; 90;

COD ID: 1556425
CIF file	Formula: - C20 H34 Cl2 Cu N4 O12 S2 - Comments: Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L. Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers Inorganics 7 (2019) 103 Space group: I 1 2/a 1 Cell volume: 3204.8 Cell parameters: 17.9524; 11.0913; 16.3512; 90; 100.154; 90;

COD ID: 1556466

Formula: - C32 H28 Br O8 Ru2 -
Comments: 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 2 (2014) 524-536
Space group: I 1 2/a 1
Cell volume: 3280
Cell parameters: 12.9939; 10.1996; 24.8297; 90; 94.623; 90;

COD ID: 1556767

Formula: - C11 H9 N O6 -
Comments: 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 2(Pt 3) (2015) 341-351
Space group: I 1 2/a 1
Cell volume: 2167.41
Cell parameters: 12.5506; 6.6807; 26.1586; 90; 98.815; 90;

COD ID: 1556900

Formula: - C62 H79 Cl2 N5 O6 Pt S -
Comments: 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 11(7) (2020) 1839-1847
Space group: I 1 2/a 1
Cell volume: 12501.4
Cell parameters: 26.7934; 12.4321; 39.1414; 90; 106.494; 90;

COD ID: 1557105
CIF file	Formula: - C104 H96 B4 F16 N8 O4 Pd2 - Comments: Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science 11(3) (2020) 677-683 Space group: I 1 2/a 1 Cell volume: 9660.2 Cell parameters: 28.36; 12.35285; 27.666; 90; 94.6541; 90;

COD ID: 1557207
CIF file	Formula: - C19 H29 N3 O2 - Comments: 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 11(10) (2020) 2707-2715 Space group: I 1 2/a 1 Cell volume: 3904 Cell parameters: 17.03; 10.58; 22.26; 90; 103.23; 90;

COD ID: 1557315

Formula: - C6 H12 F N0.5 Na0.5 O5 S2.5 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 2275.79
Cell parameters: 11.9451; 11.9286; 16.2807; 90; 101.179; 90;

COD ID: 1557444

Formula: - C31 H35 F6 N5 Ni O2 P -
Comments: 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 11(6) (2020) 1683-1690
Space group: I 1 2/a 1
Cell volume: 3156
Cell parameters: 22.4997; 8.4913; 17.7726; 90; 111.646; 90;

COD ID: 1557514
CIF file	Formula: - C7 H3 K N O4 - Comments: 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 12(14) (2020) 7870-7874 Space group: I 1 2/a 1 Cell volume: 739.74 Cell parameters: 7.0581; 11.6424; 9.2407; 90; 103.046; 90;

COD ID: 1557940
CIF file	Formula: - Al8 Ca4 H36 O50 Si8 - Comments: Wadoski-Romeijn, E.; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure American Mineralogist 98 (2013) 1988-1997 Space group: I 1 2/a 1 Cell volume: 1000.2 Cell parameters: 9.79; 10.437; 9.79; 90; 90.97; 90;

COD ID: 1557941
CIF file	Formula: - Al8 Ca4 H36 O50 Si8 - Comments: Wadoski-Romeijn, E.; Armbruster, T. Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure American Mineralogist 98 (2013) 1988-1997 Space group: I 1 2/a 1 Cell volume: 827.1 Cell parameters: 9.434; 9.044; 9.695; 90; 89.04; 90;

COD ID: 1558125

Formula: - C23 H21 F6 N3 O4 S4 -
Comments: 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 11(24) (2020) 6121-6133
Space group: I 1 2/a 1
Cell volume: 5385.48
Cell parameters: 14.7979; 21.9313; 18.008; 90; 112.854; 90;

COD ID: 1558370
CIF file	Formula: - C36 H28 B2 Br2 N2 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 6190.7 Cell parameters: 18.504; 17.9348; 19.6933; 90; 108.694; 90;

COD ID: 1558479
CIF file	Formula: - C15 H12 Cl N O3 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 2590.8 Cell parameters: 17.4699; 6.8917; 22.137; 90; 103.57; 90;

COD ID: 1558612

Formula: - C23 H21 Cl O7 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 2047
Cell parameters: 9.04; 16.15; 14.32; 90; 101.67; 90;

COD ID: 1558745

Formula: - C23 H31 N3 O4 -
Comments: 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 124(28) (2020) 15565-15573
Space group: I 1 2/a 1
Cell volume: 4451
Cell parameters: 10.072; 10.703; 41.298; 90; 90.973; 90;

COD ID: 1559284

Formula: - C48 H48 F5 N4 Ni -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 4239.65
Cell parameters: 17.3579; 13.3131; 19.0795; 90; 105.933; 90;

COD ID: 1559593

Formula: - C22 H13 Au2 Fe N7 O2 -
Comments: 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 12(4) (2020) 1317-1326
Space group: I 1 2/a 1
Cell volume: 4815.54
Cell parameters: 14.1982; 22.6765; 14.9567; 90; 90.0258; 90;

COD ID: 1559636

Formula: - C32 H33 N3 O2 S -
Comments: Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines vs. triazocines via α-imino carbenes addition to imidazolidines. Chemical science 12(4) (2020) 1479-1485
Space group: I 1 2/a 1
Cell volume: 5444.54
Cell parameters: 18.90952; 10.14583; 28.4275; 90; 93.3559; 90;

COD ID: 1560138
CIF file	Formula: - C16 H14 N2 O4 - Comments: Park, Hyunchang; Lee, Dongwhan Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base. Chemical science 12(2) (2020) 590-598 Space group: I 1 2/a 1 Cell volume: 2821.46 Cell parameters: 17.4514; 4.6477; 35.608; 90; 102.334; 90;

COD ID: 1560194

Formula: - Ca O8 Te3 -
Comments: 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 83 (2019) 439-549
Space group: I 1 2/a 1
Cell volume: 642.98
Cell parameters: 9.9866; 5.67205; 12.2351; 90; 111.913; 90;

COD ID: 1561204

Formula: - C252 H148 N42 O57 Tb7 -
Comments: 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 259 (2018) 98-103
Space group: I 1 2/a 1
Cell volume: 47185
Cell parameters: 25.6264; 39.0611; 48.407; 90; 103.147; 90;

COD ID: 1562839
CIF file	Formula: - C92 H169.6 N16 S8 Zn8 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 14204.4 Cell parameters: 27.1708; 8.98003; 58.2262; 90; 91.0722; 90;

COD ID: 1563142

Formula: - C48 H100 K N7 O6 Si6 U -
Comments: 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 12(17) (2021) 6153-6158
Space group: I 1 2/a 1
Cell volume: 12951.7
Cell parameters: 22.6297; 23.9733; 23.9063; 90; 92.9909; 90;

COD ID: 1563504
CIF file	Formula: - C7 H5 F In N O5 - Comments: 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 183(10) (2010) 2406-2410 Space group: I 1 2/a 1 Cell volume: 1770.6 Cell parameters: 12.929; 7.8554; 17.74; 90; 100.66; 90;

COD ID: 1563671

Formula: - C108 H72 Cl6 O12 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 15216.2
Cell parameters: 9.3082; 53.691; 30.7096; 90; 97.504; 90;

COD ID: 1563852

Formula: - C48 H58 Br Cu2 N10 O14 Sm -
Comments: 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 483 (2018) 299-304
Space group: I 1 2/a 1
Cell volume: 5663.2
Cell parameters: 18.971; 15.5933; 19.549; 90; 101.681; 90;

COD ID: 1563853

Formula: - C48 H58 Br Cu2 Eu N10 O14 -
Comments: 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 483 (2018) 299-304
Space group: I 1 2/a 1
Cell volume: 5627
Cell parameters: 18.972; 15.53; 19.512; 90; 101.8; 90;

COD ID: 1563854

Formula: - C48 H58 Br Cu2 Gd N10 O14 -
Comments: 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 483 (2018) 299-304
Space group: I 1 2/a 1
Cell volume: 5593
Cell parameters: 18.95; 15.55; 19.36; 90; 101.39; 90;

COD ID: 1563856

Formula: - C48 H58 Br Cu2 Dy N10 O14 -
Comments: 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 483 (2018) 299-304
Space group: I 1 2/a 1
Cell volume: 5616
Cell parameters: 18.968; 15.522; 19.472; 90; 101.58; 90;

COD ID: 1564073

Formula: - C80 H74 F4 N8 O2 S3 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 7629.87
Cell parameters: 9.93013; 33.0819; 23.3061; 90; 94.7559; 90;

COD ID: 1564114

Formula: - C28 H24 Cl12 Cu2 N4 O18 -
Comments: 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 512 (2020) 119890
Space group: I 1 2/a 1
Cell volume: 4392.5
Cell parameters: 19.2945; 6.0859; 37.7878; 90; 98.136; 90;

COD ID: 1564312
CIF file	Formula: - C34.12 H38.25 Cl1.25 N3 O3 Pd - Comments: Dong, Jie; Wang, Baiquan Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm Polymer Chemistry 12(32) (2021) 4736-4747 Space group: I 1 2/a 1 Cell volume: 6367 Cell parameters: 18.1028; 14.4854; 24.8028; 90; 101.78; 90;

COD ID: 1564344

Formula: - C36 H25 Br Cu N3 O7 -
Comments: 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 146(17) (2021) 5230-5235
Space group: I 1 2/a 1
Cell volume: 6721.5
Cell parameters: 30.0915; 7.7107; 32.6089; 90; 117.332; 90;

COD ID: 1564791

Formula: - C15 H16 N O1.5 -
Comments: Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou (3E)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate IUCrData 6(9) (2021) x210989
Space group: I 1 2/a 1
Cell volume: 2574.8
Cell parameters: 17.1405; 8.3052; 18.5156; 90; 102.347; 90;

COD ID: 1564849

Formula: - C22 H24 Cu N2 O8 S2 -
Comments: 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 9(9) (2021) 69
Space group: I 1 2/a 1
Cell volume: 4878.2
Cell parameters: 11.5109; 21.0713; 20.3473; 90; 98.719; 90;

COD ID: 1564895

Formula: - C42 H30 N6 O4 Os P -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 7624.9
Cell parameters: 31.9083; 7.4874; 32.008; 90; 94.356; 90;

COD ID: 1565093

Formula: - C40 H26 -
Comments: 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 8(12) (2021) 3449-3456
Space group: I 1 2/a 1
Cell volume: 5389.57
Cell parameters: 18.9032; 7.449; 38.5591; 90; 96.953; 90;

COD ID: 1565094

Formula: - C40.4 H27.2 O0.2 -
Comments: 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 8(12) (2021) 3449-3456
Space group: I 1 2/a 1
Cell volume: 5437.1
Cell parameters: 18.8241; 7.5014; 38.7559; 90; 96.531; 90;

COD ID: 1565095

Formula: - C40.4 H27.2 O0.2 -
Comments: 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 8(12) (2021) 3449-3456
Space group: I 1 2/a 1
Cell volume: 5437.2
Cell parameters: 18.8388; 7.4948; 38.7701; 90; 96.653; 90;

COD ID: 1565096

Formula: - C40.4 H27.2 O0.2 -
Comments: 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 8(12) (2021) 3449-3456
Space group: I 1 2/a 1
Cell volume: 5435.03
Cell parameters: 18.8286; 7.498; 38.7615; 90; 96.684; 90;

COD ID: 1565238

Formula: - C94 H74 Mn5 N24 O12 -
Comments: 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 504 (2020) 119438
Space group: I 1 2/a 1
Cell volume: 9052.3
Cell parameters: 22.7117; 14.5551; 27.4; 90; 91.973; 90;

COD ID: 1565534
CIF file	Formula: - C14 H8 Cu N6 S8 - Comments: 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 21(22) (2021) 9746-9753 Space group: I 1 2/a 1 Cell volume: 1990.7 Cell parameters: 10.3099; 13.9369; 13.8855; 90; 93.83; 90;

COD ID: 1565535
CIF file	Formula: - C16 H16 N4 O2 - Comments: 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 502 (2020) 119361 Space group: I 1 2/a 1 Cell volume: 1485.6 Cell parameters: 8.5718; 13.3508; 13.009; 90; 93.729; 90;

COD ID: 1565800

Formula: - C21 H18 Ag N O5 -
Comments: 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 498 (2019) 119167
Space group: I 1 2/a 1
Cell volume: 4230.6
Cell parameters: 8.3073; 11.9213; 42.89; 90; 95.119; 90;

COD ID: 1566158
CIF file	Formula: - C31 H52 Al B Br4 N4 - Comments: 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 13(8) (2022) 2303-2309 Space group: I 1 2/a 1 Cell volume: 7762.9 Cell parameters: 11.781; 15.9628; 41.3531; 90; 93.4263; 90;

COD ID: 1566245

Formula: - C342 H236 Bi38 N4 O178 Ti16 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 53751.6
Cell parameters: 25.2403; 43.6932; 49.0721; 90; 96.672; 90;

COD ID: 1566299

Formula: - C16 H18 O4 -
Comments: 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 Hibiscus tiliaceus. Journal of natural products 85(1) (2022) 127-135
Space group: I 1 2/a 1
Cell volume: 2811.1
Cell parameters: 15.851; 9.869; 17.994; 90; 92.952; 90;

COD ID: 1566383
CIF file	Formula: - C46 H42 B2 F8 Fe N14 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 4674.11 Cell parameters: 22.0537; 9.5781; 22.3969; 90; 98.891; 90;

COD ID: 1566890
CIF file	Formula: - C68 H80 Al2 N4 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 5815.14 Cell parameters: 16.9198; 22.2833; 17.4576; 90; 117.934; 90;

COD ID: 1566897

Formula: - C59.42 H70.28 B N3 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 10148.8
Cell parameters: 21.747; 19.582; 23.834; 90; 90.748; 90;

COD ID: 1566943
CIF file	Formula: - C109 H177 O6 Tm3 - Comments: Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization Chemical Science (2022) Space group: I 1 2/a 1 Cell volume: 21166 Cell parameters: 29.457; 16.1306; 46.333; 90; 105.969; 90;

COD ID: 1567099

Formula: - C22 H19 N3 O -
Comments: 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 13(27) (2022) 8080-8087
Space group: I 1 2/a 1
Cell volume: 3623.5
Cell parameters: 21.1606; 7.1694; 25.5604; 90; 110.862; 90;

COD ID: 1567113

Formula: - C57 H53 Ag5 F9 N17 O9 S3 -
Comments: Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang Pyridine dicarbanion-bonded Ag13 organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. Chemical science 13(27) (2022) 8095-8103
Space group: I 1 2/a 1
Cell volume: 15736.7
Cell parameters: 25.7535; 24.5293; 24.9163; 90; 91.174; 90;

COD ID: 1567141

Formula: - C12 H16 N4 Ni O4 S -
Comments: 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 46(31) (2022) 14786-14792
Space group: I 1 2/a 1
Cell volume: 1489.3
Cell parameters: 23.012; 6.0848; 10.6386; 90; 91.194; 90;

COD ID: 1567284

Formula: - C30 H40 Cu F6 N8 P -
Comments: 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 13(28) (2022) 8274-8288
Space group: I 1 2/a 1
Cell volume: 9752
Cell parameters: 22.442; 10.441; 41.64; 90; 91.84; 90;

COD ID: 1567287

Formula: - C31 H40 Cu F3 N8 O3 S -
Comments: 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 13(28) (2022) 8274-8288
Space group: I 1 2/a 1
Cell volume: 10320
Cell parameters: 22.769; 10.613; 42.709; 90; 90.75; 90;

COD ID: 1567467
CIF file	Formula: - C79 H55.5 B Cl2 F20 N3 O3 - Comments: 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) Space group: I 1 2/a 1 Cell volume: 14585.7 Cell parameters: 32.5289; 13.8777; 32.5269; 90; 96.618; 90;

COD ID: 1567553

Formula: - C44 H114 N10 Si12 U2 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 7958.4
Cell parameters: 24.4164; 11.4199; 29.7959; 90; 106.683; 90;

COD ID: 1567555

Formula: - C62 H150 K N12 O6 Si12 U2 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 10221.3
Cell parameters: 29.9688; 11.6805; 32.306; 90; 115.332; 90;

COD ID: 1567582
CIF file	Formula: - C57 H84 F3 N2 O4.5 S - Comments: 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 13(33) (2022) 9755-9760 Space group: I 1 2/a 1 Cell volume: 10782.1 Cell parameters: 17.3378; 16.0403; 38.924; 90; 95.096; 90;

COD ID: 1567652

Formula: - C29.5 H31 Cl N2 -
Comments: 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 13(37) (2022) 11246-11251
Space group: I 1 2/a 1
Cell volume: 5079.32
Cell parameters: 22.0567; 7.5133; 32.5379; 90; 109.612; 90;

COD ID: 1567655

Formula: - C24 H28 Br4 N4 O4 -
Comments: 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 13(39) (2022) 11551-11559
Space group: I 1 2/a 1
Cell volume: 2870.4
Cell parameters: 20.6359; 5.1809; 27.7349; 90; 104.528; 90;

COD ID: 1567805

Formula: - C35 H56 F9 N6 O9 S3 -
Comments: 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 13(42) (2022) 12533-12539
Space group: I 1 2/a 1
Cell volume: 4461.5
Cell parameters: 11.2729; 20.2466; 19.5699; 90; 92.742; 90;

COD ID: 1568097

Formula: - C9 H5 Cl N O6 Re -
Comments: 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 14(3) (2023) 711-720
Space group: I 1 2/a 1
Cell volume: 2275.39
Cell parameters: 9.3367; 11.1259; 22.22; 90; 99.672; 90;

COD ID: 1568101

Formula: - C10 H8 N O6 Re -
Comments: 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 14(3) (2023) 711-720
Space group: I 1 2/a 1
Cell volume: 2270.73
Cell parameters: 9.2924; 11.1464; 22.2675; 90; 100.09; 90;

COD ID: 1568102

Formula: - C20 H18 N2 O13 Re2 -
Comments: 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 14(3) (2023) 711-720
Space group: I 1 2/a 1
Cell volume: 4934.72
Cell parameters: 22.7527; 10.614; 21.7337; 90; 109.916; 90;

COD ID: 1568111

Formula: - C10 H10 N O8 Re -
Comments: 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 14(3) (2023) 711-720
Space group: I 1 2/a 1
Cell volume: 2606.4
Cell parameters: 8.8821; 11.136; 26.399; 90; 93.457; 90;

COD ID: 1568116

Formula: - C10 H10 N O7 Re -
Comments: 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 14(3) (2023) 711-720
Space group: I 1 2/a 1
Cell volume: 2518.63
Cell parameters: 9.1881; 11.0679; 25.0097; 90; 97.989; 90;

COD ID: 1568119

Formula: - C9 H7 F N O7 Re -
Comments: 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 14(3) (2023) 711-720
Space group: I 1 2/a 1
Cell volume: 2401.85
Cell parameters: 9.0438; 11.1598; 23.9385; 90; 96.213; 90;

COD ID: 1568202
CIF file	Formula: - C29 H52 N4 O6 - Comments: 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 14(5) (2023) 1194-1204 Space group: I 1 2/a 1 Cell volume: 6388.8 Cell parameters: 25.8831; 5.6524; 43.78; 90; 94.085; 90;

COD ID: 1568352
CIF file	Formula: - C34 H34 N6 O2 Sn2 - Comments: Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja Excited state energy landscape of phosphorescent group 14 complexes. Chemical science 14(10) (2023) 2489-2500 Space group: I 1 2/a 1 Cell volume: 3050.6 Cell parameters: 15.389; 8.8015; 23.005; 90; 101.75; 90;

COD ID: 1568599

Formula: - C12 H9 N5 -
Comments: 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(1) (2023) M1598
Space group: I 1 2/a 1
Cell volume: 2095.29
Cell parameters: 20.845; 4.6353; 22.7163; 90; 107.329; 90;

COD ID: 1568820

Formula: - C13 H13 N O -
Comments: 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 15(25) (2023) 10573-10583
Space group: I 1 2/a 1
Cell volume: 2258.13
Cell parameters: 16.2725; 5.9701; 23.8665; 90; 103.114; 90;

COD ID: 1569030

Formula: - C7 H4 Gd K4 N7 O6 S7 -
Comments: 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 5(2) (2023) 987-995
Space group: I 1 2/a 1
Cell volume: 2759.15
Cell parameters: 20.0701; 6.4604; 22.2814; 90; 107.245; 90;

COD ID: 1569031

Formula: - C7 H4 Dy K4 N7 O6 S7 -
Comments: 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 5(2) (2023) 987-995
Space group: I 1 2/a 1
Cell volume: 2747.58
Cell parameters: 20.0808; 6.4405; 22.2609; 90; 107.379; 90;

COD ID: 1569032
CIF file	Formula: - C7 H4 K4 N7 O6 S7 Tb - Comments: 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 5(2) (2023) 987-995 Space group: I 1 2/a 1 Cell volume: 2750.28 Cell parameters: 20.0705; 6.4492; 22.255; 90; 107.304; 90;

COD ID: 1569125

Formula: - C103 H111 Ag3 Au6 B5 F20 N21 -
Comments: 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 14(23) (2023) 6207-6215
Space group: I 1 2/a 1
Cell volume: 26537.9
Cell parameters: 28.2746; 33.2019; 29.4805; 90; 106.484; 90;

COD ID: 1569126

Formula: - C123 H109 Ag4 Au6 B6 Cl4 F24 N27 -
Comments: 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 14(23) (2023) 6207-6215
Space group: I 1 2/a 1
Cell volume: 27054.1
Cell parameters: 35.541; 15.07664; 50.5683; 90; 93.2056; 90;

COD ID: 1569162

Formula: - C58 H63 Br N4 O4 -
Comments: 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 sp3 C-H bonds. Chemical science 14(29) (2023) 7867-7874
Space group: I 1 2/a 1
Cell volume: 11587.7
Cell parameters: 14.8971; 23.3372; 33.3618; 90; 92.469; 90;

COD ID: 1569168
CIF file	Formula: - C31 H51 Al K N3 O1.5 Si2 - Comments: 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 14(23) (2023) 6278-6288 Space group: I 1 2/a 1 Cell volume: 7105.83 Cell parameters: 18.16775; 13.05007; 30.7237; 90; 102.709; 90;

COD ID: 1569369

Formula: - C28 H15 N O2 -
Comments: 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 via a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs. Materials horizons 10(9) (2023) 3785-3790
Space group: I 1 2/a 1
Cell volume: 1905.57
Cell parameters: 15.167; 10.9238; 11.5354; 90; 94.397; 90;

COD ID: 1569480

Formula: - C29.5 H28 N2 O4.5 S -
Comments: Zhang, Pengfei; Jiang, Zhiwei; Fan, Zhoulong; Li, Guoshuai; Ma, Qingxue; Huang, Jun; Tang, Jinghong; Xu, Xiaohua; Yu, Jin-Quan; Jin, Zhong Macrocyclization via remote meta-selective C-H olefination using a practical indolyl template. Chemical science 14(31) (2023) 8279-8287
Space group: I 1 2/a 1
Cell volume: 5227.8
Cell parameters: 21.8311; 8.2255; 29.1754; 90; 93.759; 90;

COD ID: 1569489
CIF file	Formula: - C28 H16 F8 O4 - Comments: 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 14(31) (2023) 8393-8400 Space group: I 1 2/a 1 Cell volume: 4626 Cell parameters: 17.2008; 8.132; 33.0797; 90; 91.243; 90;

COD ID: 1569669

Formula: - C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -
Comments: 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 Au5Ag11. Nanoscale 15(33) (2023) 13784-13789
Space group: I 1 2/a 1
Cell volume: 42579.2
Cell parameters: 28.0881; 18.3857; 82.4807; 90; 91.541; 90;

COD ID: 1569890

Formula: - C16 H24 Cl2 Fe N6 -
Comments: 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 13(20) (2023) 6006-6021
Space group: I 1 2/a 1
Cell volume: 5914
Cell parameters: 17.306; 9.454; 36.444; 90; 97.32; 90;

COD ID: 1569989

Formula: - C34 H26 N2 S2 -
Comments: 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 10(6) (2023)
Space group: I 1 2/a 1
Cell volume: 2647.5
Cell parameters: 9.8916; 25.9653; 10.937; 90; 109.525; 90;

COD ID: 1570006

Formula: - C76 H56 N4 O4 S4 Zn2 -
Comments: 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 10(6) (2023)
Space group: I 1 2/a 1
Cell volume: 8005.1
Cell parameters: 20.2935; 16.6798; 25.1409; 90; 109.835; 90;

COD ID: 1570017
CIF file	Formula: - C17 H23 N O2 - Comments: Just, David; Gonçalves, Carlos R; Vezonik, Uroš; Kaiser, Daniel; Maulide, Nuno General acid-mediated aminolactone formation using unactivated alkenes. Chemical science 14(39) (2023) 10806-10811 Space group: I 1 2/a 1 Cell volume: 2937.4 Cell parameters: 14.635; 10.097; 20.471; 90; 103.824; 90;

COD ID: 1570264
CIF file	Formula: - C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 - Comments: Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Dinitrogen cleavage by a dinuclear uranium(iii) complex. Chemical science 14(46) (2023) 13485-13494 Space group: I 1 2/a 1 Cell volume: 14837.3 Cell parameters: 18.1765; 24.9651; 32.6981; 90; 90.4373; 90;

COD ID: 1570443
CIF file	Formula: - C4 H10 O - Comments: 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 11(Pt 1) (2024) 57-61 Space group: I 1 2/a 1 Cell volume: 416.08 Cell parameters: 7.7073; 4.0885; 13.233; 90; 93.793; 90;

COD ID: 1570492
CIF file	Formula: - C92 H96 Fe6 In13 N6 O46 - Comments: Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian Aggregate assembly of ferrocene functionalized indium-oxo clusters. Chemical science 15(2) (2024) 726-735 Space group: I 1 2/a 1 Cell volume: 13070.1 Cell parameters: 27.37206; 15.00755; 31.8968; 90; 94.0511; 90;

COD ID: 1570527

Formula: - C30 H31 B F4 Mn N5 O3 -
Comments: 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 via intermolecular bimetallic cooperation. Chemical science 15(4) (2024) 1409-1417
Space group: I 1 2/a 1
Cell volume: 6287.04
Cell parameters: 23.6994; 8.0465; 33.4683; 90; 99.912; 90;

COD ID: 1570561

Formula: - C12 H26 N2 Ni O12 S2 -
Comments: 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 8(12) (2023)
Space group: I 1 2/a 1
Cell volume: 1986.44
Cell parameters: 15.4103; 10.1338; 13.4284; 90; 108.692; 90;

COD ID: 1570568
CIF file	Formula: - Dy2 O5 Si - Comments: 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 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 863.89 Cell parameters: 10.4642; 6.74981; 12.5396; 90; 102.739; 90;

COD ID: 1570569
CIF file	Formula: - Dy2 O5 Si - Comments: 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 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 863.37 Cell parameters: 10.4617; 6.74837; 12.5382; 90; 102.748; 90;

COD ID: 1570570
CIF file	Formula: - Er2 O5 Si - Comments: 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 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 845.62 Cell parameters: 10.369; 6.7028; 12.464; 90; 102.533; 90;

COD ID: 1570571
CIF file	Formula: - Ho2 O5 Si - Comments: 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 13(12) (2023) 1687 Space group: I 1 2/a 1 Cell volume: 854.8 Cell parameters: 10.4156; 6.7273; 12.5019; 90; 102.63; 90;

COD ID: 1570813

Formula: - C50 H51 B F15 K N O4 -
Comments: Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien Single electron reduction of NHC-CO2-borane compounds. Chemical science 15(9) (2024) 3165-3173
Space group: I 1 2/a 1
Cell volume: 10606.9
Cell parameters: 23.8532; 21.0638; 21.3167; 90; 97.97; 90;

COD ID: 1570978

Formula: - C31 H23 Br N2 O -
Comments: 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 15(11) (2024) 3920-3927
Space group: I 1 2/a 1
Cell volume: 4891.1
Cell parameters: 15.4196; 7.0728; 44.912; 90; 93.069; 90;

COD ID: 1571063

Formula: - C48 H38 B N O S -
Comments: 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 15(13) (2024) 4790-4796
Space group: I 1 2/a 1
Cell volume: 7163
Cell parameters: 18.072; 9.2591; 42.868; 90; 93.026; 90;

COD ID: 1571423

Formula: - C24 H44 F12 Li4 N4 O14 S5 -
Comments: 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)
Space group: I 1 2/a 1
Cell volume: 4585.29
Cell parameters: 10.398; 19.9938; 22.173; 90; 95.895; 90;

COD ID: 1571471

Formula: - C3 Na2 O2 -
Comments: Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe Na2C3O2: The First Crystalline Compound with the Elusive -C≡C-COO- Anion. Angewandte Chemie (International ed. in English) (2024) e202402978
Space group: I 1 2/a 1
Cell volume: 381.8
Cell parameters: 8.313; 7.2925; 6.4432; 90; 102.186; 90;

COD ID: 2000163
CIF file Original IUCr paper	Formula: - C6 H16 N O6 P - Comments: Macíček, J.; Vladkova, T. Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate Acta Crystallographica Section C 47(12) (1991) 2709-2711 Space group: I 1 2/a 1 Cell volume: 1995.7 Cell parameters: 15.108; 4.636; 28.819; 90; 98.62; 90;

COD ID: 2000182
CIF file Original IUCr paper	Formula: - C18 H15 Br O - Comments: Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J. Structure and photochemistry of a cyclohexenone and its solid-state photoproduct Acta Crystallographica Section C 47(11) (1991) 2417-2419 Space group: I 1 2/a 1 Cell volume: 2884.5 Cell parameters: 17.607; 8.213; 19.976; 90; 93.09; 90;

COD ID: 2000248
CIF file Original IUCr paper	Formula: - C25 H18 Cl2 O - Comments: 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 47(9) (1991) 1881-1885 Space group: I 1 2/a 1 Cell volume: 4145 Cell parameters: 23.95; 6.55; 26.59; 90; 96.4; 90;

COD ID: 2000426
CIF file Original IUCr paper	Formula: - C14 H16 I2 Pt Te2 - Comments: Levason, W.; Webster, M.; Mitchell, C. J. Structure of <i>trans</i>-diiodobis(methyl phenyl telluride)platinum(II) Acta Crystallographica Section C 48(11) (1992) 1931-1933 Space group: I 1 2/a 1 Cell volume: 3787 Cell parameters: 23.807; 9.548; 24.192; 90; 136.48; 90;

COD ID: 2000430

Formula: - C24 H21 N2 P -
Comments: Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A. Effect of the protonation and of the ortho substitution on the structure of aryliminophosphoranes Acta Crystallographica Section C 48(11) (1992) 1940-1945
Space group: I 1 2/a 1
Cell volume: 7921.7
Cell parameters: 30.4088; 11.5561; 22.9996; 90; 101.437; 90;

COD ID: 2000921
CIF file Original IUCr paper	Formula: - C20 H18 Br N O4 - Comments: Atkinson, A. M.; Rogers, D. Structure of 4-bromo-13α-methyl-13aα<i>H</i>-tetrahydropseudocoptisin Acta Crystallographica Section C 48(5) (1992) 931-932 Space group: I 1 2/a 1 Cell volume: 3468.2 Cell parameters: 25.259; 4.876; 28.326; 90; 96.215; 90;

COD ID: 2000926
CIF file Original IUCr paper	Formula: - C18 H28 N10 Ni O16 - Comments: 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 48(5) (1992) 942-943 Space group: I 1 2/a 1 Cell volume: 2779.83 Cell parameters: 16.288; 7.5741; 22.6836; 90; 96.606; 90;

COD ID: 2001151
CIF file Original IUCr paper	Formula: - C14 H25.33 Cl2 Fe N6 O1.67 - Comments: 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 49(12) (1993) 2102-2107 Space group: I 1 2/a 1 Cell volume: 5876.4 Cell parameters: 16.562; 9.704; 36.591; 90; 92.21; 90;

COD ID: 2001152
CIF file Original IUCr paper	Formula: - C14 H25.33 Cl2 N6 Ni O1.67 - Comments: 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 49(12) (1993) 2102-2107 Space group: I 1 2/a 1 Cell volume: 5822.1 Cell parameters: 16.477; 9.677; 36.534; 90; 91.9; 90;

COD ID: 2001153
CIF file Original IUCr paper	Formula: - C14 H25.33 Cl2 N6 O1.67 Zn - Comments: 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 49(12) (1993) 2102-2107 Space group: I 1 2/a 1 Cell volume: 5875 Cell parameters: 16.54; 9.709; 36.607; 90; 92.01; 90;

COD ID: 2001154
CIF file Original IUCr paper	Formula: - C14 H24 Cl2 Mn N6 O - Comments: 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 49(12) (1993) 2102-2107 Space group: I 1 2/a 1 Cell volume: 1864.7 Cell parameters: 13.01; 9.162; 15.669; 90; 93.251; 90;

COD ID: 2001749
CIF file Original IUCr paper	Formula: - C6 H8 Cd Cl O3 P - Comments: 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 49(5) (1993) 1035-1036 Space group: I 1 2/a 1 Cell volume: 1764.5 Cell parameters: 13.885; 5.8864; 21.624; 90; 93.25; 90;

COD ID: 2001845
CIF file Original IUCr paper	Formula: - C15 H19 Mn N5 O2 S2 - Comments: Brooker, S.; McKee, V. Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine Acta Crystallographica Section C 49(3) (1993) 441-445 Space group: I 1 2/a 1 Cell volume: 1856.2 Cell parameters: 9.902; 12.581; 15.203; 90; 101.46; 90;

COD ID: 2002657
CIF file	Formula: - O24 Os4 Sr11 - Comments: Tomaszewska, A; Mueller-Buschbaum, Hk Ein neues gemischtvalentes Oxoosmat (VI, VII): Sr11 (Os6+)2 (Os7+)2 O24 Zeitschrift fuer Anorganische und Allgemeine Chemie 619 (1993) 1738-1742 Space group: I 1 2/a 1 Cell volume: 2249.3 Cell parameters: 11.703; 16.058; 11.969; 90; 90.03; 90;

COD ID: 2002672
CIF file	Formula: - Cu Mo2 O8 Sb - Comments: 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-) 50 (1995) 717-720 Space group: I 1 2/a 1 Cell volume: 586.3 Cell parameters: 5.554; 4.916; 21.50998; 90; 93.42; 90;

COD ID: 2002737
CIF file	Formula: - O9 Sr2 V3 - Comments: 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-) 50 (1995) 43-46 Space group: I 1 2/a 1 Cell volume: 735.7 Cell parameters: 6.929; 16.24599; 7.26; 90; 115.82; 90;

COD ID: 2002780
CIF file	Formula: - O9 P2 Sr2 V - Comments: 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-) 51 (1996) 929-933 Space group: I 1 2/a 1 Cell volume: 679.6 Cell parameters: 6.744; 15.866; 7.032; 90; 115.412; 90;

COD ID: 2002793
CIF file	Formula: - As2 O9 Sr2 V - Comments: 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-) 51 (1996) 1290-1294 Space group: I 1 2/a 1 Cell volume: 726.8 Cell parameters: 6.8716; 16.30698; 7.196; 90; 115.67; 90;

COD ID: 2002947

Formula: - C6 H10 N2 -
Comments: 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 55(3) (1999) 441-447
Space group: I 1 2/a 1
Cell volume: 1960
Cell parameters: 14.1911; 8.252; 16.7382; 90; 90.696; 90;

COD ID: 2003486

Formula: - C26 H22 N4 O6 Zn -
Comments: Falvello, L. R.; Hicke, S.; Mueller, T. E. cis-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II) Acta Crystallographica Section C 51(5) (1995) 859-861
Space group: I 1 2/a 1
Cell volume: 2565.1
Cell parameters: 13.899; 12.156; 15.781; 90; 105.84; 90;

COD ID: 2003565
CIF file Original IUCr paper	Formula: - C20 H22 Br N O6 - Comments: Kariuki, B. M.; Jones, W. Five Salts of Berberine Acta Crystallographica Section C 51(6) (1995) 1234-1240 Space group: I 1 2/a 1 Cell volume: 3883 Cell parameters: 21.974; 7.2; 26.151; 90; 110.18; 90;

COD ID: 2004458
CIF file Original IUCr paper	Formula: - C26 H22 Mn N4 O6 - Comments: Hicke, S.; Mueller, T. E.; Falvello, L. R. <i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II) Acta Crystallographica Section C 52(2) (1996) 307-309 Space group: I 1 2/a 1 Cell volume: 2598.7 Cell parameters: 13.847; 12.2; 15.981; 90; 105.72; 90;

COD ID: 2005492
CIF file Original IUCr paper	Formula: - C18 H10 Ag2 F6 N4 O7 S2 - Comments: Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S. Silver(I) Complexes of 1,4-Dicyanobenzene Acta Crystallographica Section C 52(10) (1996) 2416-2419 Space group: I 1 2/a 1 Cell volume: 2463.7 Cell parameters: 13.032; 11.948; 16.295; 90; 103.83; 90;

COD ID: 2006008
CIF file Original IUCr paper	Formula: - C15 H22 O2 - Comments: Boss, C.; Stoeckli-Evans, H.; Keese, R. <i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol Acta Crystallographica Section C 53(3) (1997) 322-325 Space group: I 1 2/a 1 Cell volume: 2770.8 Cell parameters: 17.812; 8.2826; 19.064; 90; 99.878; 90;

COD ID: 2006009
CIF file Original IUCr paper	Formula: - C15 H22 O2 - Comments: Boss, C.; Stoeckli-Evans, H.; Keese, R. <i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol Acta Crystallographica Section C 53(3) (1997) 322-325 Space group: I 1 2/a 1 Cell volume: 2724 Cell parameters: 17.779; 8.238; 18.881; 90; 99.92; 90;

COD ID: 2006064