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★声明：本文仅代表个人观点，笔者学识有限，资料整理过程中难免存在疏漏谬误，请不吝指正。 (五甲基)环戊二烯基锂（钠、钾）晶体结构 ★信源★ Robert E. Dinnebier课题组在期刊《晶体学报B辑》（Acta Crystallographica Section B）报道了五甲基环戊二烯基锂晶体结构，论文为“Acta Cryst. 1999, B55, 35–44. DOI [1]: 10.1107/S0108768198007009.”；课题组在期刊《有机金属》（Organometallics）报道了环戊二烯基锂、环戊二烯基钠和环戊二烯基钾晶体结构，论文为“Organometallics 1997, 16, 3855–3858. DOI: 10.1021/om9700122.”。 ★基本信息★ 中文名称：五甲基环戊二烯基锂 英文名称：Lithiumpentamethylcyclopentadienide 化学简式：C5Me5Li或LiC5Me5 简写形式：Cp*Li或LiCp* CAS：51905-34-1 CCDC [2]：131761 DOI：10.5517/cc4f3c0 中文名称：环戊二烯基锂 英文名称：Lithiumcyclopentadienide 化学简式：C5H5Li或LiC5H5 简写形式：CpLi或LiCp CAS：16733-97-4 CCDC：1219454 中文名称：环戊二烯基钠 英文名称：Sodiumcyclopentadienylide 化学简式：C5H5Na或NaC5H5 简写形式：CpNa或NaCp CAS：4984-82-1 CCDC：1219455 中文名称：环戊二烯基钾 英文名称：Potassiumcyclopentadienylide 化学简式：C5H5K或KC5H5 简写形式：CpK或KCp CAS：0994-24-2 CCDC：1219456 ★晶体结构★ 其结构示意图如图1所示（由ChemBioDraw [3]绘制），代表性化合物环戊二烯基锂晶体结构图如图2所示（由Diamond[4]绘制）。晶体结构表明环戊二烯基锂是一个一维线性结构，环戊二烯基以μ-η5:η5模式桥联金属锂，因此其结构式可写为[Li(μ-η5:η5-Cp)]n，如果不写异丁基与金属之间的键合模式，则可写为[LiCp]n。 ▲图1 (五甲基)环戊二烯基锂（钠、钾）结构示意图 ▲图2 环戊二烯基锂晶体结构图（球棍模型）（2个单元） 论文可从期刊主页下载，晶体数据可从CCDC晶体数据库下载，也可以从以下链接下载： 提取码: 9zja 参考文献 [1] (a)International Organization for Standardization (2012). ISO 26324:2012. Information and Documentation – DigitalObject Identifier System. http://www.iso.org/iso/catalogue_detail.htm?csnumber=43506. (b) McDonald J. D.;Levine-Clark, M. Encyclopedia of Libraryand Information Sciences. Fourth Edition, CRC Press, 2017. DOI: 10.1081/e-elis4. (c) Liu, J. Digital ObjectIdentifier (DOI) and DOI Services: An Overview. Libri 2021, 71, 349‒360. DOI:10.1515/libri-2020-0018. (d) International Organization forStandardization (2022). ISO 26324:2022. Informationand Documentation – Digital Object Identifier System. https://www.iso.org/standard/81599.html[2] (a)Allen, F. H. The Cambridge Structural Database: A Quarter of a Million CrystalStructures and Rising. Acta Cryst. 2002, B58, 380–388. DOI:10.1107/S0108768102003890. (b) Groom, C. R.; Bruno, I. J.; Lightfoot, M.P.; Ward, S. C. The Cambridge Structural Database. Acta Cryst. 2016, B72, 171–179. DOI:10.1107/S2052520616003954. (c) Mitchell, J.; Robertson, J. H.; Raithby,P. R. Cambridge Crystallographic Data Centre (CCDC). Comprehensive Coordination Chemistry III 2021, 413–437. [3] (a)Klein, F. M. CS ChemDraw Pro,1 Version 3.1 for Windows. J. Chem. Inf. Comput. Sci. 1995, 35, 166–167. DOI: 10.1021/ci00023a026. (b)Cousins, K. R. ChemDraw 6.0 Ultra CambridgeSoft Corporation, 100 Cambridge ParkDrive, Cambridge, MA 02140. http://www.camsoft.com. Commercial Price: $1395.Academic Price: $699. J. Am. Chem. Soc. 2000, 122, 10257–10258. DOI: 10.1021/ja0047572.(c) Buntrock, R. E. ChemOffice Ultra 7.0. J. Chem. Inf. Comput. Sci. 2002, 42, 1505–1506. DOI: 10.1021/ci025575p. (d) Li, Z.; Wan, H.; Shi, Y.;Ouyang, P. Personal Experience with Four Kinds of Chemical Structure DrawingSoftware: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch. J. Chem. Inf. Comput. Sci. 2004, 44, 1886–1890. DOI: 10.1021/ci049794h.(e) Mendelsohn, L. D. ChemDraw8 Ultra, Windows and Macintosh Versions. J. Chem. Inf. Comput. Sci. 2004, 44, 2225–2226. DOI: 10.1021/ci040123t. (f) Cousins, K. R. ChemDrawUltra 9.0. CambridgeSoft, 100 CambridgePark Drive, Cambridge, MA 02140. www.cambridgesoft.com. See Web site for pricing options. J. Am. Chem. Soc. 2005, 127, 4115–4116. DOI:10.1021/ja0410237. (g) Zielesny, A. Chemistry Software PackageChemOffice Ultra 2005. J. Chem. Inf.Model. 2005, 45, 1474–1477. DOI:10.1021/ci050273j. (h) Mills, N. ChemDraw Ultra 10.0 CambridgeSoft, 100CambridgePark Drive, Cambridge, MA 02140. www.cambridgesoft.com. CommercialPrice: $1910 for download, $2150 for CD-ROM; Academic Price: $710 fordownload, $800 for CD-ROM. J. Am. Chem. Soc. 2006, 128, 13649–13650. DOI: 10.1021/ja0697875. (i) Kerwin, S. M.ChemBioOffice Ultra 2010 Suite. J. Am. Chem. Soc. 2010, 132, 2466–2467. DOI: 10.1021/ja1005306. (j) Milne, G. W. A. SoftwareReview of ChemBioDraw 12.0. J. Chem. Inf.Model. 2010, 50, 2053. DOI:10.1021/ci100385n. (k) Narayanaswamy, V. K.; Rissdörfer, M.; Odhav, B.Review on CambridgeSoft ChemBioDraw Ultra 13.0v. Int. J. Theor. Appl. Sci. 2013, 5, 43–49. [4] Brandenburg,K.; Putz, H. DIAMOND – Visual Crystal Structure Information System.Ver. 4.6.1; Crystal Impact: Bonn, Germany, 2019.
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