Crystallography Open Database

Information card for entry 4062085

4062084 << 4062085 >> 4062086

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Coordinates	4062085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H60 B F15 Si6 Zr
Calculated formula	C47 H60 B F15 Si6 Zr
SMILES	[Zr]23456789%10(C[B](c%11c(F)c(F)c(F)c(F)c%11F)(c%11c(F)c(F)c(F)c(F)c%11F)c%11c(F)c(F)c(F)c(F)c%11F)([cH]%11[c]2([Si](C)(C)C)[c]3([cH]4[c]5%11[Si](C)(C)C)[Si](C)(C)C)C[Si]([c]26[cH]7[c]8([Si](C)(C)C)[cH]9[c]%102[Si](C)(C)C)(C)C
Title of publication	C-H Activation of the Trimethylsilyl-Substituted Cyclopentadienyl Ligand in the "Cation-like" Complex [Cp'''~2~ZrMe][Me(B(C~6~F~5~)~3~] (Cp''' = η^5^-C~5~H~2~-1,2,4-(SiMe~3~)~3~)
Authors of publication	Choukroun, Robert; Wolff, Fabien; Lorber, Christian; Donnadieu, Bruno
Journal of publication	Organometallics
Year of publication	2003
Journal volume	22
Journal issue	11
Pages of publication	2245 - 2248
a	12.805 ± 0.005 Å
b	13.873 ± 0.005 Å
c	17.953 ± 0.005 Å
α	79.763 ± 0.005°
β	81.826 ± 0.005°
γ	62.677 ± 0.005°
Cell volume	2781.6 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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