Crystallography Open Database

Information card for entry 7008801

Preview

Coordinates	7008801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H60 Li4 O7 Si6
Calculated formula	C22 H60 Li4 O7 Si6
SMILES	[Li]12[C@H]([Si](C)(C)C)[Si]3([O]([Li]4[O]([Si]([O]([Li]5[O]([Si]([O]([Li]([O]3C)[O]45C)C)([C@H]1[Si](C)(C)C)C)C)C)([C@H]2[Si](C)(C)C)C)C)C)C.[Li]12[C@@H]([Si](C)(C)C)[Si]3([O]([Li]4[O]([Si]([O]([Li]5[O]([Si]([O]([Li]([O]3C)[O]45C)C)([C@@H]1[Si](C)(C)C)C)C)C)([C@@H]2[Si](C)(C)C)C)C)C)C
Title of publication	The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls.
Authors of publication	Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	18
Pages of publication	2988 - 2993
a	10.0199 ± 0.0001 Å
b	22.1861 ± 0.0004 Å
c	18.1958 ± 0.0004 Å
α	90°
β	99.023 ± 0.001°
γ	90°
Cell volume	3994.92 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179792 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/88.	7008801.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008801.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008801.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008801.cif