Crystallography Open Database

Information card for entry 7006669

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Coordinates	7006669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H64 N5 Si4 Ta
Calculated formula	C39 H64 N5 Si4 Ta
SMILES	[Ta]123([N](=C(N1[Si](C)(C)C)c1ccc(cc1)C)[Si](C)(C)C)(N([Si](C)(C)C)C(=[N]2[Si](C)(C)C)c1ccc(cc1)C)(N(C3=C)c1c(cccc1C)C)C
Title of publication	Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.
Authors of publication	Mullins, Sarah M.; Bergman, Robert G.; Arnold, John
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	203 - 212
a	17.9014 ± 0.0004 Å
b	11.6015 ± 0.0002 Å
c	23.0038 ± 0.0005 Å
α	90°
β	111.041 ± 0.001°
γ	90°
Cell volume	4458.95 ± 0.16 Å³
Cell temperature	170.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for all reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.0316
Goodness-of-fit parameter for all reflections included in the refinement	0.838
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7006669.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006669.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006669.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006669.cif