Crystallography Open Database

Information card for entry 4327900

Preview

Coordinates	4327900.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tantalum Guanidinate
Chemical name	Tantalum Guanidinate
Formula	C35 H71 N8 Si Ta
Calculated formula	C35 H71 N8 Si Ta
SMILES	[Ta]12(=N[Si](C)(C)C)(N(C)C)([N](C3CCCCC3)=C(N1C1CCCCC1)N(C)C)[N](=C(N2C1CCCCC1)N(C)C)C1CCCCC1
Title of publication	Formation of the Imide [Ta(NMe2)3(μ-NSiMe3)]2 through an Unprecedented α-SiMe3 Abstraction by an Amide Ligand
Authors of publication	Bhavna Sharma; Shu-Jian Chen; Julia K. C. Abbott; Xue-Tai Chen; Zi-Ling Xue
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	25 - 27
a	11.2599 ± 0.0015 Å
b	23.957 ± 0.003 Å
c	14.892 ± 0.002 Å
α	90°
β	93.496 ± 0.003°
γ	90°
Cell volume	4009.7 ± 0.9 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	0.0365
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	0.742
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327900.cif
76822	2013-03-21	cif/ Adding structures of 4327900 via cif-deposit CGI script.	4327900.cif