Crystallography Open Database

Information card for entry 4087743

Preview

Coordinates	4087743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H66 N4 O2 Si6 Ta2
Calculated formula	C22 H66 N4 O2 Si6 Ta2
SMILES	C[Ta]1(N([Si](C)(C)C)[Si](C)(C)C)(=N[Si](C)(C)C)[O](C)[Ta](C)(N([Si](C)(C)C)[Si](C)(C)C)(=N[Si](C)(C)C)[O]1C
Title of publication	Syntheses and Characterization of Tantalum Alkyl Imides and Amide Imides. DFT Studies of Unusual α-SiMe3 Abstraction by an Amide Ligand
Authors of publication	Hunter, Seth C.; Chen, Shu-Jian; Steren, Carlos A.; Richmond, Michael G.; Xue, Zi-Ling
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5687
a	9.4036 ± 0.0007 Å
b	16.0261 ± 0.0011 Å
c	13.5459 ± 0.001 Å
α	90°
β	92.705 ± 0.001°
γ	90°
Cell volume	2039.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0189
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
236967 (current)	2019-11-24	cif/ Adding structures of 4087742, 4087743 via cif-deposit CGI script.	4087743.cif