Crystallography Open Database

Information card for entry 4120015

4120014 << 4120015 >> 4120016

Preview

Coordinates	4120015.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ta-complex
Chemical name	Ta-complex, AK-750
Formula	C38 H70 N8 Ta2
Calculated formula	C38 H70 N8 Ta2
Title of publication	N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation
Authors of publication	Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	9580 - 9583
a	11.3498 ± 0.0006 Å
b	11.3498 ± 0.0006 Å
c	31.8364 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4101.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0139
Weighted residual factors for significantly intense reflections	0.0312
Weighted residual factors for all reflections included in the refinement	0.0314
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178977 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/00.	4120015.cif
104893	2014-03-11	cif/ Adding structures of 4120015 via cif-deposit CGI script.	4120015.cif