Crystallography Open Database

Information card for entry 4116938

Preview

Coordinates	4116938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.25 H120 Fe Mo3 N18 Si9
Calculated formula	C46.25 H116 Fe Mo3 N18 Si9
Title of publication	"Fixation" of Dinitrogen by Molybdenum and the Formation of a Trigonal Planar Iron-Tris[molybdenum(dinitrogen)] Complex
Authors of publication	Myra B. O'Donoghue; Nadia C. Zanetti; William M. Davis; Richard R. Schrock
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	2753 - 2754
a	10.4926 ± 0.0002 Å
b	14.33 ± 0.0001 Å
c	26.8775 ± 0.0006 Å
α	97.285 ± 0.001°
β	93.267 ± 0.001°
γ	90.163 ± 0.002°
Cell volume	4001.93 ± 0.12 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1896
Residual factor for significantly intense reflections	0.1345
Weighted residual factors for all reflections	0.3082
Weighted residual factors for significantly intense reflections	0.2611
Goodness-of-fit parameter for all reflections	1.28
Goodness-of-fit parameter for significantly intense reflections	1.382
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116938.html