Crystallography Open Database

Information card for entry 4336834

Preview

Structure parameters

Formula	C58 H85 B3 F12 Fe2 N16 O8
Calculated formula	C58 H85 B3 F12 Fe2 N16 O8
Title of publication	Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products
Authors of publication	Amit Majumdar; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13292 - 13294
a	13.0188 ± 0.0004 Å
b	15.2668 ± 0.0004 Å
c	20.2175 ± 0.0005 Å
α	68.9001 ± 0.0003°
β	72.3877 ± 0.0004°
γ	75.8563 ± 0.0004°
Cell volume	3531.51 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4336834.html