Crystallography Open Database

Information card for entry 4086650

Preview

Coordinates	4086650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H104 B2 Fe2 K2 N8 O9
Calculated formula	C76 H104 B2 Fe2 K2 N8 O9
Title of publication	A Bidentate Carbene Ligand Stabilizes a Low-Coordinate Iron(0) Carbonyl Complex
Authors of publication	Hickey, Anne K.; Lee, Wei-Tsung; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	3069
a	19.2814 ± 0.0008 Å
b	10.6535 ± 0.0004 Å
c	20.1649 ± 0.0008 Å
α	90°
β	111.215 ± 0.002°
γ	90°
Cell volume	3861.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.0681
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections	0.1429
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	0.9778
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186959 (current)	2016-10-05	cif/ Updating files of 4086647, 4086648, 4086649, 4086650, 4086651 Original log message: Adding full bibliography for 4086647--4086651.cif.	4086650.cif
185833	2016-08-17	cif/ Adding structures of 4086647, 4086648, 4086649, 4086650, 4086651 via cif-deposit CGI script.	4086650.cif