Crystallography Open Database

Information card for entry 7048545

Preview

Coordinates	7048545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H65 Fe K N2 O6 Si4
Calculated formula	C30 H65 Fe K N2 O6 Si4
Title of publication	C-Halide bond cleavage by a two-coordinate iron(i) complex.
Authors of publication	Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1757 - 1765
a	10.1672 ± 0.0004 Å
b	23.713 ± 0.0009 Å
c	17.7834 ± 0.0009 Å
α	90°
β	92.968 ± 0.002°
γ	90°
Cell volume	4281.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0685
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
223997 (current)	2019-11-07	cif/ Updating files of 7048542, 7048543, 7048544, 7048545, 7048546, 7048547, 7048548, 7048549 Original log message: Adding full bibliography for 7048542--7048549.cif.	7048545.cif
212961	2019-01-11	cif/ Adding structures of 7048542, 7048543, 7048544, 7048545, 7048546, 7048547, 7048548, 7048549 via cif-deposit CGI script.	7048545.cif