Crystallography Open Database

Information card for entry 7048542

Preview

Coordinates	7048542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Br Fe K N2 O6 Si4
Calculated formula	C24 H60 Br 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	11.8367 ± 0.0006 Å
b	12.8422 ± 0.0007 Å
c	15.1912 ± 0.0009 Å
α	81.153 ± 0.002°
β	72.566 ± 0.002°
γ	65.531 ± 0.002°
Cell volume	2004.08 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7048542.cif
212961	2019-01-11	cif/ Adding structures of 7048542, 7048543, 7048544, 7048545, 7048546, 7048547, 7048548, 7048549 via cif-deposit CGI script.	7048542.cif