Crystallography Open Database

Information card for entry 4086548

Preview

Coordinates	4086548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 B Fe N
Calculated formula	C26 H42 B Fe N
Title of publication	Insight into the Formation of Highly Strained [1]Ferrocenophanes with Boron in Bridging Position
Authors of publication	Bhattacharjee, Hridaynath; Martell, Jonathon D.; Khozeimeh Sarbisheh, Elaheh; Sadeh, Saeid; Quail, J. Wilson; Müller, Jens
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	12
Pages of publication	2156
a	7.3391 ± 0.0003 Å
b	9.4771 ± 0.0003 Å
c	9.9193 ± 0.0003 Å
α	102.177 ± 0.0012°
β	103.396 ± 0.0013°
γ	105.969 ± 0.0012°
Cell volume	616.8 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
184944 (current)	2016-08-05	cif/ Updating files of 4086548 Original log message: Adding full bibliography for 4086548.cif.	4086548.cif
183618	2016-06-17	cif/ Adding structures of 4086548 via cif-deposit CGI script.	4086548.cif