Crystallography Open Database

Information card for entry 7048280

Preview

Coordinates	7048280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Br Fe2 O5 S3
Calculated formula	C11 H15 Br Fe2 O5 S3
Title of publication	Diiron(ii) pentacarbonyl complexes as CO-releasing molecules: their synthesis, characterization, CO-releasing behaviour and biocompatibility.
Authors of publication	Xiao, Zhiyin; Jiang, Ran; Jin, Jing; Yang, Xiuqin; Xu, Binyu; Liu, Xiaoming; He, Yabing; He, Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	2
Pages of publication	468 - 477
a	16.0887 ± 0.0012 Å
b	15.4561 ± 0.0007 Å
c	16.3446 ± 0.0015 Å
α	90°
β	108.111 ± 0.008°
γ	90°
Cell volume	3863 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.212
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.1863
Weighted residual factors for all reflections included in the refinement	0.2329
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224128 (current)	2019-11-07	cif/ Updating files of 7048280, 7048281, 7048282, 7048283 Original log message: Adding full bibliography for 7048280--7048283.cif.	7048280.cif
212250	2018-11-30	cif/ Adding structures of 7048280, 7048281, 7048282, 7048283 via cif-deposit CGI script.	7048280.cif