Crystallography Open Database

Information card for entry 7048283

Preview

Coordinates	7048283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Br4 Fe4 O6 S6
Calculated formula	C18 H30 Br4 Fe4 O6 S6
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	9.9734 ± 0.0012 Å
b	11.7281 ± 0.0015 Å
c	17.3 ± 0.002 Å
α	79.277 ± 0.011°
β	80.459 ± 0.011°
γ	65.816 ± 0.012°
Cell volume	1804.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3573
Residual factor for significantly intense reflections	0.1188
Weighted residual factors for significantly intense reflections	0.2233
Weighted residual factors for all reflections included in the refinement	0.3574
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7048283.cif
212250	2018-11-30	cif/ Adding structures of 7048280, 7048281, 7048282, 7048283 via cif-deposit CGI script.	7048283.cif