Crystallography Open Database

Information card for entry 1554623

Preview

Coordinates	1554623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H41 F12 Fe N P2 Ru S3
Calculated formula	C26 H41 F12 Fe N P2 Ru S3
Title of publication	Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions
Authors of publication	Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping
Journal of publication	Catalysis Science & Technology
Year of publication	2019
Journal volume	9
Journal issue	22
Pages of publication	6492
a	11.8 ± 0.004 Å
b	15.608 ± 0.006 Å
c	18.603 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3426 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.231
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
237875 (current)	2019-11-24	cif/ Adding structures of 1554620, 1554621, 1554622, 1554623, 1554624, 1554625, 1554626 via cif-deposit CGI script.	1554623.cif