Crystallography Open Database

Information card for entry 7710985

Preview

Coordinates	7710985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H55 Cl2 F6 Fe N6 O P3 Ru
Calculated formula	C58 H55 Cl2 F6 Fe N6 O P3 Ru
Title of publication	The investigation on electron transfer properties between metal centers in binuclear and trinuclear cyanido-bridged mixed valence complexes with cis/trans-configuration
Authors of publication	xu, qingdou; Chen, Zeng; Su, Shaodong; He, Yong; Liu, Yang; Hu, Shengmin; Wu, Xintao; Sheng, Tianlu
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.63212 ± 0.00019 Å
b	12.3333 ± 0.0002 Å
c	22.3815 ± 0.0003 Å
α	85.9555 ± 0.0013°
β	79.6473 ± 0.0013°
γ	73.0909 ± 0.0016°
Cell volume	2761.75 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277265 (current)	2022-08-17	cif/ Adding structures of 7710985, 7710986, 7710987, 7710988, 7710989, 7710990 via cif-deposit CGI script.	7710985.cif