Crystallography Open Database

Information card for entry 7063697

Preview

Coordinates	7063697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109 H105 Cl3 F12 Fe3 N7 P8 Ru
Calculated formula	C109 H105 Cl3 F12 Fe3 N7 P8 Ru
Title of publication	A T-shaped cyanidometal-bridged tetranuclear Fe3Ru complex with oxidation-driven intramolecular charge transfer between metal centres
Authors of publication	Wang, Hao; Liu, Xiao-Lin; Liu, Han; Wu, Xin-Tao; Sheng, Tian-Lu
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	16
Pages of publication	6595 - 6602
a	17.5721 ± 0.0003 Å
b	17.3121 ± 0.0002 Å
c	35.253 ± 0.0005 Å
α	90°
β	100.215 ± 0.001°
γ	90°
Cell volume	10554.3 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301057 (current)	2025-07-06	cif/ Updating files of 7063697 Original log message: Adding full bibliography for 7063697.cif.	7063697.cif
298488	2025-03-18	cif/ Adding structures of 7063697 via cif-deposit CGI script.	7063697.cif