Crystallography Open Database

Information card for entry 7700058

Preview

Coordinates	7700058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.6 H103.2 Cl1.2 F12 N10 P6 Ru4
Calculated formula	C100.6 H103.2 Cl1.2 F12 N10 P6 Ru4
Title of publication	The MMCT excited state of a localized mixed valence cyanido-bridged Ru<sup>II</sup>-Ru-Ru<sup>II</sup> complex.
Authors of publication	Su, Shao-Dong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Yang, Yu-Ying; Wen, Yue-Hong; Wu, Xin-Tao; Yang, Song-Qiu; Sheng, Tian-Lu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9303 - 9309
a	28.64 ± 0.006 Å
b	22.121 ± 0.004 Å
c	21.051 ± 0.005 Å
α	90°
β	121.458 ± 0.003°
γ	90°
Cell volume	11377 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
224201 (current)	2019-11-08	cif/ Updating files of 7700056, 7700057, 7700058, 7700059 Original log message: Adding full bibliography for 7700056--7700059.cif.	7700058.cif
215462	2019-05-24	cif/ Adding structures of 7700056, 7700057, 7700058, 7700059 via cif-deposit CGI script.	7700058.cif