Crystallography Open Database

Information card for entry 7700057

Preview

Coordinates	7700057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Cl2 N O0 P2 Ru
Calculated formula	C34 H33 Cl2 N P2 Ru
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	13.1304 ± 0.0014 Å
b	9.1192 ± 0.0009 Å
c	26.004 ± 0.003 Å
α	90°
β	90.552 ± 0.011°
γ	90°
Cell volume	3113.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0456
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7700057.cif
215462	2019-05-24	cif/ Adding structures of 7700056, 7700057, 7700058, 7700059 via cif-deposit CGI script.	7700057.cif