Crystallography Open Database

Information card for entry 7711794

Preview

Coordinates	7711794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Cl2 N P2 Ru
Calculated formula	C33 H31 Cl2 N P2 Ru
SMILES	[Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#N)[cH]1[cH]2[cH]5[cH]4[cH]31.ClCCl
Title of publication	Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.
Authors of publication	He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	12.923 ± 0.002 Å
b	9.1065 ± 0.0014 Å
c	25.677 ± 0.004 Å
α	90°
β	90.032 ± 0.003°
γ	90°
Cell volume	3021.8 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.0364
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
279335 (current)	2022-11-17	cif/ Adding structures of 7711780, 7711781, 7711782, 7711783, 7711784, 7711785, 7711786, 7711787, 7711788, 7711789, 7711790, 7711791, 7711792, 7711793, 7711794 via cif-deposit CGI script.	7711794.cif