Crystallography Open Database

Information card for entry 7245405

Preview

Coordinates	7245405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 N3 P2 Ru
Calculated formula	C40 H37 N3 P2 Ru
SMILES	[Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(n1ncc(n1)c1ccc(cc1)C)[cH]1[cH]2[cH]3[cH]4[cH]51
Title of publication	The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures
Authors of publication	Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	38
Pages of publication	24830 - 24838
a	11.5899 ± 0.0003 Å
b	11.8945 ± 0.0003 Å
c	12.2685 ± 0.0003 Å
α	87.7701 ± 0.0008°
β	77.0758 ± 0.0006°
γ	84.2939 ± 0.0007°
Cell volume	1640.03 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
277532 (current)	2022-09-01	cif/ Adding structures of 7245404, 7245405, 7245406, 7245407 via cif-deposit CGI script.	7245405.cif