Crystallography Open Database

Information card for entry 7048676

Preview

Coordinates	7048676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 F12 N6 O4 P6 Ru2
Calculated formula	C80 H78 F12 N6 O4 P6 Ru2
Title of publication	Facile synthesis of 1,5-disubstituted 1,2,3-triazoles by the regiospecific alkylation of a ruthenium triazolato complex.
Authors of publication	Chang, Chao-Wan; Lee, Gene-Hsiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2028 - 2037
a	12.1244 ± 0.0004 Å
b	12.4294 ± 0.0005 Å
c	15.4419 ± 0.0006 Å
α	86.9979 ± 0.0011°
β	77.3854 ± 0.0012°
γ	86.1615 ± 0.0012°
Cell volume	2264.11 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
224153 (current)	2019-11-07	cif/ Updating files of 7048674, 7048675, 7048676 Original log message: Adding full bibliography for 7048674--7048676.cif.	7048676.cif
213217	2019-01-19	cif/ Adding structures of 7048674, 7048675, 7048676 via cif-deposit CGI script.	7048676.cif