Crystallography Open Database

Information card for entry 7700477

Preview

Coordinates	7700477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 F11 N4 P3 Ru
Calculated formula	C46 H38 F11 N4 P3 Ru
Title of publication	Facile synthesis of 1,5-disubstituted tetrazoles by reacting a ruthenium acetylide complex with trimethylsilyl azide.
Authors of publication	Chang, Chao-Wan; Cheng, Ming-Chuan; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	31
Pages of publication	11732 - 11742
a	20.9469 ± 0.0005 Å
b	19.2948 ± 0.0004 Å
c	22.1464 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8950.8 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.087
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
224368 (current)	2019-11-08	cif/ Updating files of 7700474, 7700475, 7700476, 7700477, 7700478 Original log message: Adding full bibliography for 7700474--7700478.cif.	7700477.cif
216851	2019-07-09	cif/ Adding structures of 7700474, 7700475, 7700476, 7700477, 7700478 via cif-deposit CGI script.	7700477.cif