Crystallography Open Database

Information card for entry 7700474

Preview

Coordinates	7700474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 F6 N P3 Ru
Calculated formula	C39 H36 F6 N 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	10.803 ± 0.0003 Å
b	16.603 ± 0.0005 Å
c	20.3682 ± 0.0006 Å
α	87.6054 ± 0.0007°
β	88.2701 ± 0.0007°
γ	87.3777 ± 0.0007°
Cell volume	3644.81 ± 0.18 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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.	7700474.cif
216851	2019-07-09	cif/ Adding structures of 7700474, 7700475, 7700476, 7700477, 7700478 via cif-deposit CGI script.	7700474.cif