Crystallography Open Database

Information card for entry 7063342

Preview

Coordinates	7063342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 N8 O2 Rb2 W
Calculated formula	C8 H6 N8 O2 Rb2 W
Title of publication	Synthesis of diaminoacetylene from cyanido ligands of the octacyanidotungstate complex
Authors of publication	Szklarzewicz, Janusz; Hodorowicz, Maciej; Jurowska, Anna
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	29
Pages of publication	13196 - 13205
a	8.5484 ± 0.0002 Å
b	14.3462 ± 0.0003 Å
c	12.877 ± 0.0002 Å
α	90°
β	90.846 ± 0.002°
γ	90°
Cell volume	1579.03 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.49 ± 0.13 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
293882 (current)	2024-08-05	cif/ Updating files of 7063341, 7063342, 7063343 Original log message: Adding full bibliography for 7063341--7063343.cif.	7063342.cif
293364	2024-07-11	cif/ Adding structures of 7063341, 7063342, 7063343 via cif-deposit CGI script.	7063342.cif