Crystallography Open Database

Information card for entry 7063341

Preview

Coordinates	7063341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 N8 O2 P2 W
Calculated formula	C56 H46 N8 O2 P2 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	12.6138 ± 0.0001 Å
b	21.6289 ± 0.0001 Å
c	21.862 ± 0.0001 Å
α	117.873 ± 0.001°
β	90.93°
γ	103.3°
Cell volume	5077.68 ± 0.07 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	259.99 ± 0.1 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	0.0415
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7063341.cif
293364	2024-07-11	cif/ Adding structures of 7063341, 7063342, 7063343 via cif-deposit CGI script.	7063341.cif