Crystallography Open Database

Information card for entry 1571918

1571917 << 1571918 >> 1571919

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Coordinates	1571918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H56 Al2 F30 N4 P4 W
Calculated formula	C63 H56 Al2 F30 N4 P4 W
Title of publication	Coordination of Al(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> <i>vs.</i> B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> on group 6 end-on dinitrogen complexes: chemical and structural divergences.
Authors of publication	Escomel, Léon; Martins, Frederico F.; Vendier, Laure; Coffinet, Anaïs; Queyriaux, Nicolas; Krewald, Vera; Simonneau, Antoine
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11321 - 11336
a	13.9151 ± 0.0001 Å
b	14.0458 ± 0.0001 Å
c	20.9884 ± 0.0001 Å
α	79.92°
β	80.39°
γ	71.409 ± 0.001°
Cell volume	3800.84 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0269
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
293726 (current)	2024-08-05	cif/ Updating files of 1571910, 1571911, 1571912, 1571913, 1571914, 1571915, 1571916, 1571917, 1571918, 1571919 Original log message: Adding full bibliography for 1571910--1571919.cif.	1571918.cif
292430	2024-06-18	cif/ Adding structures of 1571910, 1571911, 1571912, 1571913, 1571914, 1571915, 1571916, 1571917, 1571918, 1571919 via cif-deposit CGI script.	1571918.cif