Crystallography Open Database

Information card for entry 1571912

1571911 << 1571912 >> 1571913

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Coordinates	1571912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 Al F15 Mo N4 P4
Calculated formula	C38 H48 Al F15 Mo N4 P4
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	12.0871 ± 0.0004 Å
b	16.7971 ± 0.0003 Å
c	23.8312 ± 0.0004 Å
α	87.584 ± 0.002°
β	85.376 ± 0.003°
γ	73.657 ± 0.002°
Cell volume	4626.8 ± 0.2 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	0.0928
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	1571912.cif
292430	2024-06-18	cif/ Adding structures of 1571910, 1571911, 1571912, 1571913, 1571914, 1571915, 1571916, 1571917, 1571918, 1571919 via cif-deposit CGI script.	1571912.cif