Crystallography Open Database

Information card for entry 1573265

Preview

Coordinates	1573265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H66 B0 Mo N P4
Calculated formula	C44 H73 B Mo P4
Title of publication	Reactivity of metal hydrides with CO<sub>2</sub>: going beyond formate with a high-valent cationic pentahydride Mo(vi) complex.
Authors of publication	Queyriaux, Nicolas; Cabrera-Trujillo, Jorge J; Durvin, Nina; Vendier, Laure; Miqueu, Karinne; Simonneau, Antoine
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	48
Pages of publication	20582 - 20589
a	13.933 ± 0.0003 Å
b	16.7804 ± 0.0004 Å
c	19.2576 ± 0.0005 Å
α	90°
β	95.774 ± 0.002°
γ	90°
Cell volume	4479.61 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.117
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2239
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297099 (current)	2025-01-06	cif/ Updating files of 1573265, 1573266, 1573267, 1573268 Original log message: Adding full bibliography for 1573265--1573268.cif.	1573265.cif
296099	2024-11-26	cif/ Adding structures of 1573265, 1573266, 1573267, 1573268 via cif-deposit CGI script.	1573265.cif