Crystallography Open Database

Information card for entry 1573266

Preview

Coordinates	1573266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H69 B Mo O2 P4
Calculated formula	C46 H69 B Mo O2 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	21.5133 ± 0.0002 Å
b	18.8557 ± 0.0002 Å
c	22.697 ± 0.0002 Å
α	90°
β	99.354 ± 0.001°
γ	90°
Cell volume	9084.57 ± 0.15 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	0.0334
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	1573266.cif
296099	2024-11-26	cif/ Adding structures of 1573265, 1573266, 1573267, 1573268 via cif-deposit CGI script.	1573266.cif