Crystallography Open Database

Information card for entry 1571027

Preview

Coordinates	1571027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C173 H162 B8 Mo4 N38
Calculated formula	C173 H162 B8 Mo4 N38
Title of publication	Oxidation-induced ambiphilicity triggers N-N bond formation and dinitrogen release in octahedral terminal molybdenum(v) nitrido complexes.
Authors of publication	Almquist, C. Christopher; Rajeshkumar, Thayalan; Jayaweera, H. D. A. Chathumal; Removski, Nicole; Zhou, Wen; Gelfand, Benjamin S.; Maron, Laurent; Piers, Warren E.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5152 - 5162
a	25.3294 ± 0.0009 Å
b	25.3294 ± 0.0009 Å
c	25.1795 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	16154.6 ± 1.2 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291576 (current)	2024-05-05	cif/ Updating files of 1571025, 1571026, 1571027, 1571028, 1571029, 1571030, 1571031, 1571032, 1571033, 1571034, 1571035, 1571036, 1571037 Original log message: Adding full bibliography for 1571025--1571037.cif.	1571027.cif
289851	2024-02-17	cif/ Adding structures of 1571025, 1571026, 1571027, 1571028, 1571029, 1571030, 1571031, 1571032, 1571033, 1571034, 1571035, 1571036, 1571037 via cif-deposit CGI script.	1571027.cif