Crystallography Open Database

Information card for entry 1571026

Preview

Coordinates	1571026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45.01 B2 Li N9 O1.5
Calculated formula	C38 H44.996 B2 Li N9 O1.498
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	9.4559 ± 0.0002 Å
b	13.3234 ± 0.0002 Å
c	15.6012 ± 0.0004 Å
α	105.885 ± 0.001°
β	98.659 ± 0.002°
γ	93.937 ± 0.002°
Cell volume	1856.39 ± 0.07 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	1571026.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.	1571026.cif