Crystallography Open Database

Information card for entry 1570619

Preview

Coordinates	1570619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.39 H4.36 Mn0.12 N0.36 O0.24
Calculated formula	C3.39394 H4.36364 Mn0.121212 N0.363636 O0.242424
Title of publication	Untangling ancillary ligand donation <i>versus</i> locus of oxidation effects on metal nitride reactivity.
Authors of publication	Mahato, Samyadeb; VandeVen, Warren; MacNeil, Gregory A.; Pulfer, Jason M.; Storr, Tim
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	6
Pages of publication	2211 - 2220
a	13.155 ± 0.003 Å
b	12.7828 ± 0.001 Å
c	15.378 ± 0.002 Å
α	90°
β	100.227 ± 0.013°
γ	90°
Cell volume	2544.8 ± 0.7 Å³
Cell temperature	298.14 K
Ambient diffraction temperature	298.14 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290120 (current)	2024-03-04	cif/ Updating files of 1570619 Original log message: Adding full bibliography for 1570619.cif.	1570619.cif
288611	2024-01-03	cif/ Adding structures of 1570619 via cif-deposit CGI script.	1570619.cif