Crystallography Open Database

Information card for entry 7064416

Preview

Coordinates	7064416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Br Mn N4 O3
Calculated formula	C12 H12 Br Mn N4 O3
Title of publication	Aminoazine-Based Unsymmetric Multidentate Ligands in Mn(II & I) Complexes and Application in Hydrophosphination Reactions
Authors of publication	Wani, Aabid; Bhujbal, Shivkanya Madhavrao; Mehta, Kriti; Chourasiya, Sumit S.; Kathuria, Deepika; Grützmacher, Hansjörg; Wörle, Michael; Bharatam, Prasad V.
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	10.517 ± 0.0001 Å
b	9.9816 ± 0.0001 Å
c	14.6377 ± 0.0001 Å
α	90°
β	90.859 ± 0.001°
γ	90°
Cell volume	1536.44 ± 0.02 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
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	0.0237
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306061 (current)	2026-05-22	cif/ Adding structures of 7064414, 7064415, 7064416 via cif-deposit CGI script.	7064416.cif