Crystallography Open Database

Information card for entry 7249431

Preview

Coordinates	7249431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.92 H27.77 F3 Mn N4.92 O5.08 P S
Calculated formula	C31.924 H27.772 F3 Mn N4.924 O5.076 P S
Title of publication	Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand
Authors of publication	Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	43
Pages of publication	31502 - 31516
a	16.4795 ± 0.0002 Å
b	12.8391 ± 0.0002 Å
c	16.5133 ± 0.0003 Å
α	90°
β	111.481 ± 0.0018°
γ	90°
Cell volume	3251.22 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0262
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
295078 (current)	2024-10-06	cif/ Adding structures of 7249429, 7249430, 7249431, 7249432, 7249433, 7249434, 7249435 via cif-deposit CGI script.	7249431.cif