Crystallography Open Database

Information card for entry 8104764

Preview

Coordinates	8104764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Mn N4 O6
Calculated formula	C16 H22 Mn N4 O6
Title of publication	The crystal structure of bis(ethanol-kO)- bis(6-aminopicolinato-k2 N,O)manganese(II), C16H22O6N4Mn
Authors of publication	Xi-Shi, Tai; Li-Li, Zhang; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	551 - 552
a	7.4412 ± 0.0006 Å
b	8.2273 ± 0.0007 Å
c	8.6693 ± 0.0007 Å
α	72.516 ± 0.007°
β	76.827 ± 0.007°
γ	63.444 ± 0.009°
Cell volume	450.08 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273724 (current)	2022-03-16	cif/ Adding structures of 8104764 via cif-deposit CGI script.	8104764.cif