Crystallography Open Database

Information card for entry 7237185

Preview

Coordinates	7237185.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate
Chemical name	hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate
Formula	C14 H22 Mn N16 O24
Calculated formula	C14 H22 Mn N16 O24
Title of publication	Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Authors of publication	Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	33
Pages of publication	16257
a	14.8973 ± 0.0009 Å
b	5.0185 ± 0.0002 Å
c	20.4159 ± 0.001 Å
α	90°
β	103.628 ± 0.005°
γ	90°
Cell volume	1483.36 ± 0.13 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
237469 (current)	2019-11-24	cif/ Adding structures of 7237167, 7237168, 7237169, 7237170, 7237171, 7237172, 7237173, 7237174, 7237175, 7237176, 7237177, 7237178, 7237179, 7237180, 7237181, 7237182, 7237183, 7237184, 7237185, 7237186 via cif-deposit CGI script.	7237185.cif