Crystallography Open Database

Information card for entry 8106316

Preview

Coordinates	8106316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Mn N4 O11
Calculated formula	C12 H16 Mn N4 O11
SMILES	[Mn]1(OC(=O)c2[n]1cn(c2C(=O)O)C)([OH2])([OH2])([OH2])OC(=O)c1ncn(c1C(=O)O)C
Title of publication	Hydrothemal synthesis and crystal structure of triaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2 N,O;κ1O)manganese(II), C12H16N4O11Mn
Authors of publication	Guang-Zhen, Liu; Meng-Zhen, Yan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	5
Pages of publication	835 - 836
a	7.7186 ± 0.0003 Å
b	9.8439 ± 0.0003 Å
c	11.6084 ± 0.0003 Å
α	104.288 ± 0.003°
β	94.024 ± 0.003°
γ	97.365 ± 0.003°
Cell volume	842.91 ± 0.05 Å³
Cell temperature	291.03 ± 0.1 K
Ambient diffraction temperature	291.03 ± 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	0.0346
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
279692 (current)	2022-12-05	cif/ Adding structures of 8106316 via cif-deposit CGI script.	8106316.cif