Crystallography Open Database

Information card for entry 8106110

Preview

Coordinates	8106110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl Mn N2 O8
Calculated formula	C20 H24 Cl Mn N2 O8
SMILES	Cl(=O)(=O)(=O)[O-].[Mn]123(Oc4ccccc4C=[N]3[C@H]3[C@H]([N]1=Cc1c(cccc1)O2)CCCC3)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].[Mn]123(Oc4ccccc4C=[N]3[C@@H]3[C@@H]([N]1=Cc1c(cccc1)O2)CCCC3)([OH2])[OH2]
Title of publication	The crystal structure of diaqua-2,2′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenolato-κ4 N,N′,O,O′)manganese(III) perchlorate, C20H24MnClN2O4
Authors of publication	Ju, Hongping; Chen, Zihao; Qin, Jing; Lang, Yu; Ren, Yunhui; Li, Ping; Li, Nan; Zhou, Kaihua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	235 - 237
a	7.9912 ± 0.0008 Å
b	11.8174 ± 0.0009 Å
c	12.7781 ± 0.0015 Å
α	112.855 ± 0.009°
β	97.649 ± 0.009°
γ	91.215 ± 0.007°
Cell volume	1098.6 ± 0.2 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
279314 (current)	2022-11-16	cif/ Adding structures of 8106110 via cif-deposit CGI script.	8106110.cif