Crystallography Open Database

Information card for entry 2022794

2022793 << 2022794 >> 2022795

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Coordinates	2022794.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Pentaaqua(3,5-dimethylpyridine-κ<i>N</i>)manganese(II) sulfate
Formula	C7 H19 Mn N O9 S
Calculated formula	C7 H19 Mn N O9 S
Title of publication	3,5-Lutidine pentaaqua sulfate complexes of first-row transition metals: [M(3,5-lutidine)(H2O)5]SO4, with M = Mn, Co, Ni, and Zn
Authors of publication	Golen, James A.; Manke, David R.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	7
a	17.1868 ± 0.0013 Å
b	7.1278 ± 0.0005 Å
c	11.4447 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1402.02 ± 0.17 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.15 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284695 (current)	2023-06-29	cif/ hkl/ Adding structures of 2022794, 2022795, 2022796, 2022797 via cif-deposit CGI script.	2022794.cif