Crystallography Open Database

Information card for entry 8106877

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Coordinates	8106877.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl) benzenesulfonate)
Formula	C28 H40 Mn N6 O12 S2
Calculated formula	C28 H40 Mn N6 O12 S2
Title of publication	Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
Authors of publication	Oh, In-Hwan; Kim, Jee Yeon; Park, Seong-Hun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	369 - 371
a	6.211 ± 0.005 Å
b	7.146 ± 0.005 Å
c	38.895 ± 0.005 Å
α	90 ± 0.005°
β	91.283 ± 0.005°
γ	90 ± 0.005°
Cell volume	1725.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1585
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281734 (current)	2023-03-08	cif/ Adding structures of 8106877 via cif-deposit CGI script.	8106877.cif