Crystallography Open Database

Information card for entry 8105025

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Coordinates	8105025.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Magnesium (II) 4-[[(4-dimethylamino)phenyl]-azo]benzenesulfonate hexahydrate
Formula	C28 H40 Mg N6 O12 S2
Calculated formula	C28 H40 Mg N6 O12 S2
Title of publication	Crystal structure of hexaaquamagnesium(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MgN6O12S2
Authors of publication	Park, Garam; Oh, In-Hwan; Park, Seong-Hun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	85 - 86
a	6.1988 ± 0.0003 Å
b	7.1103 ± 0.0004 Å
c	38.7135 ± 0.0004 Å
α	90°
β	91.519 ± 0.003°
γ	90°
Cell volume	1705.71 ± 0.13 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0884
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for significantly intense reflections	1.39
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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
274337 (current)	2022-04-05	cif/ Adding structures of 8105025 via cif-deposit CGI script.	8105025.cif