Crystallography Open Database

Information card for entry 8107592

Preview

Coordinates	8107592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Mg N4 O6
Calculated formula	C22 H18 Mg N4 O6
SMILES	[Mg]1234(OC(=O)c5[n]2c(c2[n]1cccc2)ccc5)OC(=O)c1[n]4c(c2[n]3cccc2)ccc1.O.O
Title of publication	The crystal structure of [bis(2,2′-bipyridine-6-carboxylato-κ 3 N,N,O)magnesium(II)]dihydrate, C22H18N4O6Mg
Authors of publication	Xi-Shi, Tai; Hong-Chang, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	887 - 889
a	15.3055 ± 0.0002 Å
b	15.1214 ± 0.0002 Å
c	18.1048 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4190.19 ± 0.09 Å³
Cell temperature	296.72 ± 0.1 K
Ambient diffraction temperature	296.72 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286873 (current)	2023-10-10	cif/ Adding structures of 8107592 via cif-deposit CGI script.	8107592.cif