Crystallography Open Database

Information card for entry 8107218

Preview

Coordinates	8107218.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[di-μ-hydroxidotetrakis(6-methylpyridine-2-carboxylato)-di-iron(III)]- hydrate
Formula	C28 H32 Fe2 N4 O13
Calculated formula	C28 H32 Fe2 N4 O13
Title of publication	Crystal structure of di-μ2-hydroxido-tetrakis(6-methylpyridine-2-carboxylato-k2 N,O) diiron(III) trihydrate C28H32Fe2N4O13
Authors of publication	Cui, Hong-Meng
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	5
Pages of publication	793 - 795
a	8.0964 ± 0.0003 Å
b	13.4889 ± 0.0005 Å
c	14.0543 ± 0.0005 Å
α	90°
β	95.19 ± 0.003°
γ	90°
Cell volume	1528.6 ± 0.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
283820 (current)	2023-05-17	cif/ Adding structures of 8107218 via cif-deposit CGI script.	8107218.cif