Crystallography Open Database

Information card for entry 2312695

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Structure parameters

Chemical name	Poly[[bis(dimethylammonium) tri-μ-oxalato-sodium(I)iron(III)]–dimethylamine–water (3/1/1)]
Formula	C30 H49 Fe3 N6 Na3 O37
Calculated formula	C30 H49 Fe3 N6 Na3 O37
Title of publication	A novel layered structure of the heterometallic oxalate compound [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>2</sub>[NaFe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·0.33NH(CH<sub>3</sub>)<sub>2</sub>·0.33H<sub>2</sub>O: synthesis, crystal structure and thermal decomposition.
Authors of publication	Kherfi, Hamza; Benhacine, Mohamed Al Amine; Hamadene, Malika
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	12
a	12.6024 ± 0.0011 Å
b	17.6259 ± 0.0015 Å
c	46.236 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10270.3 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0861
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
296107 (current)	2024-11-26	cif/ hkl/ Adding structures of 2312695 via cif-deposit CGI script.	2312695.cif 2312695.hkl