Crystallography Open Database

Information card for entry 7004335

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Coordinates	7004335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 Fe O5
Calculated formula	C3 H4 Fe O5
Title of publication	A neutral molecular-based layered magnet [Fe(C2O4)(CH3OH)]n exhibiting magnetic ordering at TN ≈ 23 K
Authors of publication	Zhang, Bin; Zhang, Yan; Zhang, Jinbiao; Li, Junchao; Zhu, Daoben
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	37
Pages of publication	5037 - 5040
a	9.5851 ± 0.0008 Å
b	6.0542 ± 0.0005 Å
c	9.5865 ± 0.0009 Å
α	90°
β	103.269 ± 0.003°
γ	90°
Cell volume	541.45 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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