Crystallography Open Database

Information card for entry 4304379

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Coordinates	4304379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Fe N2 O6
Calculated formula	C14 H12 Fe N2 O6
Title of publication	A Two-Dimensional Iron(II) Carboxylate Linear Chain Polymer that Exhibits a Metamagnetic Spin-Canted Antiferromagnetic to Single-Chain Magnetic Transition
Authors of publication	Yan-Zhen Zheng; Wei Xue; Ming-Liang Tong; Xiao-Ming Chen; Fernande Grandjean; Gary J. Long
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4077 - 4087
a	21.7021 ± 0.0018 Å
b	4.9098 ± 0.0004 Å
c	12.9067 ± 0.001 Å
α	90°
β	91.58 ± 0.002°
γ	90°
Cell volume	1374.72 ± 0.19 Å³
Cell temperature	288 ± 2 K
Ambient diffraction temperature	288 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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