Crystallography Open Database

Information card for entry 7217632

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Coordinates	7217632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Fe N2 O5
Calculated formula	C9 H6 Fe N2 O5
Title of publication	An alternative strategy to construct Fe(ii)-based MOFs with multifarious structures and magnetic behaviors
Authors of publication	Li, Qipeng; Tian, Chongbin; Zhang, Huabin; Qian, Jinjie; Du, Shaowu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	39
Pages of publication	9208
a	9.345 ± 0.009 Å
b	6.916 ± 0.004 Å
c	14.615 ± 0.009 Å
α	90°
β	104.44 ± 0.05°
γ	90°
Cell volume	914.7 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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