Crystallography Open Database

Information card for entry 8106283

Preview

Coordinates	8106283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Cl2 Fe N2 O2
Calculated formula	C4 H10 Cl2 Fe N2 O2
Title of publication	Crystal structure of bis(acetonitrile)-diaqua-dichloridoiron(II), C4H10Cl2N2O2Fe
Authors of publication	Zuo, Jian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	751 - 752
a	7.8501 ± 0.001 Å
b	7.8289 ± 0.001 Å
c	8.2974 ± 0.0017 Å
α	90°
β	97.84 ± 0.002°
γ	90°
Cell volume	505.17 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0676
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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