Crystallography Open Database

Information card for entry 4327902

Preview

Coordinates	4327902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H57 Mn5 N13 O19
Calculated formula	C41 H24 Mn5 N13 O19
Title of publication	Mn(II)-Based Porous Metal-Organic Framework Showing Metamagnetic Properties and High Hydrogen Adsorption at Low Pressure
Authors of publication	Zheng-Bo Han; Rui-Yun Lu; Yan-Fang Liang; Yan-Ling Zhou; Qing Chen; Ming-Hua Zeng
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	674 - 679
a	11.1053 ± 0.001 Å
b	12.5767 ± 0.0012 Å
c	20.0751 ± 0.0019 Å
α	82.84 ± 0.001°
β	77.765 ± 0.002°
γ	79.258 ± 0.001°
Cell volume	2681.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.2117
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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