Crystallography Open Database

Information card for entry 7215696

Preview

Coordinates	7215696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Mn N2 O5
Calculated formula	C12 H8 Mn N2 O5
Title of publication	Syntheses of two coordination polymers with rutile-type topology and the single-crystal-to-single-crystal transformation of Mg(ii) complex induced by methanol
Authors of publication	He, Yuan-Chun; Guo, Jiao; Zhang, Hong-Mei; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	20
Pages of publication	4210
a	9.9165 ± 0.0006 Å
b	13.0528 ± 0.0007 Å
c	10.9693 ± 0.0007 Å
α	90°
β	101.633 ± 0.006°
γ	90°
Cell volume	1390.68 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.2182
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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