Crystallography Open Database

Information card for entry 1517220

Preview

Coordinates	1517220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Mn0.5 N O14 P3 Zn3
Calculated formula	C6 Mn0.5 N O14 P3 Zn3
Title of publication	Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material
Authors of publication	Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	11
Pages of publication	4237
a	9.4416 ± 0.0009 Å
b	9.5014 ± 0.0009 Å
c	9.8153 ± 0.0009 Å
α	107.922 ± 0.002°
β	91.314 ± 0.002°
γ	92.35 ± 0.002°
Cell volume	836.5 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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