Crystallography Open Database

Information card for entry 1561631

Preview

Coordinates	1561631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Mn Mo4 N8 O13
Calculated formula	C40 H28 Mn Mo4 N8 O13
Title of publication	Six new inorganic‒organic hybrids based on rigid triangular ligands: Syntheses, structures and properties
Authors of publication	Li, Na; Huang, Rudan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	233
Pages of publication	320 - 328
a	9.0268 ± 0.0008 Å
b	15.4589 ± 0.0012 Å
c	16.1191 ± 0.0014 Å
α	115.883 ± 0.002°
β	102.685 ± 0.001°
γ	93.478 ± 0.001°
Cell volume	1942.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1883
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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