Crystallography Open Database

Information card for entry 7227307

Preview

Coordinates	7227307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H48 Mn Mo9 N5 O49 Sm
Calculated formula	C12 H10 Mn Mo9 N5 O49 Sm
Title of publication	Syntheses, structural characterization and photophysical properties of two series of rare-earth-isonicotinic-acid containing Waugh-type manganomolybdates
Authors of publication	Gong, Peijun; Li, Yanyan; Zhai, Cuiping; Luo, Jie; Tian, Xuemeng; Chen, Lijuan; Zhao, Junwei
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	834
a	19.0792 ± 0.0009 Å
b	22.8325 ± 0.001 Å
c	24.331 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	10599.2 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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