Crystallography Open Database

Information card for entry 7239434

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Coordinates	7239434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H82 Mo6 N4 O19 S
Calculated formula	C40.997 H82 Mo6 N4 O19 S
Title of publication	Pristine organo-imido polyoxometalates as an anode for lithium ion batteries
Authors of publication	Nasim Khan, Rao Naumaan; Mahmood, Nasir; Lv, Chunlin; Sima, Guohui; Zhang, Jin; Hao, Jian; Hou, Yanglong; Wei, Yongge
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	15
Pages of publication	7374
a	12.6748 ± 0.0017 Å
b	12.7588 ± 0.0008 Å
c	19.564 ± 0.003 Å
α	72.332 ± 0.01°
β	72.079 ± 0.013°
γ	78.863 ± 0.008°
Cell volume	2850.9 ± 0.7 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0748
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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