Crystallography Open Database

Information card for entry 7054983

Preview

Coordinates	7054983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H78 Cl0.5 Mo6 N3.5 O19.5
Calculated formula	C35 H78 Cl0.5 Mo6 N3.5 O19.5
Title of publication	Nucleophilic substitution reaction for rational post-functionalization of polyoxometalates
Authors of publication	Li, Qiang; Zhang, Jin; Wang, Longsheng; Hao, Jian; Yin, Panchao; Wei, Yongge
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	2
Pages of publication	906
a	16.779 ± 0.003 Å
b	20.069 ± 0.004 Å
c	31.884 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10737 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.068
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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