Crystallography Open Database

Information card for entry 7230397

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Structure parameters

Formula	C36 H57 Mo12 O43 P S3
Calculated formula	C36 H57 Mo12 O43 P S3
Title of publication	Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety
Authors of publication	Kumar, Ashwani; Pradeep, Chullikkattil P.
Journal of publication	CrystEngComm
Year of publication	2018
a	12.4149 ± 0.0007 Å
b	12.6395 ± 0.0006 Å
c	23.2868 ± 0.0009 Å
α	95.806 ± 0.004°
β	95.886 ± 0.004°
γ	115.353 ± 0.005°
Cell volume	3241.7 ± 0.3 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.05
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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