Crystallography Open Database

Information card for entry 7134381

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Coordinates	7134381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H595 Mo154 N6 Na11 O730
Calculated formula	C25.2 Mo154 N4.6 Na7.1 O654
Title of publication	Robotic exploration of amino-acid functionalised molybdenum blue polyoxometalate nanoclusters
Authors of publication	Guo, Haiyang; He, Donglin; Long, De-Liang; Cronin, Leroy
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	39
Pages of publication	7121 - 7124
a	30.3874 ± 0.0001 Å
b	56.1686 ± 0.0002 Å
c	50.1012 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	85513.6 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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