Crystallography Open Database

Information card for entry 7134380

Preview

Coordinates	7134380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H1332 Mo308 N14 Na12 O1519
Calculated formula	C28 Mo304.88 N8 O1102.4
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	30.4172 ± 0.0002 Å
b	34.0113 ± 0.0002 Å
c	46.8336 ± 0.0002 Å
α	93.901 ± 0.001°
β	94.711 ± 0.001°
γ	95.166 ± 0.001°
Cell volume	47951.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0722
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7134380.html