Crystallography Open Database

Information card for entry 7064427

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Coordinates	7064427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C154 H208 Cu9 Mo36 N44 O183 P12 Sr2
Calculated formula	C154 H142 Cu9 Mo36 N44 O148 P12 Sr2
Title of publication	Unveiling the catalytic potency of copper-integrated [P6Mo18O73]n−-based complexes: structural basis and enhanced performance in selective oxidation of aromatic alcohol
Authors of publication	Zhang, Xiaoyan; Dou, Yanrui; Xu, Na; Tan, Hui; Wang, Xiuli
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	17
Pages of publication	7470 - 7479
a	17.8685 ± 0.0008 Å
b	20.0947 ± 0.0009 Å
c	42.1985 ± 0.0019 Å
α	97.054 ± 0.002°
β	100.416 ± 0.002°
γ	91.774 ± 0.002°
Cell volume	14767.4 ± 1.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.2011
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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