Crystallography Open Database

Information card for entry 7063923

Preview

Coordinates	7063923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H87 N18 Ni2 O83.5 P2 W18
Calculated formula	C36 H52 N18 Ni2 O66 P2 W18
Title of publication	Two Dawson-type polyoxometalate-based metal coordination polymers as heterogeneous catalysts for desulfurization
Authors of publication	Hao, Xiu-Li; Zhang, Chen-Hao; Feng, Chen-Kun; Su, Tian-Ru; Zhao, Mei-mei; Wen, Yan-Zhen
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	34
Pages of publication	14874 - 14881
a	14.3045 ± 0.0009 Å
b	25.6821 ± 0.0016 Å
c	14.4714 ± 0.0009 Å
α	90°
β	98.249 ± 0.006°
γ	90°
Cell volume	5261.3 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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