Crystallography Open Database

Information card for entry 7251836

Preview

Coordinates	7251836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H250 Ge4 K4.5 N18.5 Na O223 S4 Ti12 W36 Zr4
Calculated formula	C23 H88 Ge4 K4.5 N10.5 Na O188 S4 Ti12 W36 Zr4
Title of publication	Sulfate-modified TiIV–ZrIV-heterometallic germanotungstate used for catalyzing the Knoevenagel condensation reaction
Authors of publication	Gong, Peijun; Li, Hailou; Zhao, Junwei; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	18
Pages of publication	2979 - 2986
a	20.8839 ± 0.0014 Å
b	24.4799 ± 0.0015 Å
c	25.2479 ± 0.0018 Å
α	88.621 ± 0.002°
β	79.799 ± 0.002°
γ	70.358 ± 0.002°
Cell volume	11955.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	11
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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