Crystallography Open Database

Information card for entry 7058889

Preview

Coordinates	7058889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H166 Cu4 N10 O52 Si W12
Calculated formula	C136 H152 Cu4 N8 O48 Si W12
Title of publication	Calix[4]arene-based polyoxometalate organic‒inorganic hybrid and coordination polymer as heterogeneous catalysts for azide‒alkyne cycloaddition and Knoevenagel condensation reaction
Authors of publication	Yue, Liu-Juan; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	40
Pages of publication	15871
a	11.9741 ± 0.0006 Å
b	12.1625 ± 0.0008 Å
c	28.3572 ± 0.0014 Å
α	85.192 ± 0.005°
β	88.211 ± 0.004°
γ	72.49 ± 0.005°
Cell volume	3924.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2397
Weighted residual factors for all reflections included in the refinement	0.2706
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219351 (current)	2019-10-15	cif/ Adding structures of 7058889, 7058890 via cif-deposit CGI script.	7058889.cif