Crystallography Open Database

Information card for entry 1575138

Preview

Coordinates	1575138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H51 Cu7 O6
Calculated formula	C51 H51 Cu7 O6
Title of publication	<i>Tert</i>-butylacetylene copper cluster-based metal-organic frameworks exhibit hydrophobic properties.
Authors of publication	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	68
Pages of publication	12781 - 12784
a	20.018 ± 0.006 Å
b	20.018 ± 0.006 Å
c	32.569 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	13051 ± 7 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1396
Residual factor for significantly intense reflections	0.1022
Weighted residual factors for significantly intense reflections	0.2904
Weighted residual factors for all reflections included in the refinement	0.3318
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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/1575138.html