Crystallography Open Database

Information card for entry 7134865

Preview

Coordinates	7134865.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SUM-17
Formula	C21.8 H32.2 Cl2 N6.6 O8.6 Zr
Calculated formula	C20 H28 Cl2 N6 O8 Zr
Title of publication	Isomerism and transformation of Zr-hydroxamate metal-organic frameworks.
Authors of publication	Shao, Zhen-Wu; Qiu, Yuqing; Xiong, Chaozhi; Liu, Chong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	69
Pages of publication	12960 - 12963
a	25.7241 ± 0.0018 Å
b	38.687 ± 0.003 Å
c	17.6068 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	17522 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.2089
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
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/7134865.html