Crystallography Open Database

Information card for entry 7133249

Preview

Coordinates	7133249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H290 Cu48 N16 O189 P16 S20
Calculated formula	C144 H290 Cu48 N16 O189 P16 S20
Title of publication	Cu12-cluster-based metal-organic framework as a metastable intermediate in the formation of a layered copper phosphonate
Authors of publication	Qian, Teng; Gao, Ran; Bao, Song-Song; Zheng, Li-Min
Journal of publication	Chemical Communications
Year of publication	2024
a	32.3485 ± 0.001 Å
b	19.7547 ± 0.0005 Å
c	32.5262 ± 0.0009 Å
α	90°
β	112.66 ± 0.001°
γ	90°
Cell volume	19180.9 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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/7133249.html