Crystallography Open Database

Information card for entry 7720731

7720730 << 7720731 >> 7720732

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Coordinates	7720731.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cu4-HCOO
Formula	C218 H214 Cu8 N12 O17 P8
Calculated formula	C215 H202.005 Cu8 N12 O14 P8
Title of publication	Construction of Bowl-Shaped Copper Clusters and Nitrate-Selective Sensing
Authors of publication	Huo, Nannan; Zhang, De-Ke; Wei, Yu-Zhen; Luo, Peng; Li, Si
Journal of publication	Dalton Transactions
Year of publication	2026
a	14.8024 ± 0.0002 Å
b	20.9403 ± 0.0003 Å
c	31.9803 ± 0.0004 Å
α	91.799 ± 0.001°
β	90.084 ± 0.001°
γ	94.367 ± 0.001°
Cell volume	9879.1 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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