Crystallography Open Database

Information card for entry 7720727

7720726 << 7720727 >> 7720728

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Coordinates	7720727.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cu4-NO3
Formula	C112 H115 Cu4 N7 O11 P4
Calculated formula	C112 H115 Cu4 N7 O11 P4
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	16.5963 ± 0.0004 Å
b	16.5963 ± 0.0004 Å
c	21.9862 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5244.5 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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