Crystallography Open Database

Information card for entry 7249260

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Coordinates	7249260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H132 Cu10 I12 Mo2 N18 O6 S8
Calculated formula	C54 H90 Cu10 I12 Mo2 N12 S8
Title of publication	Coordination polymers and supramolecular cages based on [(MS4)Cux]x−2 cluster units and N-containing ligands
Authors of publication	Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhen-Zhong
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	39
Pages of publication	5585 - 5590
a	11.839 ± 0.0007 Å
b	13.8931 ± 0.0008 Å
c	21.9722 ± 0.0014 Å
α	82.885 ± 0.004°
β	77.181 ± 0.004°
γ	89.955 ± 0.003°
Cell volume	3495.5 ± 0.4 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.2435
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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