Crystallography Open Database

Information card for entry 7249261

Preview

Coordinates	7249261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H125 Br2 Cl8 Cu8 N12 O6 S14 W2
Calculated formula	C66 H125 Br2 Cl8 Cu8 N12 O6 S14 W2
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	11.3261 ± 0.0007 Å
b	13.5698 ± 0.0008 Å
c	33.11 ± 0.002 Å
α	90°
β	90.112 ± 0.003°
γ	90°
Cell volume	5088.8 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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