Crystallography Open Database

Information card for entry 7712763

Preview

Coordinates	7712763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C183 H225 Cl3 Cu12 Na2 O41 P6 S12
Calculated formula	C156 H162 Cl3 Cu12 Na2 O32 P6 S12
Title of publication	Atomically Accurate Structural Tailoring of Thiacalix[4]arene-Protected Copper(II)-Based Metallamacrocycles
Authors of publication	Liu, Chao; Mu, Wen-Lei; Wu, Linlin; Yu, Weidong; Yi, Xiao-Yi; Yan, Jun
Journal of publication	Dalton Transactions
Year of publication	2023
a	17.19 ± 0.003 Å
b	25.858 ± 0.006 Å
c	28.437 ± 0.006 Å
α	66.779 ± 0.006°
β	89.744 ± 0.005°
γ	77.581 ± 0.006°
Cell volume	11299 ± 4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1721
Residual factor for significantly intense reflections	0.1116
Weighted residual factors for significantly intense reflections	0.3018
Weighted residual factors for all reflections included in the refinement	0.3459
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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