Crystallography Open Database

Information card for entry 7711585

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Coordinates	7711585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H160 Cu8 N8 O32 S16
Calculated formula	C88 H160 Cu8 N8 O32 S16
Title of publication	Supramolecular assembly and structural transformation of d10-metal complexes containing (aza-15-crown-5)dithiocarbamate
Authors of publication	Tzeng, Biing-Chiau; Wu, Chung-Lun; Hung, Jun-Wei; Chien, Su-Ying; Lee, Gene-Hsiang
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.0623 ± 0.0009 Å
b	13.8962 ± 0.001 Å
c	17.5548 ± 0.0012 Å
α	75.058 ± 0.002°
β	79.229 ± 0.002°
γ	74.115 ± 0.002°
Cell volume	2937.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0934
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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