Crystallography Open Database

Information card for entry 7713970

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Coordinates	7713970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Br Cu N S4
Calculated formula	C24 H23 Br Cu N S4
Title of publication	Solvatochromic behaviour of cyclic dithioether-functionalized triphenylamine ligands and their mechano-responsive Cu(I) coordination polymers
Authors of publication	Pandey, Dilip; Singh, Gopal; Mishra, Shivendu; Viau, Lydie; Knorr, Michael; Raghuvanshi, Abhinav
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.1864 ± 0.0005 Å
b	10.4799 ± 0.001 Å
c	13.0998 ± 0.001 Å
α	99.642 ± 0.007°
β	103.11 ± 0.005°
γ	97.023 ± 0.006°
Cell volume	1193.94 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0673
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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