Crystallography Open Database

Information card for entry 7716267

Preview

Coordinates	7716267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Cl Cu N4 S
Calculated formula	C7 H8 Cl Cu N4 S
Title of publication	A novel Cu(I)-based coordination polymer for efficient photocatalytic oxidation of C(sp<sup>3</sup>)-H bonds.
Authors of publication	Deng, Jiangtao; Huang, Huilin; Li, Zhentao; Jing, Xu; Duan, Chunying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	24
Pages of publication	10055 - 10059
a	11.146 ± 0.003 Å
b	12.159 ± 0.003 Å
c	7.2164 ± 0.0018 Å
α	90°
β	95.414 ± 0.009°
γ	90°
Cell volume	973.6 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1404
Residual factor for significantly intense reflections	0.1373
Weighted residual factors for significantly intense reflections	0.3498
Weighted residual factors for all reflections included in the refinement	0.3521
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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