Crystallography Open Database

Information card for entry 7242693

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Coordinates	7242693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H45 Cl6 Cu11 I5 N12 S6
Calculated formula	C39 H44 Cl6 Cu11 I5 N12 S6
Title of publication	Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls
Authors of publication	Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	25
Pages of publication	14899 - 14904
a	28.313 ± 0.003 Å
b	15.0425 ± 0.0014 Å
c	20.956 ± 0.002 Å
α	90°
β	124.589 ± 0.003°
γ	90°
Cell volume	7347.6 ± 1.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.227
Weighted residual factors for all reflections included in the refinement	0.2477
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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