Crystallography Open Database

Information card for entry 7063846

Preview

Coordinates	7063846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H88 Cu4 N4 P4 S4
Calculated formula	C52 H88 Cu4 N4 P4 S4
Title of publication	Tetranuclear thiocyanato-bridged copper(I) catalyst for the hydrogenation of Carbon Dioxide to formate under mild conditions
Authors of publication	Trivedi, Manoj; Sharma, Sahil; Sharma, Raj Kishore; Kumar, Girijesh; Rath, Nigam
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	27
Pages of publication	11607 - 11613
a	12.043 ± 0.002 Å
b	16.059 ± 0.003 Å
c	16.711 ± 0.003 Å
α	90°
β	106.88 ± 0.03°
γ	90°
Cell volume	3092.6 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2113
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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