Crystallography Open Database

Information card for entry 7133609

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Coordinates	7133609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H68 Br8 N12 S4 Zn4
Calculated formula	C60 H68 Br8 N12 S4 Zn4
Title of publication	Redox-enabled cooperative catalysis by activating secondary alcohols using low-valent Zn complexes
Authors of publication	Samanta, Arup; Chaubey, Amit; Pal, Debjyoti; Majhi, Krishna; Srimani, Dipankar
Journal of publication	Chemical Communications
Year of publication	2024
a	7.58 ± 0.0018 Å
b	12.603 ± 0.003 Å
c	19.172 ± 0.005 Å
α	90°
β	92.335 ± 0.007°
γ	90°
Cell volume	1830 ± 0.8 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 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	0.0792
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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