Crystallography Open Database

Information card for entry 7062560

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Coordinates	7062560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Br Cu N6 S2
Calculated formula	C42 H40 Br Cu N4 S2
Title of publication	Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry
Authors of publication	Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	32
Pages of publication	15027 - 15035
a	28.07 ± 0.016 Å
b	10.219 ± 0.005 Å
c	14.185 ± 0.008 Å
α	90°
β	114.84 ± 0.03°
γ	90°
Cell volume	3692 ± 4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
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	0.0983
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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