Crystallography Open Database

Information card for entry 7714258

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Coordinates	7714258.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Moiras Complex A
Formula	C38 H40 Cu2 N4 O8 S2
Calculated formula	C38 H40 Cu2 N4 O8 S2
SMILES	[Cu]1234([O]=C(O[Cu]1([n]1c5ccccc5sc1N[C@H](c1ccccc1)C)([O]=C(O2)C)(OC(=[O]3)C)[O]=C(O4)C)C)[n]1c2ccccc2sc1N[C@H](c1ccccc1)C
Title of publication	Synthesis of a chiral dinuclear Cu(II)-benzothiazolamine complex: evidence of cuprophilic interaction in its structure, exploration of its electrochemical property, and catalytic performance.
Authors of publication	Ojo, Oluwarotimi Stephen; Sale, Halilu; Symes, Mark D.; Wilson, Claire
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.1971 ± 0.0004 Å
b	14.3001 ± 0.0005 Å
c	27.0785 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3948.6 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
287040 (current)	2023-10-20	cif/ Adding structures of 7714258 via cif-deposit CGI script.	7714258.cif