Crystallography Open Database

Information card for entry 7248393

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Coordinates	7248393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H52 Co3 N16 O5
Calculated formula	C38 H48 Co3 N16 O4
SMILES	[Co]1234([O]5[Co]6([O]7[Co]89([O]6c6c(C[NH]9CC(C[NH]8Cc8c7cccc8)(C)C)cccc6)(N=N#[N]4)N=N#N)([O]1c1c(C[NH]3CC(C[NH]2Cc2c5cccc2)(C)C)cccc1)N=N#N)N=N#N
Title of publication	Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes
Authors of publication	Bhunia, Sudip; Das, Mainak; Banerjee, Snehasis; Drew, Michael. G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	16
Pages of publication	11185 - 11196
a	21.066 ± 0.008 Å
b	12.519 ± 0.007 Å
c	17.232 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	4545 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.0454
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
291142 (current)	2024-04-09	cif/ Adding structures of 7248393 via cif-deposit CGI script.	7248393.cif