Crystallography Open Database

Information card for entry 7059420

Preview

Coordinates	7059420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H25 Cl3 Cu N3 Na3 O17
Calculated formula	C11 H25 Cl3 Cu N3 Na3 O17
Title of publication	Synthesis and spectroscopic characterization of ternary copper(ii) complexes containing nitrogen and oxygen donors as functional mimics of catechol oxidase and phenoxazinone synthase
Authors of publication	Ramadan, Abd El-Motaleb M.; Shaban, Shaban Y.; Ibrahim, Mohamed M.; Abdel-Rahman, Adel A.-H.; Sallam, Shehab A.; Al-Harbi, Sami A.; Omar, Walid
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	16
Pages of publication	6331 - 6345
a	8.355 ± 0.0017 Å
b	19.633 ± 0.0039 Å
c	30.829 ± 0.0062 Å
α	90°
β	90°
γ	90°
Cell volume	5057 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
257776 (current)	2020-10-06	cif/ Updating files of 7059420 Original log message: Adding full bibliography for 7059420.cif.	7059420.cif
251690	2020-05-05	cif/ Updating files of 7059420 Original log message: Adding full bibliography for 7059420.cif.	7059420.cif
249565	2020-03-20	cif/ Adding structures of 7059420 via cif-deposit CGI script.	7059420.cif