Crystallography Open Database

Information card for entry 7702977

Preview

Coordinates	7702977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H78 Cl2 Cu4 Mn2 N8 O26
Calculated formula	C82 H78 Cl2 Cu4 Mn2 N8 O26
Title of publication	Facile synthesis of a new Cu(ii) complex with an unsymmetrical ligand and its use as an O<sub>3</sub> donor metalloligand in the synthesis of Cu(ii)-Mn(ii) complexes: structures, magnetic properties, and catalytic oxidase activities.
Authors of publication	Dutta, Sabarni; Mayans, Júlia; Ghosh, Ashutosh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1276 - 1291
a	15.56 ± 0.002 Å
b	8.5983 ± 0.0013 Å
c	31.676 ± 0.005 Å
α	90°
β	103.136 ± 0.003°
γ	90°
Cell volume	4127 ± 1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
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	0.1214
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1248
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247713 (current)	2020-02-04	cif/ Updating files of 7702975, 7702976, 7702977, 7702978 Original log message: Adding full bibliography for 7702975--7702978.cif.	7702977.cif
245296	2019-12-18	cif/ Adding structures of 7702975, 7702976, 7702977, 7702978 via cif-deposit CGI script.	7702977.cif