Crystallography Open Database

Information card for entry 7711455

Preview

Coordinates	7711455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H68 Cl5 Cr Cu4 N12 O24
Calculated formula	C66 H59.332 Cl5 Cr Cu4 N12 O20
Title of publication	Oxalate-based [CuIICrIII] coordination compounds affected by the tridentate ligand, simple anion, and reactant ratio: structural and magnetic features
Authors of publication	Molčanov, Lidija; Šenjug, Pavla; Barišić, Dario; Pajić, Damir; Molčanov, Krešimir; Jurić, Marijana
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.7176 ± 0.0004 Å
b	15.2066 ± 0.0005 Å
c	20.0501 ± 0.0005 Å
α	81.878 ± 0.002°
β	78.234 ± 0.002°
γ	83.75 ± 0.003°
Cell volume	3745.1 ± 0.2 Å³
Cell temperature	159.9 ± 0.3 K
Ambient diffraction temperature	159.9 ± 0.3 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
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
278535 (current)	2022-10-12	cif/ Adding structures of 7711455, 7711456, 7711457, 7711458, 7711459, 7711460, 7711461 via cif-deposit CGI script.	7711455.cif