Crystallography Open Database

Information card for entry 7242155

Preview

Coordinates	7242155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 N10 Ni2 O6
Calculated formula	C27 H44 N10 Ni2 O6
Title of publication	Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction
Authors of publication	Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	9
Pages of publication	1942 - 1952
a	11.7035 ± 0.0003 Å
b	11.3841 ± 0.0003 Å
c	25.252 ± 0.0007 Å
α	90°
β	94.194 ± 0.001°
γ	90°
Cell volume	3355.41 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
263727 (current)	2021-04-05	cif/ Updating files of 7242155, 7242156 Original log message: Adding full bibliography for 7242155--7242156.cif.	7242155.cif
261163	2021-01-23	cif/ Adding structures of 7242155, 7242156 via cif-deposit CGI script.	7242155.cif