Crystallography Open Database

Information card for entry 7058012

Preview

Coordinates	7058012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Cu N5 O12 Tb
Calculated formula	C19 H20 Cu N5 O12 Tb
Title of publication	A series of CuII‒LnIII complexes of an N2O3 donor asymmetric ligand and a possible CuII‒TbIII SMM candidate in no bias field
Authors of publication	Mahapatra, Prithwish; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Ghosh, Ashutosh
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	2
Pages of publication	634
a	11.121 ± 0.005 Å
b	14.24 ± 0.005 Å
c	16.074 ± 0.005 Å
α	90°
β	108.293 ± 0.005°
γ	90°
Cell volume	2416.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.072
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
224818 (current)	2019-11-08	cif/ Updating files of 7058012, 7058013, 7058014, 7058015 Original log message: Adding full bibliography for 7058012--7058015.cif.	7058012.cif
212389	2018-12-06	cif/ Adding structures of 7058012, 7058013, 7058014, 7058015 via cif-deposit CGI script.	7058012.cif