Crystallography Open Database

Information card for entry 7045141

Preview

Coordinates	7045141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Co N2 O4
Calculated formula	C28 H22 Co N2 O4
SMILES	c1(ccc2ccc3ccc(C)[n]4c3c2[n]1[Co]124([O]=C(c3ccccc3)O1)[O]=C(c1ccccc1)O2)C
Title of publication	Two polymorphic Co(ii) field-induced single-ion magnets with enormous angular distortion from the ideal octahedron.
Authors of publication	Nemec, I.; Herchel, R.; Trávníček, Z
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1614 - 1623
a	11.296 ± 0.0006 Å
b	15.9061 ± 0.0009 Å
c	13.4636 ± 0.0008 Å
α	90°
β	106.951 ± 0.006°
γ	90°
Cell volume	2314 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0558
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
229466 (current)	2019-11-17	cif/ Updating files of 7045141, 7045142 Original log message: Adding full bibliography for 7045141--7045142.cif.	7045141.cif
204477	2017-12-22	cif/ Adding structures of 7045141, 7045142 via cif-deposit CGI script.	7045141.cif