Crystallography Open Database

Information card for entry 7714963

Preview

Coordinates	7714963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Co N10 O4 S2
Calculated formula	C32 H26 Co N10 O4 S2
SMILES	[Co]123([n]4c(N1S(=O)(=O)c1ccc(N)cc1)nccc4)([n]1c(N2S(=O)(=O)c2ccc(N)cc2)nccc1)[n]1cccc2c1c1[n]3cccc1cc2
Title of publication	Spin canting and slow magnetic relaxation in mononuclear cobalt(II) sulfadiazine ternary complexes.
Authors of publication	Villa-Pérez, Cristian; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J; Seco, José Manuel; Cepeda, Javier; Echeverría, Gustavo Alberto; Soria, Delia Beatriz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3254 - 3266
a	11.1595 ± 0.0007 Å
b	17.8542 ± 0.0011 Å
c	16.0849 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3204.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
290186 (current)	2024-03-04	cif/ Updating files of 7714962, 7714963, 7714964 Original log message: Adding full bibliography for 7714962--7714964.cif.	7714963.cif
288992	2024-01-10	cif/ Adding structures of 7714962, 7714963, 7714964 via cif-deposit CGI script.	7714963.cif