Crystallography Open Database

Information card for entry 8107595

Preview

Coordinates	8107595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Co N2 Na O9 S
Calculated formula	C25 H27 Co N2 Na O9 S
SMILES	[Co]123[O]4[Na]56([O]1c1c([O]6C)cccc1C=[N]3CC[N]2=Cc1c4c([O]5C)ccc1)(OS(=O)(=O)c1ccc(O)cc1)[OH]C
Title of publication	The crystal structure of (4-hydroxybenzenesulfonate)-k1 O-6,6′-((1E,1′E)- (ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene)) bis(2-methoxyphenol)-κ2 N,N,μ 2 O,O,κ2 O, O)-(methanol)-cobalt(II) sodium(I), C25H27CoN2NaO9S
Authors of publication	Zhang, Shaoliang; Wang, Yanlan; Li, Shanshan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	899 - 901
a	12.8169 ± 0.0011 Å
b	7.9965 ± 0.0007 Å
c	25.597 ± 0.002 Å
α	90°
β	91.53 ± 0.002°
γ	90°
Cell volume	2622.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
286897 (current)	2023-10-11	cif/ Adding structures of 8107595 via cif-deposit CGI script.	8107595.cif