Crystallography Open Database

Information card for entry 1566122

Preview

Coordinates	1566122.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1580 M5 Ligand L2, H4Me2hybeb
Chemical name	1,2-bis(2-hydroxynaphthyl-3-carboxamido)-4,5-dimethylbenzene, (H4Me2hybeb)
Formula	C30 H24 N2 O4
Calculated formula	C30 H24 N2 O4
SMILES	Oc1cc2c(cc1C(=O)Nc1cc(C)c(C)cc1NC(=O)c1cc3c(cc1O)cccc3)cccc2
Title of publication	Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids
Authors of publication	Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt
Journal of publication	Comptes Rendus Chimie
Year of publication	2015
Journal volume	18
Journal issue	6
Pages of publication	654 - 661
a	27.3312 ± 0.0009 Å
b	12.3272 ± 0.0004 Å
c	17.8035 ± 0.0006 Å
α	90°
β	125.968 ± 0.002°
γ	90°
Cell volume	4854.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
272222 (current)	2022-01-25	cif/ Adding structures of 1566121, 1566122, 1566123 via cif-deposit CGI script.	1566122.cif