Crystallography Open Database

Information card for entry 4507498

Preview

Coordinates	4507498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 Co N8 O14
Calculated formula	C44 H34 Co N8 O14
SMILES	c1c2c(C=[N]3[Co]45(O2)([O]=C(c2ccccc2)N3)[N](=Cc2cc(ccc2O4)/C=N/NC(=O)c2ccccc2)NC(c2ccccc2)=[O]5)cc(c1)/C=N/NC(=O)c1ccccc1.O.O.O.O.O.O.O.O
Title of publication	Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets
Authors of publication	Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1193
a	16.211 ± 0.003 Å
b	21.047 ± 0.004 Å
c	16.576 ± 0.004 Å
α	90°
β	107.906 ± 0.005°
γ	90°
Cell volume	5381.7 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1662
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	0.804
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507498.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507498.cif
85543	2013-05-07	cif/ Adding structures of 4507497, 4507498, 4507499, 4507500, 4507501, 4507502, 4507503 via cif-deposit CGI script.	4507498.cif