Crystallography Open Database

Information card for entry 4507502

Preview

Coordinates	4507502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 Cu2 N8 O8 S2
Calculated formula	C48 H44 Cu2 N8 O8 S2
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	12.2619 ± 0.0016 Å
b	13.8402 ± 0.0018 Å
c	15.549 ± 0.002 Å
α	68.296 ± 0.002°
β	79.036 ± 0.002°
γ	89.716 ± 0.002°
Cell volume	2400.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1787
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.16
Weighted residual factors for all reflections included in the refinement	0.2257
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
179611 (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 4/50/75.	4507502.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507502.cif
85543	2013-05-07	cif/ Adding structures of 4507497, 4507498, 4507499, 4507500, 4507501, 4507502, 4507503 via cif-deposit CGI script.	4507502.cif