Crystallography Open Database

Information card for entry 4507499

Preview

Coordinates	4507499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H55 N11 Ni O10
Calculated formula	C53 H55 N11 Ni O10
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	12.84 ± 0.003 Å
b	13.386 ± 0.003 Å
c	18.77 ± 0.004 Å
α	71.71 ± 0.03°
β	84.54 ± 0.03°
γ	62.64 ± 0.03°
Cell volume	2715.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1604
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.2496
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.738 Å
Diffraction radiation type	synchrotron
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.	4507499.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507499.cif
85543	2013-05-07	cif/ Adding structures of 4507497, 4507498, 4507499, 4507500, 4507501, 4507502, 4507503 via cif-deposit CGI script.	4507499.cif