Crystallography Open Database

Information card for entry 4509245

Preview

Coordinates	4509245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.5 H20 N2 Ni O3.5
Calculated formula	C17.5 H20 N2 Ni O3.5
Title of publication	Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms
Authors of publication	Siegler, Maxime A.; Lutz, Martin
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	2
Pages of publication	1194
a	18.3435 ± 0.0005 Å
b	6.7923 ± 0.0002 Å
c	26.7611 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3334.29 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4509245.cif
97176	2014-01-29	cif/ Adding structures of 4509240, 4509241, 4509242, 4509243, 4509244, 4509245 via cif-deposit CGI script.	4509245.cif