Crystallography Open Database

Information card for entry 4303635

Preview

Coordinates	4303635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Li N2 Ni O7 S
Calculated formula	C20 H19 Li N2 Ni O7 S
Title of publication	Salen-Based Infinite Coordination Polymers of Nickel and Copper
Authors of publication	Asamanjoy Bhunia; Peter W. Roesky; Yanhua Lan; George E. Kostakis; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10483 - 10485
a	16.234 ± 0.003 Å
b	8.1754 ± 0.0016 Å
c	16.328 ± 0.003 Å
α	90°
β	111.16 ± 0.03°
γ	90°
Cell volume	2020.9 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179074 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/36.	4303635.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303635.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303635.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303635.cif