Crystallography Open Database

Information card for entry 7211074

Preview

Coordinates	7211074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H84 Cl4 N8 Ni O30
Calculated formula	C48 H84 Cl4 N8 Ni O30
Title of publication	Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties
Authors of publication	Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9655
a	17.576 ± 0.004 Å
b	14.207 ± 0.003 Å
c	25.869 ± 0.005 Å
α	90°
β	95.43 ± 0.03°
γ	90°
Cell volume	6431 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1746
Residual factor for significantly intense reflections	0.097
Weighted residual factors for significantly intense reflections	0.2335
Weighted residual factors for all reflections included in the refinement	0.2742
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180441 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/10.	7211074.cif
90199	2013-11-17	cif/ Adding structures of 7211071, 7211072, 7211073, 7211074, 7211075, 7211076, 7211077, 7211078 via cif-deposit CGI script.	7211074.cif