Crystallography Open Database

Information card for entry 4512131

Preview

Coordinates	4512131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 Co N5 O2
Calculated formula	C21 H25 Co N5 O2
Title of publication	Exploiting the Pyrazole-Carboxylate Mixed Ligand System in the Crystal Engineering of Coordination Polymers
Authors of publication	Hawes, Chris S.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.; Turner, David R.; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	5749
a	10.954 ± 0.002 Å
b	13.013 ± 0.003 Å
c	14.968 ± 0.003 Å
α	90°
β	104 ± 0.03°
γ	90°
Cell volume	2070.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0775
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512131.cif
126844	2014-11-11	cif/ Updating files of 4512129, 4512130, 4512131, 4512132, 4512133, 4512134, 4512135 Original log message: Adding full bibliography for 4512129--4512135.cif.	4512131.cif
125213	2014-10-10	cif/ Adding structures of 4512129, 4512130, 4512131, 4512132, 4512133, 4512134, 4512135 via cif-deposit CGI script.	4512131.cif