Crystallography Open Database

Information card for entry 4505909

Preview

Coordinates	4505909.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[tris(2,2'-bipyridine-4,4'-diamine)(nitrato)cobalt(II)] nitrate dimethylformamide clathrate
Formula	C53.5 H71.5 Co2 N24.5 O16.5
Calculated formula	C53.5 H71.5 Co2 N24.5 O16.5
Title of publication	Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks
Authors of publication	Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	1871
a	10.7038 ± 0.0007 Å
b	34.312 ± 0.002 Å
c	20.5328 ± 0.0011 Å
α	90°
β	103.605 ± 0.003°
γ	90°
Cell volume	7329.5 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1356
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2771
Weighted residual factors for all reflections included in the refinement	0.3102
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4505909.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505909.cif
57381	2012-05-18	cif/ Adding structures of 4505909 via cif-deposit CGI script.	4505909.cif