Crystallography Open Database

Information card for entry 4505908

Preview

Coordinates	4505908.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[tetra(2,2'-bipyridine-4,4'-diamine)(terepthalate)dicopper(II)] nitrate dimethylformamide clathrate hydrate
Formula	C61.5 H73.5 Cu2 N22.5 O15.5
Calculated formula	C61.5 H72 Cu2 N22.5 O15.5
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	15.1668 ± 0.0008 Å
b	15.4442 ± 0.0008 Å
c	17.4682 ± 0.001 Å
α	100.105 ± 0.002°
β	91.346 ± 0.002°
γ	119.165 ± 0.001°
Cell volume	3489.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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.	4505908.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505908.cif
57379	2012-05-18	cif/ Adding structures of 4505908 via cif-deposit CGI script.	4505908.cif