Crystallography Open Database

Information card for entry 4505903

Preview

Coordinates	4505903.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(2,2'-bipyridine-4,4'-diamine)cadmium(II) chloride hydrate
Formula	C30 H35.5 Cd Cl2 N12 O2.75
Calculated formula	C30 H30 Cd Cl2 N12 O2.75
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	31.7204 ± 0.001 Å
b	31.7204 ± 0.001 Å
c	13.7906 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	13875.9 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
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.	4505903.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505903.cif
57370	2012-05-18	cif/ Adding structures of 4505903 via cif-deposit CGI script.	4505903.cif