Crystallography Open Database

Information card for entry 4505907

Preview

Coordinates	4505907.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[tetra(2,2'-bipyridine-4,4'-diamine)(terepthalate)dicopper(II)] nitrate dimethylformamide clathrate
Formula	C63 H79 Cu2 N23 O15
Calculated formula	C63 H79 Cu2 N23 O15
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	13.494 ± 0.0011 Å
b	14.8619 ± 0.0012 Å
c	19.7828 ± 0.0016 Å
α	90°
β	97.864 ± 0.004°
γ	90°
Cell volume	3930.1 ± 0.6 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	0.0996
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.2243
Weighted residual factors for all reflections included in the refinement	0.2513
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179595 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/59.	4505907.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505907.cif
57377	2012-05-18	cif/ Adding structures of 4505907 via cif-deposit CGI script.	4505907.cif