Crystallography Open Database

Information card for entry 4325884

Preview

Coordinates	4325884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H96 Cl8 Cu0 N32 O40 Pb4
Calculated formula	C84 H96 Cl8 N32 O40 Pb4
Title of publication	Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes
Authors of publication	Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7637 - 7649
a	27.9354 ± 0.0013 Å
b	27.9354 ± 0.0013 Å
c	15.2254 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	11881.7 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325884.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325884.cif
46920	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325884 via cif-deposit CGI script.	4325884.cif