Crystallography Open Database

Information card for entry 4325880

Preview

Coordinates	4325880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 B4 F16 N9 O5 Zn2
Calculated formula	C23 H31 B4 F16 N9 O5 Zn2
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	7.6091 ± 0.0007 Å
b	14.2283 ± 0.0015 Å
c	18.693 ± 0.002 Å
α	111.154 ± 0.004°
β	91.646 ± 0.004°
γ	102.494 ± 0.004°
Cell volume	1830 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2286
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71069 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.	4325880.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325880.cif
46916	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325880 via cif-deposit CGI script.	4325880.cif