Crystallography Open Database

Information card for entry 4500777

Preview

Coordinates	4500777.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dh17
Formula	C52 H42 O14 Zn5
Calculated formula	C52 H42 O14 Zn5
Title of publication	Unusual Hybrid Materials Prepared by the Oxidation of a Ketone
Authors of publication	Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	3013
a	48.786 ± 0.009 Å
b	5.6211 ± 0.0011 Å
c	16.53 ± 0.003 Å
α	90°
β	96.074 ± 0.003°
γ	90°
Cell volume	4507.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179538 (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 4/50/07.	4500777.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500777.cif
34630	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500776, 4500777, 4500778, 4500779 via cif-deposit CGI script.	4500777.cif