Crystallography Open Database

Information card for entry 4500776

Preview

Coordinates	4500776.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DH74
Formula	C29 H24 O6 Zn
Calculated formula	C29 H24 O6 Zn
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	8.0336 ± 0.0011 Å
b	5.5785 ± 0.0007 Å
c	51.75 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2319.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
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.	4500776.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500776.cif
34630	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500776, 4500777, 4500778, 4500779 via cif-deposit CGI script.	4500776.cif