Crystallography Open Database

Information card for entry 4500779

Preview

Coordinates	4500779.cif
Original paper (by DOI)	HTML

Structure parameters

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	52.27 ± 0.03 Å
b	5.618 ± 0.003 Å
c	8.091 ± 0.004 Å
α	90°
β	94.773 ± 0.006°
γ	90°
Cell volume	2368 ± 2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
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.	4500779.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500779.cif
34630	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500776, 4500777, 4500778, 4500779 via cif-deposit CGI script.	4500779.cif