Crystallography Open Database

Information card for entry 4320053

4320052 << 4320053 >> 4320054

Preview

Coordinates	4320053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 O4 Sn
Calculated formula	C14 H10 O4 Sn
SMILES	[Sn]12(OC3=CC=CC=CC3=[O]1)OC1=CC=CC=CC1=[O]2
Title of publication	Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2
Authors of publication	Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4384 - 4388
a	7.4934 ± 0.0007 Å
b	7.5027 ± 0.001 Å
c	12.026 ± 0.002 Å
α	78.14 ± 0.006°
β	84.493 ± 0.006°
γ	74.096 ± 0.005°
Cell volume	635.78 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2524
Weighted residual factors for all reflections included in the refinement	0.255
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179303 (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 4/32/00.	4320053.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320053.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320053.cif
16898	2011-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4320053 via cif-deposit CGI script.	4320053.cif