Crystallography Open Database

Information card for entry 8103259

Preview

Coordinates	8103259.cif

Structure parameters

Chemical name	Crystal structure of bis(<i>μ</i>~3~-Oxo)-Bis[<i>μ</i>~2~-benzofuran-2-carboxylato-<i>O</i>,\ <i>O</i>'] -Bis[<i>μ</i>~2~-benzofuran-2-carboxylato-<i>O</i>,<i>O</i>']-\ Octakis(<i>n</i>-butyl)-tetratin(IV)
Formula	C34 H46 O7 Sn2
Calculated formula	C34 H46 O7 Sn2
Title of publication	Crystal structure of bis[?2-benzofuran-2-carboxylato-O,O']-bis[?2-benzofuran-2-carboxylato-O]-octakis(n-butyl)-bis(?3-oxo)tetratin(IV), Sn4O2(C4H9)8(C9H5O3)4
Authors of publication	Chun-Ling Liu; Dong-Sheng Zhu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	642
a	10.5518 ± 0.0004 Å
b	12.2122 ± 0.0005 Å
c	13.6872 ± 0.0005 Å
α	100.414 ± 0.001°
β	94.248 ± 0.001°
γ	90.322 ± 0.001°
Cell volume	1729.6 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0264
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103259.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103259.cif
32601	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103259 via cif-deposit CGI script.	8103259.cif