Crystallography Open Database

Information card for entry 7113226

Preview

Coordinates	7113226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl2 O7
Calculated formula	C16 H22 Cl2 O7
SMILES	[C@@]12([C@H]3[C@@H]([C@]([C@]4(C1=O)C[C@@H](CO4)OC)(C2(OC)OC)Cl)OC(C)(C)O3)Cl.[C@]12([C@@H]3[C@H]([C@@]([C@@]4(C1=O)C[C@H](CO4)OC)(C2(OC)OC)Cl)OC(C)(C)O3)Cl
Title of publication	Lead(IV) acetate: intriguing reactivity profile
Authors of publication	Khan, Faiz Ahmed; Sudheer, Ch.; Soma, Laxminarayana
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	41
Pages of publication	4239 - 4241
a	8.2163 ± 0.0007 Å
b	8.1296 ± 0.0007 Å
c	26.697 ± 0.002 Å
α	90°
β	94.502 ± 0.002°
γ	90°
Cell volume	1777.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.2155
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102221
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209674 (current)	2018-08-14	cif/7/ Updating bibliography in entries 7102219-7102223, 7113224-7113228. Marking entries 7113224-7113228 as duplicates of entries 7102219-7102223.	7113226.cif
180246	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/32.	7113226.cif
113393	2014-05-12	cif/ Adding structures of 7113224, 7113225, 7113226, 7113227, 7113228 via cif-deposit CGI script.	7113226.cif