Crystallography Open Database

Information card for entry 8102519

Preview

Coordinates	8102519.cif

Structure parameters

Chemical name	di [(4-tert-butyl benzoato-<i>k</i>^2^ <i>O</i>, <i>O′</i>) (4-tert-butyl benzoato-<i>k O</i>)]lead(IV)
Formula	C44 H52 O8 Pb
Calculated formula	C44 H52 O8 Pb
Title of publication	Crystal structure of bis[(4-tert-butylbenzoato-k2O,O)-(4-tert-butylbenzoato-kO)]lead(IV), Pb[(CH3)3CC6H4COO]4
Authors of publication	Jian-Tong Li; Juan Yang; Jun Dai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	582
a	8.2175 ± 0.0008 Å
b	14.9222 ± 0.0014 Å
c	18.1639 ± 0.0017 Å
α	100.643 ± 0.001°
β	94.822 ± 0.001°
γ	98.78 ± 0.001°
Cell volume	2148.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0475
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	8102519.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102519.cif
13258	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102519 via cif-deposit CGI script.	8102519.cif