Crystallography Open Database

Information card for entry 4302788

Preview

Coordinates	4302788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H68 Bi2 O24 Ta2
Calculated formula	C66 H68 Bi2 O24 Ta2
SMILES	[Bi]12(c3ccccc3)([O]=C3c4ccccc4O[Ta]4(Oc5c(cccc5)C(O[Bi]5(c6ccccc6)([O]=C6c7c(cccc7)O[Ta]7([O]=C(O2)c2c(cccc2)O7)(O6)(OCC)OCC)(OC(=[O]5)c2c(cccc2)O)[OH]CC)=[O]4)(O3)(OCC)OCC)(OC(=[O]1)c1c(cccc1)O)[OH]CC
Title of publication	Selective Arylation Reactions of Bismuth-Transition Metal Salicylate Complexes
Authors of publication	Vitalie Stavila; John H. Thurston; Kenton H. Whitmire
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6945 - 6951
a	13.121 ± 0.003 Å
b	19.459 ± 0.004 Å
c	14.121 ± 0.003 Å
α	90°
β	103.99 ± 0.03°
γ	90°
Cell volume	3498.5 ± 1.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179065 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/27.	4302788.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302788.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302788.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302788.cif