Crystallography Open Database

Information card for entry 4310994

Preview

Coordinates	4310994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H51 Al Bi2 O24
Calculated formula	C57 H51 Al Bi2 O24
SMILES	[Al]123([O]=C(C)C=C(C)O1)([O]=C(C)C=C(C)O2)[O]=C(C)C=C(C)O3.[Bi]123([O]=C(c4c(cccc4)O)O1)([O]=C(c1c(cccc1)O)O2)[O]=C(c1c(cccc1)O)O3.[Bi]123(OC(=[O]1)c1c(cccc1)O)(OC(=[O]2)c1c(cccc1)O)OC(=[O]3)c1c(cccc1)O
Title of publication	Toward a General Strategy for the Synthesis of Heterobimetallic Coordination Complexes for Use as Precursors to Metal Oxide Materials: Synthesis, Characterization, and Thermal Decomposition of Bi2(Hsal)6.M(Acac)3 (M = Al, Co, V, Fe, Cr)
Authors of publication	John H. Thurston; Daniel Trahan; Teyeb Ould-Ely; Kenton H. Whitmire
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3299 - 3305
a	19.391 ± 0.003 Å
b	19.391 ± 0.003 Å
c	26.708 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	8697 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1302
Residual factor for significantly intense reflections	0.1058
Weighted residual factors for significantly intense reflections	0.3079
Weighted residual factors for all reflections included in the refinement	0.3234
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
179148 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/09.	4310994.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310994.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310994.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4310994.cif
2486	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310994 via cif-deposit CGI script.	4310994.cif