Crystallography Open Database

Information card for entry 4324470

Preview

Coordinates	4324470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 Bi N4 O
Calculated formula	C28 H47 Bi N4 O
SMILES	[Bi]123(OC(C)(C)C)([N](Cc4c2c(ccc4)C[N]1(C)C)(C)C)[N](Cc1c3c(ccc1)CN(C)C)(C)C
Title of publication	Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation
Authors of publication	Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1513 - 1520
a	16.5591 ± 0.0009 Å
b	10.7987 ± 0.0006 Å
c	16.9911 ± 0.0009 Å
α	90°
β	94.578 ± 0.0007°
γ	90°
Cell volume	3028.6 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.018
Residual factor for significantly intense reflections	0.015
Weighted residual factors for significantly intense reflections	0.0344
Weighted residual factors for all reflections included in the refinement	0.0354
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324470.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4324470.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324470.cif
41178	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324470 via cif-deposit CGI script.	4324470.cif