Crystallography Open Database

Information card for entry 7027442

Preview

Coordinates	7027442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H59 O2 Sb
Calculated formula	C38 H59 O2 Sb
SMILES	[Sb](C(=O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=C(O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Compounds containing λ3,σ2-SbC bonds: synthesis and structural characterisation of the first stiba-enol, MesC(O)SbC(OH)Mes (Mes* = C6H2But3-2,4,6) and a 2,3-distibabutadiene, {Mes(Me3SiO)CSb}2 (Mes = C6H2Me3-2,4,6) †
Authors of publication	Jones, Cameron; Steed, Jonathan W.; Thomas, Ryan C.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	10
Pages of publication	1541
a	11.4906 ± 0.0002 Å
b	20.0826 ± 0.0004 Å
c	31.2742 ± 0.0005 Å
α	90°
β	90 ± 0.002°
γ	90°
Cell volume	7216.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179980 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/74.	7027442.cif
95380	2014-01-28	cif/ Adding structures of 7027441, 7027442 via cif-deposit CGI script.	7027442.cif