Crystallography Open Database

Information card for entry 7113527

Preview

Coordinates	7113527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 K N3 Sb
Calculated formula	C27 H41 K N3 Sb
SMILES	[Sb-]1c2c(C=C1c1cc(cc(c1)C)C)cc(cc2C)C.[K]12[N](C)(C)CC[N]1(C)CC[N]2(C)C
Title of publication	Synthesis of a stibindolyl anion from trimesitylantimony and potassium
Authors of publication	Breunig, Hans Joachim; Ghesner, Mihaiela Emilia; Lork, Enno
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	2
Pages of publication	274 - 275
a	23.681 ± 0.005 Å
b	9.641 ± 0.002 Å
c	13.243 ± 0.003 Å
α	90°
β	105.79 ± 0.03°
γ	90°
Cell volume	2909.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103940
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210526 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7103940, 7113527. Marking entry 7113527 as a duplicate of entry 7103940.	7113527.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113527.cif
115112	2014-06-02	cif/ Adding structures of 7113527 via cif-deposit CGI script.	7113527.cif