Crystallography Open Database

Information card for entry 4333168

Preview

Coordinates	4333168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H41 B Cl N7 S6
Calculated formula	C22.4497 H40.728 B Cl1.0708 N7 S6
Title of publication	Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains
Authors of publication	Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10998 - 11007
a	12.625 ± 0.003 Å
b	14.572 ± 0.003 Å
c	17.372 ± 0.004 Å
α	93.738 ± 0.003°
β	92.858 ± 0.003°
γ	92.297 ± 0.003°
Cell volume	3182.2 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333168.cif
98819	2014-01-30	cif/ Adding structures of 4333165, 4333166, 4333167, 4333168 via cif-deposit CGI script.	4333168.cif