Crystallography Open Database

Information card for entry 7027770

Preview

Coordinates	7027770.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Potassium-[18]crown-6-Salt of Nonaplumbide(4-)
Formula	C28.5 H56 K2 N O12 Pb4.5
Calculated formula	C28.5 H44 K2 N O12 Pb4.5
Title of publication	Novel synthetic route to soluble polyanions: synthesis and crystal structure of [K(18-crown-6)]4[Pb9]·en·tol †
Authors of publication	Fässler, Thomas F.; Hoffmann, Rudolf
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	19
Pages of publication	3339
a	14.618 ± 0.002 Å
b	14.771 ± 0.002 Å
c	21.583 ± 0.003 Å
α	90°
β	108.13 ± 0.03°
γ	90°
Cell volume	4428.9 ± 1.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	0.92
Diffraction radiation wavelength	0.71079 Å
Diffraction radiation type	MoK/a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179983 (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 7/02/77.	7027770.cif
132627	2015-03-03	cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/.	7027770.cif
95760	2014-01-28	cif/ Adding structures of 7027770 via cif-deposit CGI script.	7027770.cif