Crystallography Open Database

Information card for entry 7111048

Preview

Coordinates	7111048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H72 K2 N4 O1.82 Si8 Zn2
Calculated formula	C24 H72 K2 N4 O1.833 Si8 Zn2
Title of publication	‘Inverse crown ether’ complexes extended to group 12 through the syntheses of [Na2Zn2(HMDS)4(O)] and [{K2Zn2(HMDS)4(O2)x(O)y}∞]
Authors of publication	Forbes, Glenn C.; Kennedy, Alan R.; Mulvey, Robert E.; Rowlings, René B.; Clegg, William; Liddle, Stephen T.; Wilson, Chick C.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	18
Pages of publication	1759
a	8.9898 ± 0.0004 Å
b	10.9763 ± 0.0005 Å
c	12.9529 ± 0.0006 Å
α	97.322 ± 0.002°
β	108.154 ± 0.002°
γ	101.162 ± 0.002°
Cell volume	1167.11 ± 0.09 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
180224 (current)	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 7/11/10.	7111048.cif
96183	2014-01-28	cif/ Adding structures of 7111046, 7111047, 7111048 via cif-deposit CGI script.	7111048.cif