Crystallography Open Database

Information card for entry 1519350

1519349 << 1519350 >> 1519351

Preview

Coordinates	1519350.cif

Structure parameters

Formula	C18 H51 Na3 O15 Si3
Calculated formula	C18 H51 Na3 O15 Si3
SMILES	[Si]1([O-])(O[Si]([O-])(O[Si]([O-])(O1)C1CCCCC1)C1CCCCC1)C1CCCCC1.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O
Title of publication	C36H102Na6O30Si6
Authors of publication	Taylor, Peter. G.; Gelbrich, Thomas; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	826
a	9.1615 ± 0.0001 Å
b	10.1143 ± 0.0002 Å
c	18.1371 ± 0.0005 Å
α	88.586 ± 0.001°
β	80.238 ± 0.001°
γ	70.995 ± 0.002°
Cell volume	1565.16 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183088 (current)	2016-05-24	cif/1 Fixing a few Z values and formulae	1519350.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519350.cif
135701	2015-05-07	cif/ Adding structures of 1519350 via cif-deposit CGI script.	1519350.cif