Crystallography Open Database

Information card for entry 1519517

1519516 << 1519517 >> 1519518

Preview

Coordinates	1519517.cif

Structure parameters

Formula	C50 H90 O15 Si10
Calculated formula	C50 H90 O15 Si10
Title of publication	C50H90O15Si10
Authors of publication	Taylor, Peter G.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	931
a	15.3777 ± 0.0002 Å
b	19.8946 ± 0.0002 Å
c	21.2081 ± 0.0003 Å
α	72.76°
β	89.25°
γ	83.24°
Cell volume	6152.05 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1519517.cif
136096	2015-05-12	cif/ Adding structures of 1519517 via cif-deposit CGI script.	1519517.cif