Crystallography Open Database

Information card for entry 7700013

Preview

Coordinates	7700013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H125 Si10
Calculated formula	C63 H125 Si10
Title of publication	The formation of a 1,4-disilabenzene and its isomerization into a disilabenzvalene derivative.
Authors of publication	Sugahara, Tomohiro; Sasamori, Takahiro; Tokitoh, Norihiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9053 - 9056
a	17.4494 ± 0.0003 Å
b	23.4849 ± 0.0006 Å
c	18.8183 ± 0.0006 Å
α	90°
β	105.37 ± 0.0011°
γ	90°
Cell volume	7435.9 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.2155
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224203 (current)	2019-11-08	cif/ Updating files of 7700013, 7700014, 7700015 Original log message: Adding full bibliography for 7700013--7700015.cif.	7700013.cif
215291	2019-05-18	cif/ Adding structures of 7700013, 7700014, 7700015 via cif-deposit CGI script.	7700013.cif