Crystallography Open Database

Information card for entry 7700015

Preview

Coordinates	7700015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H118 O2 Si10
Calculated formula	C60 H118 O2 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	17.4581 ± 0.0011 Å
b	19.372 ± 0.0004 Å
c	23.8816 ± 0.001 Å
α	75.4 ± 0.003°
β	86.427 ± 0.004°
γ	69.949 ± 0.004°
Cell volume	7339.6 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.2981
Residual factor for significantly intense reflections	0.1639
Weighted residual factors for significantly intense reflections	0.3802
Weighted residual factors for all reflections included in the refinement	0.5098
Goodness-of-fit parameter for all reflections included in the refinement	1.234
Diffraction radiation wavelength	0.78255 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
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.	7700015.cif
215291	2019-05-18	cif/ Adding structures of 7700013, 7700014, 7700015 via cif-deposit CGI script.	7700015.cif