Crystallography Open Database

Information card for entry 1571340

Preview

Coordinates	1571340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Si4 Sn2
Calculated formula	C54 H52 Si4 Sn2
SMILES	C1([Si](C)(c2ccccc2)c2ccccc2)([Si](C)(c2ccccc2)c2ccccc2)[Sn]C([Si](C)(c2ccccc2)c2ccccc2)([Si](C)(c2ccccc2)c2ccccc2)[Sn]1
Title of publication	A tin analogue of propadiene with cumulated C[double bond, length as m-dash]Sn double bonds.
Authors of publication	Sugamata, Koh; Asakawa, Teppei; Minoura, Mao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	19
Pages of publication	7072 - 7078
a	10.0462 ± 0.0004 Å
b	10.6969 ± 0.0004 Å
c	12.2851 ± 0.0003 Å
α	81.137 ± 0.002°
β	74.219 ± 0.003°
γ	66.744 ± 0.004°
Cell volume	1165.58 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0168
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
292891 (current)	2024-07-05	cif/ Updating files of 1571336, 1571337, 1571338, 1571339, 1571340, 1571341 Original log message: Adding full bibliography for 1571336--1571341.cif.	1571340.cif
290737	2024-04-03	cif/ Adding structures of 1571336, 1571337, 1571338, 1571339, 1571340, 1571341 via cif-deposit CGI script.	1571340.cif