Crystallography Open Database

Information card for entry 7705086

Preview

Coordinates	7705086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H86 O4 S4 Si2 Sn
Calculated formula	C58 H86 O4 S4 Si2 Sn
SMILES	[Sn]1Oc2c3cc(cc2Sc2c(c(Sc4c(O1)c(Sc1c(c(S3)cc(c1)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)cc(c4)C(C)(C)C)cc(c2)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C
Title of publication	Synthesis and structures of diaryloxystannylenes and -plumbylenes embedded in 1,3-diethers of thiacalix[4]arene.
Authors of publication	Kuriki, Ryunosuke; Kuwabara, Takuya; Ishii, Youichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12234 - 12241
a	13.377 ± 0.0012 Å
b	17.7497 ± 0.0015 Å
c	25.887 ± 0.002 Å
α	90°
β	102.696 ± 0.002°
γ	90°
Cell volume	5996.3 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
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	0.0445
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257569 (current)	2020-10-06	cif/ Updating files of 7705084, 7705085, 7705086, 7705087, 7705088 Original log message: Adding full bibliography for 7705084--7705088.cif.	7705086.cif
255231	2020-08-11	cif/ Adding structures of 7705084, 7705085, 7705086, 7705087, 7705088 via cif-deposit CGI script.	7705086.cif