Crystallography Open Database

Information card for entry 7705088

Preview

Coordinates	7705088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H96 O5 S4 Si2
Calculated formula	C62 H96 O5 S4 Si2
SMILES	Oc1c2cc(cc1Sc1c(O[Si](C(C)C)(C(C)C)C(C)C)c(Sc3c(O)c(Sc4c(O[Si](C(C)C)(C(C)C)C(C)C)c(S2)cc(c4)C(C)(C)C)cc(c3)C(C)(C)C)cc(c1)C(C)(C)C)C(C)(C)C.O1CCCC1
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	13.51 ± 0.002 Å
b	15.106 ± 0.002 Å
c	16.04 ± 0.002 Å
α	79.593 ± 0.005°
β	81.074 ± 0.004°
γ	89.23 ± 0.006°
Cell volume	3180.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7705088.cif
255231	2020-08-11	cif/ Adding structures of 7705084, 7705085, 7705086, 7705087, 7705088 via cif-deposit CGI script.	7705088.cif