Crystallography Open Database

Information card for entry 4079848

Preview

Coordinates	4079848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 N2 O3.25 S Sn
Calculated formula	C18 H25 N2 O3.282 S Sn
Title of publication	Intramolecularly Coordinated Group 14 and 15 Chalcogenites
Authors of publication	Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	157
a	9.604 ± 0.0005 Å
b	15.011 ± 0.0009 Å
c	16.657 ± 0.0008 Å
α	90°
β	124.385 ± 0.005°
γ	90°
Cell volume	1981.8 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0468
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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