Crystallography Open Database

Information card for entry 4078228

Preview

Coordinates	4078228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 N2 O P2 S Si Sn
Calculated formula	C41 H46 N2 O P2 S Si Sn
SMILES	[Sn]12N(C(=O)C(P(c3ccccc3)(c3ccccc3)=[S]2)=P(c2ccccc2)(c2ccccc2)N1[Si](C)(C)C)c1c(C(C)C)cccc1C(C)C
Title of publication	Reactivity of a Tin(II) (Iminophosphinoyl)(thiophosphinoyl)methanediide Complex toward Isocyanates and Rhodium(I) Chloride
Authors of publication	Guo, Jia-Yi; Li, Yongxin; Ganguly, Rakesh; So, Cheuk-Wai
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	10
Pages of publication	3888
a	9.4127 ± 0.0003 Å
b	21.5662 ± 0.0006 Å
c	19.0244 ± 0.0005 Å
α	90°
β	95.348 ± 0.001°
γ	90°
Cell volume	3845.07 ± 0.19 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
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	0.0507
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
178671 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/82.	4078228.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078228.cif
59859	2012-06-14	cif/ Adding structures of 4078226, 4078227, 4078228 via cif-deposit CGI script.	4078228.cif