Crystallography Open Database

Information card for entry 4334795

Preview

Coordinates	4334795.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Formula	C32 H36 Cl2 Cr N2 O5 Sn
Calculated formula	C32 H36 Cl2 Cr N2 O5 Sn
SMILES	[Sn]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(Cl)(Cl)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Mössbauer Spectroscopy of Formal Tin(II) Dichloride and Dihydride Species Supported by Lewis Acids and Bases
Authors of publication	S. M. Ibrahim Al-Rafia; Olena Shynkaruk; Sean M. McDonald; Sean K. Liew; Michael J. Ferguson; Robert McDonald; Rolfe H. Herber; Eric Rivard
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5581 - 5589
a	10.5962 ± 0.0006 Å
b	18.9655 ± 0.0011 Å
c	51.458 ± 0.003 Å
α	90°
β	91.5446 ± 0.0007°
γ	90°
Cell volume	10337.4 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179450 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/47.	4334795.cif
100668	2014-02-06	cif/ Adding structures of 4334795 via cif-deposit CGI script.	4334795.cif