Crystallography Open Database

Information card for entry 4329213

Preview

Coordinates	4329213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Cl3 N P2 Sn
Calculated formula	C26 H40 Cl3 N P2 Sn
SMILES	c12c(cc(cc2)C)[P](C(C)C)(C(C)C)[Sn]2(N1c1c(cc(cc1)C)[P]2(C(C)C)C(C)C)(Cl)(Cl)Cl
Title of publication	Synthesis and Characterization of N-[2-P(i-Pr)2-4-methylphenyl]2- (PNP) Pincer Tin(IV) and Tin(II) Complexes
Authors of publication	Jens Henning; Hartmut Schubert; Klaus Eichele; Florian Winter; Rainer Pöttgen; Hermann August Mayer; Lars Wesemann
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5787 - 5794
a	11.4463 ± 0.0003 Å
b	9.6919 ± 0.0002 Å
c	15.9712 ± 0.0005 Å
α	90°
β	125.864 ± 0.002°
γ	90°
Cell volume	1435.87 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.224
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
179395 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/92.	4329213.cif
78253	2013-04-01	cif/ Adding structures of 4329213 via cif-deposit CGI script.	4329213.cif