Crystallography Open Database

Information card for entry 4105325

Preview

Coordinates	4105325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H62 N2 Sn2
Calculated formula	C55 H62 N2 Sn2
Title of publication	Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination
Authors of publication	Yang Peng; Jing-Dong Guo; Bobby D. Ellis; Zhongliang Zhu; James C. Fettinger; Shigeru Nagase; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16272 - 16282
a	8.6345 ± 0.0012 Å
b	12.8195 ± 0.0018 Å
c	21.717 ± 0.003 Å
α	102.628 ± 0.0019°
β	95.034 ± 0.002°
γ	93.0434 ± 0.0019°
Cell volume	2330.2 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178799 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53.	4105325.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105325.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105325.cif
30520	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105325 via cif-deposit CGI script.	4105325.cif