Crystallography Open Database

Information card for entry 4333728

Preview

Coordinates	4333728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H37 F5 Ge N4
Calculated formula	C26 H37 F5 Ge N4
SMILES	[Ge](N(C(=N\C(C)(C)C)\c1ccccc1)C(C)(C)C)(F)(N(C(C)C)C(C)C)c1c(F)c(nc(F)c1F)F
Title of publication	Oxidative Addition Versus Substitution Reactions of Group 14 Dialkylamino Metalylenes with Pentafluoropyridine
Authors of publication	Prinson P. Samuel; Amit Pratap Singh; Sankaranarayana Pillai Sarish; Julia Matussek; Ina Objartel; Herbert W. Roesky; Dietmar Stalke
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1544 - 1549
a	15.122 ± 0.002 Å
b	19.248 ± 0.002 Å
c	19.887 ± 0.003 Å
α	90°
β	112.05 ± 0.02°
γ	90°
Cell volume	5365.1 ± 1.4 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
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	0.0298
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179440 (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 4/33/37.	4333728.cif
99532	2014-01-31	cif/ Adding structures of 4333728 via cif-deposit CGI script.	4333728.cif