Crystallography Open Database

Information card for entry 4087846

Preview

Coordinates	4087846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 Br Ge N2 S
Calculated formula	C15 H23 Br Ge N2 S
SMILES	[Ge]1(=S)(Br)[N](=C2C=CC=CC=C2N1CC(C)C)CC(C)C
Title of publication	Reactivity of LGe‒NR2 and LGe(E)‒NR2 over LGe‒Cl and LGe(E)‒Cl toward Me3SiX (L = Aminotroponiminate; NR2 = N(SiMe3)2/NC4H4; E = S/Se; X = Br/CN)
Authors of publication	Siwatch, Rahul Kumar; Karwasara, Surendar; Sharma, Mahendra Kumar; Mondal, Santigopal; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	4
Pages of publication	429
a	11.2159 ± 0.0015 Å
b	16.256 ± 0.002 Å
c	19.033 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3470.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
237045 (current)	2019-11-24	cif/ Adding structures of 4087843, 4087844, 4087845, 4087846, 4087847, 4087848, 4087849 via cif-deposit CGI script.	4087846.cif