Crystallography Open Database

Information card for entry 4087844

Preview

Coordinates	4087844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H41 Ge N3 S Si2
Calculated formula	C21 H41 Ge N3 S Si2
SMILES	[Ge]1(=S)(N(C2=CC=CC=CC2=[N]1CC(C)C)CC(C)C)N([Si](C)(C)C)[Si](C)(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	8.6319 ± 0.0016 Å
b	33.349 ± 0.007 Å
c	10.257 ± 0.002 Å
α	90°
β	112.298 ± 0.004°
γ	90°
Cell volume	2731.8 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.089
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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.	4087844.cif