Crystallography Open Database

Information card for entry 7041273

Preview

Coordinates	7041273.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,?10-?Bis(1,?1-?dimethylethyl)?-?6-?dipyrido[1,?2-?c:2',?1'-?e]?imidazol-?5-?ium-6-yl-η5-cyclopentadienide lithium bis(trifluoromethylsulfonyl)imideamide
Formula	C35 H37 F6 Li N3 O4 S2
Calculated formula	C35 H37 F6 Li N3 O4 S2
Title of publication	Synthesis of a lithium-cyclopentadienide complex by addition of LiNTf2 to a zwitterionic fulvalene.
Authors of publication	Schmid, Dominic; Seyboldt, Alexander; Eichele, Klaus; Kunz, Doris
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	46
Journal issue	1
Pages of publication	29 - 32
a	11.279 ± 0.0003 Å
b	13.0907 ± 0.0004 Å
c	14.2729 ± 0.0004 Å
α	110.506 ± 0.002°
β	109.862 ± 0.002°
γ	94.502 ± 0.002°
Cell volume	1809.18 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
191675 (current)	2017-02-04	cif/ Updating files of 7041273 Original log message: Adding full bibliography for 7041273.cif.	7041273.cif
188763	2016-11-30	cif/ Adding structures of 7041273 via cif-deposit CGI script.	7041273.cif