Crystallography Open Database

Information card for entry 1549246

Preview

Coordinates	1549246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Cl2 Cu F6 N2 Sb
Calculated formula	C40 H56 Cl2 Cu F6 N2 Sb
SMILES	[Sb](F)(F)(F)(F)([F-])F.[Cu]12(=C3N(c4c(C(C)C)cccc4C(C)C)C=CN3c3c(cccc3C(C)C)C(C)C)[C]3(=[C]1(C(=C(C(=[C]23C)C)C)C)C)C.ClCCl
Title of publication	Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.
Authors of publication	Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	18
Pages of publication	4333 - 4337
a	10.506 ± 0.005 Å
b	20.813 ± 0.009 Å
c	20.435 ± 0.009 Å
α	90°
β	104.638 ± 0.01°
γ	90°
Cell volume	4323 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.125
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.971
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
228823 (current)	2019-11-17	cif/ Updating files of 1549244, 1549245, 1549246, 1549247 Original log message: Adding full bibliography for 1549244--1549247.cif.	1549246.cif
207340	2018-04-15	cif/ Adding structures of 1549244, 1549245, 1549246, 1549247 via cif-deposit CGI script.	1549246.cif