Crystallography Open Database

Information card for entry 4085836

Preview

Coordinates	4085836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H86 Ga Li O6 Si2
Calculated formula	C44 H86 Ga Li O6 Si2
SMILES	C1(=CC=CC(=[Ga]1c1c(cc(cc1C)C)C)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
Title of publication	An Isolable Anionic Gallabenzene: Synthesis and Characterization
Authors of publication	Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	10
Pages of publication	1806
a	13 ± 0.002 Å
b	28.938 ± 0.005 Å
c	13.964 ± 0.002 Å
α	90°
β	108.411 ± 0.002°
γ	90°
Cell volume	4984.3 ± 1.4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0825
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140187 (current)	2015-07-05	cif/ Updating files of 4085835, 4085836, 4085837 Original log message: Adding full bibliography for 4085835--4085837.cif.	4085836.cif
136844	2015-05-18	cif/ Adding structures of 4085835, 4085836, 4085837 via cif-deposit CGI script.	4085836.cif