Crystallography Open Database

Information card for entry 7706438

Preview

Coordinates	7706438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H29 Ga2 I3
Calculated formula	C17 H29 Ga2 I3
SMILES	I[Ga](I)(I)[Ga]1234[c]5([c]1([cH]2[c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.
Authors of publication	Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	2067 - 2074
a	10.845 ± 0.002 Å
b	11.25 ± 0.003 Å
c	11.306 ± 0.003 Å
α	82.69 ± 0.02°
β	61.37 ± 0.02°
γ	74.03 ± 0.03°
Cell volume	1164 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
262630 (current)	2021-03-05	cif/ Updating files of 7706437, 7706438, 7706439, 7706440, 7706441, 7706442, 7706443 Original log message: Adding full bibliography for 7706437--7706443.cif.	7706438.cif
261069	2021-01-20	cif/ Adding structures of 7706437, 7706438, 7706439, 7706440, 7706441, 7706442, 7706443 via cif-deposit CGI script.	7706438.cif