Crystallography Open Database

Information card for entry 7706440

Preview

Coordinates	7706440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 Ga2 I4
Calculated formula	C34 H58 Ga2 I4
SMILES	I[Ga]1([I][Ga]([I]1)(I)C1(C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C1(C(=CC(=C1)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	9.984 ± 0.002 Å
b	23.624 ± 0.003 Å
c	17.26 ± 0.002 Å
α	90°
β	99.89 ± 0.02°
γ	90°
Cell volume	4010.5 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0508
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7706440.cif
261069	2021-01-20	cif/ Adding structures of 7706437, 7706438, 7706439, 7706440, 7706441, 7706442, 7706443 via cif-deposit CGI script.	7706440.cif