Crystallography Open Database

Information card for entry 4088372

Preview

Coordinates	4088372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H33 Cl3 Fe Ga O4 P
Calculated formula	C22 H33 Cl3 Fe Ga O4 P
SMILES	[Ga](Cl)([Fe]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O])(Cl)Cl
Title of publication	Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations
Authors of publication	Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	7
Pages of publication	1002
a	11.2213 ± 0.0004 Å
b	14.6564 ± 0.0006 Å
c	16.1887 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2662.46 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
237514 (current)	2019-11-24	cif/ Adding structures of 4088372 via cif-deposit CGI script.	4088372.cif