Crystallography Open Database

Information card for entry 7715241

Preview

Coordinates	7715241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Cl4 Ga2 N4
Calculated formula	C40 H58 Cl4 Ga2 N4
SMILES	[Ga]1(Cl)(Cl)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)[C@H]1[C@H](N2[Ga](Cl)(Cl)[N](=C(C=C2C)C)c2c(cccc2C(C)C)C(C)C)CCCC1
Title of publication	Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.
Authors of publication	Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	11
Pages of publication	4922 - 4929
a	10.264 ± 0.0019 Å
b	18.797 ± 0.003 Å
c	22.81 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4400.8 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0446
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
290976 (current)	2024-04-05	cif/ Updating files of 7715237, 7715238, 7715239, 7715240, 7715241, 7715242 Original log message: Adding full bibliography for 7715237--7715242.cif.	7715241.cif
289949	2024-02-24	cif/ Adding structures of 7715237, 7715238, 7715239, 7715240, 7715241, 7715242 via cif-deposit CGI script.	7715241.cif