Crystallography Open Database

Information card for entry 7713682

Preview

Coordinates	7713682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 Ga2 N6
Calculated formula	C54 H72 Ga2 N6
SMILES	[Ga]1[N]([Ga][N]1=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring
Authors of publication	Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di
Journal of publication	Dalton Transactions
Year of publication	2023
a	31.3223 ± 0.0016 Å
b	12.3615 ± 0.0006 Å
c	30.9147 ± 0.0016 Å
α	90°
β	118.417 ± 0.001°
γ	90°
Cell volume	10527.6 ± 0.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
285590 (current)	2023-08-09	cif/ Adding structures of 7713678, 7713679, 7713680, 7713681, 7713682 via cif-deposit CGI script.	7713682.cif