Crystallography Open Database

Information card for entry 7709529

Preview

Coordinates	7709529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H85 Ag Al N3 Si2
Calculated formula	C53 H85 Ag Al N3 Si2
SMILES	[Ag]([Al]1N([Si](C)(C)CC[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	On the Reactivity of Al-Group 11 (Cu, Ag, Au) Bonds
Authors of publication	Hill, Michael; Liu, Han-Ying; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire Louise
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.8026 ± 0.0003 Å
b	20.9308 ± 0.0003 Å
c	28.5781 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	10648.8 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272985 (current)	2022-02-16	cif/ Adding structures of 7709529, 7709530, 7709531, 7709532, 7709533, 7709534 via cif-deposit CGI script.	7709529.cif