Crystallography Open Database

Information card for entry 7709530

Preview

Coordinates	7709530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H77 Al Cu N2 P Si2
Calculated formula	C42 H77 Al Cu N2 P Si2
SMILES	[Cu]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Al]1N([Si](CC[Si](N1c1c(cccc1C(C)C)C(C)C)(C)C)(C)C)c1c(C(C)C)cccc1C(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	12.4581 ± 0.0001 Å
b	16.1906 ± 0.0001 Å
c	23.0546 ± 0.0001 Å
α	90°
β	96.251 ± 0.001°
γ	90°
Cell volume	4622.56 ± 0.05 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	7
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	0.0287
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0724
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.	7709530.cif