Crystallography Open Database

Information card for entry 1573749

Preview

Coordinates	1573749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H62 Al N3 O4
Calculated formula	C31 H62 Al N3 O4
SMILES	[Al](ON1C(C)(C)CCCC1(C)C)(ON1C(C)(C)CCCC1(C)C)(ON1C(C)(C)CCCC1(C)C)[O]1CCCC1
Title of publication	Metal-ligand cooperativity enables zero-valent metal transfer.
Authors of publication	Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	9
Pages of publication	3888 - 3894
a	11.7623 ± 0.0004 Å
b	12.4407 ± 0.0005 Å
c	12.9344 ± 0.0005 Å
α	118.532 ± 0.002°
β	91.442 ± 0.002°
γ	90.128 ± 0.002°
Cell volume	1662.09 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298152 (current)	2025-03-04	cif/ Updating files of 1573748, 1573749, 1573750, 1573751, 1573752 Original log message: Adding full bibliography for 1573748--1573752.cif.	1573749.cif
297427	2025-01-23	cif/ Adding structures of 1573748, 1573749, 1573750, 1573751, 1573752 via cif-deposit CGI script.	1573749.cif