Crystallography Open Database

Information card for entry 1557459

Preview

Coordinates	1557459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H84 Ag2 Li2 N4 O2
Calculated formula	C56 H84 Ag2 Li2 N4 O2
SMILES	[Ag]1c2ccccc2C(=[O][Li][N]2([Ag][N]3(C(C)(CCCC3(C)C)C)[Li][O]=C(N(C(C)C)C(C)C)c3ccccc13)C(C)(CCCC2(C)C)C)N(C(C)C)C(C)C.c1ccccc1.c1ccccc1
Title of publication	Lipshutz-type bis(amido)argentates for directed ortho argentation
Authors of publication	Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	7
Pages of publication	1855 - 1861
a	13.3743 ± 0.0002 Å
b	18.2477 ± 0.0002 Å
c	22.9463 ± 0.0003 Å
α	90°
β	103.316 ± 0.002°
γ	90°
Cell volume	5449.49 ± 0.13 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
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	0.0397
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
257366 (current)	2020-10-06	cif/ Updating files of 1557456, 1557457, 1557458, 1557459 Original log message: Adding full bibliography for 1557456--1557459.cif.	1557459.cif
248753	2020-03-04	cif/ Adding structures of 1557456, 1557457, 1557458, 1557459 via cif-deposit CGI script.	1557459.cif