Crystallography Open Database

Information card for entry 4328884

Preview

Coordinates	4328884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Ag2 N6 O3
Calculated formula	C36 H32 Ag2 N6 O2
SMILES	[Ag]1234[Ag]56(Oc7[n]2c(C(c2[n]3c(ccc2)C)c2[n]4c(ccc2)C)ccc7)[n]2c(O1)cccc2C(c1[n]5c(ccc1)C)c1[n]6c(ccc1)C
Title of publication	Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes
Authors of publication	Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4511 - 4520
a	10.7273 ± 0.0003 Å
b	23.3759 ± 0.0006 Å
c	29.2642 ± 0.0007 Å
α	90°
β	96.399 ± 0.001°
γ	90°
Cell volume	7292.6 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0289
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4328884.cif
77923	2013-04-01	cif/ Adding structures of 4328884 via cif-deposit CGI script.	4328884.cif