Crystallography Open Database

Information card for entry 2105142

Preview

Coordinates	2105142.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H26 Ag N3 O2
Calculated formula	C22 H26 Ag N3 O2
SMILES	[Ag]([NH2]Cc1ccccc1)[NH2]Cc1ccccc1.c1ccccc1CNC(=O)[O-]
Title of publication	Synthesis, structure and spectroscopic properties of a novel compound <i>bis</i>(benzylamino)silver(I) benzylcarbamate
Authors of publication	Liu, Jianguo; Zeng, Xiaoyan; Li, Hua
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	401 - 406
a	5.2006 ± 0.0005 Å
b	14.6298 ± 0.0015 Å
c	14.7246 ± 0.0015 Å
α	68.729 ± 0.002°
β	83.507 ± 0.002°
γ	85.412 ± 0.002°
Cell volume	1036.37 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0308
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105142.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2105142.cif
65702	2012-09-06	cif/ Adding structures of 2105142 via cif-deposit CGI script.	2105142.cif