Crystallography Open Database

Information card for entry 7203752

7203751 << 7203752 >> 7203753

Preview

Coordinates	7203752.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol
Chemical name	Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol
Formula	C42 H39 Ag N2 O5
Calculated formula	C42 H39 Ag N2 O5
SMILES	[Ag]([NH3])[NH3].Oc1c(c2ccccc2cc1)c1c([O-])ccc2ccccc12.Oc1c(c2ccccc2cc1)c1c(O)ccc2ccccc12.OCC
Title of publication	Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2
Authors of publication	Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	51
Pages of publication	309
a	9.3931 ± 0.0016 Å
b	10.8023 ± 0.0018 Å
c	18.105 ± 0.003 Å
α	78.274 ± 0.003°
β	81.002 ± 0.003°
γ	89.577 ± 0.003°
Cell volume	1776 ± 0.5 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1041
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
180368 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/37.	7203752.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203752.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203752.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203752.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203752.cif