Crystallography Open Database

Information card for entry 7203749

7203748 << 7203749 >> 7203750

Preview

Coordinates	7203749.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)-dihydrate-methanol
Chemical name	Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol
Formula	C41 H41 Ag N2 O7
Calculated formula	C41 H41 Ag N2 O7
SMILES	[Ag]([NH3])[NH3].Oc1c(c2ccccc2cc1)c1c(O)ccc2ccccc12.Oc1c(c2ccccc2cc1)c1c([O-])ccc2ccccc12.O.O.OC
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	10.815 ± 0.002 Å
b	9.4999 ± 0.0019 Å
c	35.478 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3645.1 ± 1.2 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	7203749.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203749.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203749.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.	7203749.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203749.cif