Crystallography Open Database

Information card for entry 1542587

Preview

Coordinates	1542587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 N5 O8
Calculated formula	C25 H19 N5 O8.52
SMILES	O(CC#C)c1ccc(cc1)c1cc(nc(c1)c1[nH+]cccc1)c1[nH+]cccc1.O=N(=O)[O-].O.OC.O=N(=O)[O-]
Title of publication	Anion triggered metallogels: demetalation and crystal growth inside the gel matrix and improvement in viscoelastic properties using Au-NPs.
Authors of publication	Biswas, Arnab; Dubey, Mrigendra; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar
Journal of publication	Soft matter
Year of publication	2016
Journal volume	12
Journal issue	12
Pages of publication	2997 - 3003
a	7.856 ± 0.005 Å
b	11.799 ± 0.007 Å
c	14.315 ± 0.008 Å
α	66.98 ± 0.014°
β	77.401 ± 0.015°
γ	74.377 ± 0.016°
Cell volume	1166.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2665
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for significantly intense reflections	0.1971
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71066 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181812 (current)	2016-04-05	cif/ Updating files of 1542587 Original log message: Adding full bibliography for 1542587.cif.	1542587.cif
177090	2016-03-01	cif/ Adding structures of 1542587 via cif-deposit CGI script.	1542587.cif