Crystallography Open Database

Information card for entry 1547252

Preview

Coordinates	1547252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 F12 N4 P2
Calculated formula	C28 H32 F12 N4 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n1(c[n+](c2c1cccc2)Cc1ccc(C[n+]2cn(c3c2cccc3)C(C)C)cc1)C(C)C
Title of publication	Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)
Authors of publication	Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima
Journal of publication	Chemistry Central Journal
Year of publication	2013
Journal volume	7
Pages of publication	27
a	12.0379 ± 0.0006 Å
b	10.2165 ± 0.0005 Å
c	12.7232 ± 0.0006 Å
α	90°
β	96.236 ± 0.001°
γ	90°
Cell volume	1555.51 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
201071 (current)	2017-09-20	cif/ Adding structures of 1547252 via cif-deposit CGI script.	1547252.cif