Crystallography Open Database

Information card for entry 1547250

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Structure parameters

Formula	C28 H36 Br2 N4 O2
Calculated formula	C28 H36 Br2 N4 O2
SMILES	[Br-].[Br-].n1(c[n+](c2c1cccc2)Cc1ccccc1Cn1c2ccccc2[n+](c1)C(C)C)C(C)C.O.O
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	10.3809 ± 0.0002 Å
b	11.7017 ± 0.0003 Å
c	11.3918 ± 0.0002 Å
α	90°
β	91.742 ± 0.001°
γ	90°
Cell volume	1383.17 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1547250.cif
201069	2017-09-20	cif/ Adding structures of 1547250 via cif-deposit CGI script.	1547250.cif