Crystallography Open Database

Information card for entry 7008557

Preview

Coordinates	7008557.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(4-((2-methylbenzimidazol-1-yl)methyl)benzamide) silver(i) BF4, H2O
Chemical name	bis(4-[(2-methylbenzimidazol-1-yl)methyl]benzamide) silver(I) BF4, H2O
Formula	C32 H30 Ag B F4 N6 O5.4
Calculated formula	C32 H30 Ag B F4 N6 O5.4
Title of publication	[(Benzimidazol-1-yl)methyl]benzamides as bifunctional reagents for reliable inorganic-organic supramolecular synthesis.
Authors of publication	Aakeröy, Christer B; Desper, John; Smith, Michelle M.; Urbina, Joaquin F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	14
Pages of publication	2462 - 2470
a	40.141 ± 0.003 Å
b	4.9633 ± 0.0005 Å
c	18.6857 ± 0.0019 Å
α	90°
β	96.855 ± 0.006°
γ	90°
Cell volume	3696.2 ± 0.6 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.292
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7008557.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008557.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008557.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.	7008557.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008557.cif