Crystallography Open Database

Information card for entry 4311904

4311903 << 4311904 >> 4311905

Preview

Coordinates	4311904.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis{tris(isonicotinoyl)cyclotriguaiacylene}silver(I) cobalt(III) bis(dicarbollide) acetonitrile clathrate
Formula	C106 H115 Ag B18 Co N15 O18
Calculated formula	C106 H115 Ag B18 Co N15 O18
Title of publication	Interwoven 2-D Coordination Network Prepared from the Molecular Host Tris(isonicotinoyl)cyclotriguaiacylene and Silver(I) Cobalt(III) Bis(dicarbollide)
Authors of publication	Michaele J. Hardie; Christopher J. Sumby
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6872 - 6874
a	12.254 ± 0.003 Å
b	15.449 ± 0.003 Å
c	33.084 ± 0.007 Å
α	92.35 ± 0.03°
β	92.62 ± 0.03°
γ	112.93 ± 0.03°
Cell volume	5750 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2128
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
179158 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19.	4311904.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311904.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311904.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.	4311904.cif
3406	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311904 via cif-deposit CGI script.	4311904.cif