Crystallography Open Database

Information card for entry 7008820

Preview

Coordinates	7008820.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cadmium (ii) bis-nitrate-bis-pyrazine
Chemical name	Cadmium (II) bis-nitrate-bis-pyrazine
Formula	C4 H4 Cd N4 O6
Calculated formula	C4 H4 Cd N4 O6
Title of publication	Structural diversity in two-dimensional coordination polymers constructed from simple building-blocks; a rare example of coordination polymer polymorphs structurally characterised from multiple crystals.
Authors of publication	Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	24
Pages of publication	3852 - 3861
a	7.1541 ± 0.0012 Å
b	9.356 ± 0.002 Å
c	14.2864 ± 0.0018 Å
α	90°
β	118.209 ± 0.006°
γ	90°
Cell volume	842.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179792 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/88.	7008820.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008820.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008820.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.	7008820.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008820.cif