Crystallography Open Database

Information card for entry 7004884

Preview

Coordinates	7004884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Mn N10
Calculated formula	C12 H8 Mn N10
Title of publication	Mn(dca)2(pym)2 and Mn(dca)2(pym)(H2O) {dca = dicyanamide; pym = pyrimidine}: New coordination polymers exhibiting 1- and 2-D topologies.
Authors of publication	Manson, Jamie L.; Schlueter, John A.; Nygren, Cara L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	6
Pages of publication	646 - 652
a	13.6213 ± 0.0016 Å
b	7.5799 ± 0.0009 Å
c	14.7671 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1524.7 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2042
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.2239
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179752 (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 7/00/48.	7004884.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004884.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004884.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004884.cif