Crystallography Open Database

Information card for entry 7004883

Preview

Coordinates	7004883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Mn N8 O
Calculated formula	C8 H6 Mn N8 O
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	7.3939 ± 0.0017 Å
b	18.858 ± 0.004 Å
c	8.849 ± 0.002 Å
α	90°
β	109.26 ± 0.004°
γ	90°
Cell volume	1164.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0273
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7004883.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004883.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004883.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7004883.cif