Crystallography Open Database

Information card for entry 7216565

Preview

Coordinates	7216565.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Complex between 1,2-bis(4-pyridyl)butadiyne and bis(hexafluoroacetylacetonate)Mn
Formula	C12 H5 F6 Mn N O2
Calculated formula	C12 H5 F6 Mn0.5 N O2
Title of publication	One-dimensional coordination polymers generated from 1,2-bis(x-pyridyl)butadiyne (x�= 3 and 4) and bis(hexafluoroacetylacetonato)M(ii) (M = Cu, Mn, Zn)
Authors of publication	Zaman, Md. Badruz; Udachin, Konstantin A.; Ripmeester, John A.
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	103
Pages of publication	613
a	6.6626 ± 0.0009 Å
b	9.3393 ± 0.0012 Å
c	10.5602 ± 0.0013 Å
α	98.648 ± 0.002°
β	101.102 ± 0.003°
γ	92.668 ± 0.002°
Cell volume	635.54 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1571
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180496 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65.	7216565.cif
116854	2014-06-14	cif/ Adding structures of 7216562, 7216563, 7216564, 7216565 via cif-deposit CGI script.	7216565.cif