Crystallography Open Database

Information card for entry 7006723

Preview

Coordinates	7006723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Mn2 N2 O6
Calculated formula	C38 H34 Mn2 N2 O6
Title of publication	New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.
Authors of publication	Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	12
Pages of publication	1564 - 1573
a	9.5308 ± 0.0002 Å
b	12.9309 ± 0.0003 Å
c	15.1767 ± 0.0006 Å
α	70.543 ± 0.005°
β	80.913 ± 0.005°
γ	69.573 ± 0.005°
Cell volume	1650.85 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections	1.08
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179771 (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 7/00/67.	7006723.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006723.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006723.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006723.cif