Crystallography Open Database

Information card for entry 7006195

Preview

Coordinates	7006195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Cl2 N5 O3 Pd Se
Calculated formula	C20 H27 Cl2 N5 O3 Pd Se
Title of publication	Synthesis, characterisation and crystal structure of a Pd(II) complex of a heterocyclic selenium(IV) imide.
Authors of publication	Lozan, Vasile; Kersting, Berthold
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	40
Pages of publication	4511 - 4513
a	12.5598 ± 0.0005 Å
b	13.7954 ± 0.0007 Å
c	14.8535 ± 0.0006 Å
α	90°
β	102.909 ± 0.003°
γ	90°
Cell volume	2508.58 ± 0.19 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179765 (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 7/00/61.	7006195.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006195.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006195.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006195.cif