Crystallography Open Database

Information card for entry 8102691

Preview

Coordinates	8102691.cif

Structure parameters

Chemical name	Diiodo(1,10-phenanthroline-κ^2^N,N')palladium(II)
Formula	C12 H8 I2 N2 Pd
Calculated formula	C12 H8 I2 N2 Pd
SMILES	[Pd]1([n]2cccc3ccc4ccc[n]1c4c23)(I)I
Title of publication	Crystal structure of diiodo(1,10-phenanthroline-k2N,N')palladium(II), PdI2(C12H8N2)
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	317
a	10.3552 ± 0.0007 Å
b	18.0162 ± 0.0012 Å
c	7.3535 ± 0.0005 Å
α	90°
β	108.659 ± 0.002°
γ	90°
Cell volume	1299.77 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1104
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102691.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102691.cif
13430	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102691 via cif-deposit CGI script.	8102691.cif