Crystallography Open Database

Information card for entry 2233667

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Structure parameters

Chemical name	Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)
Formula	C12 H8 N8 Pd
Calculated formula	C12 H8 N8 Pd
SMILES	[Pd]1([n]2cccc3ccc4ccc[n]1c4c23)(N=N#N)N=N#N
Title of publication	Bis(azido-κ<i>N</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')palladium(II)
Authors of publication	Ha, Kwang
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	2
Pages of publication	m145
a	7.0724 ± 0.0003 Å
b	18.3069 ± 0.0007 Å
c	19.1309 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2476.95 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2233667.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2233667.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2233667.cif
38480	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2233667 via cif-deposit CGI script.	2233667.cif