Crystallography Open Database

Information card for entry 4327396

Preview

Coordinates	4327396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H92 Cl16 N16 O16 Pd2
Calculated formula	C92 H92 Cl16 N16 O16 Pd2
Title of publication	Macrocyclic and Lantern Complexes of Palladium(II) with Bis(amidopyridine) Ligands: Synthesis, Structure, and Host-Guest Chemistry
Authors of publication	Nancy L. S. Yue; Dana J. Eisler; Michael C. Jennings; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7671 - 7681
a	19.8814 ± 0.0002 Å
b	19.8814 ± 0.0002 Å
c	15.8966 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6283.45 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2414
Weighted residual factors for all reflections included in the refinement	0.2668
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327396.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327396.cif
61167	2012-06-25	cif/ Adding structures of 4327396 via cif-deposit CGI script.	4327396.cif