Crystallography Open Database

Information card for entry 4327395

Preview

Coordinates	4327395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H66 F9 N16 O16 Pd2
Calculated formula	C84 H66 F9 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	12.9654 ± 0.0002 Å
b	13.1454 ± 0.0002 Å
c	15.8598 ± 0.0003 Å
α	81.907 ± 0.001°
β	88.586 ± 0.001°
γ	68.947 ± 0.001°
Cell volume	2496.53 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2158
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4327395.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327395.cif
61166	2012-06-25	cif/ Adding structures of 4327395 via cif-deposit CGI script.	4327395.cif