Crystallography Open Database

Information card for entry 4508909

Preview

Coordinates	4508909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 N2 O8 Pr
Calculated formula	C25 H17 N2 O8 Pr
Title of publication	Porphyrin Supramolecular Solids Assembled with the Aid of Lanthanide Ions
Authors of publication	George, Sumod; Lipstman, Sophia; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	12
Pages of publication	2651
a	9.4902 ± 0.0007 Å
b	13.9123 ± 0.0013 Å
c	16.7437 ± 0.0014 Å
α	83.044 ± 0.003°
β	75.802 ± 0.005°
γ	88.309 ± 0.005°
Cell volume	2127.4 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
179625 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/89.	4508909.cif
97005	2014-01-29	cif/ Adding structures of 4508909, 4508910, 4508911 via cif-deposit CGI script.	4508909.cif