Crystallography Open Database

Information card for entry 4331895

Preview

Coordinates	4331895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H32 Al N8 O2
Calculated formula	C46 H30 Al N8 O2
Title of publication	Aluminum Tetraphenylporphyrin and Aluminum Phthalocyanine Neutral Radicals
Authors of publication	Cissell, Julie A.; Vaid, Thomas P.; Rheingold, Arnold L.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	6
Pages of publication	2367 - 2369
a	16.0554 ± 0.0019 Å
b	19.335 ± 0.002 Å
c	11.6391 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3613.1 ± 0.7 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331895.cif
97952	2014-01-29	cif/ Adding structures of 4331895 via cif-deposit CGI script.	4331895.cif