Crystallography Open Database

Information card for entry 4329551

Preview

Coordinates	4329551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.47 H32.47 Cl4.4 N5 O2
Calculated formula	C41.468 H32.468 Cl4.404 N5 O2
Title of publication	β-Nitro-5,10,15-tritolylcorroles
Authors of publication	Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M. Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6928 - 6942
a	9.6282 ± 0.001 Å
b	14.5927 ± 0.0014 Å
c	15.2094 ± 0.0015 Å
α	64.348 ± 0.005°
β	83.229 ± 0.005°
γ	87.496 ± 0.005°
Cell volume	1912.8 ± 0.3 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 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	0.061
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329551.cif
78608	2013-04-02	cif/ Adding structures of 4329551 via cif-deposit CGI script.	4329551.cif