Crystallography Open Database

Information card for entry 4329553

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Coordinates	4329553.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3,12-(NO2)2TTCorrCoPPh3
Formula	C117 H86 Cl2 Co2 N12 O8 P2
Calculated formula	C117 H86 Cl2 Co2 N12 O8 P2
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	18.225 ± 0.003 Å
b	9.2487 ± 0.0014 Å
c	29.294 ± 0.004 Å
α	90°
β	105.212 ± 0.01°
γ	90°
Cell volume	4764.7 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179398 (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 4/32/95.	4329553.cif
78610	2013-04-02	cif/ Adding structures of 4329553 via cif-deposit CGI script.	4329553.cif