Crystallography Open Database

Information card for entry 7114513

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Coordinates	7114513.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	manganese N-confused tetraphenylporphyrin pyridine complex
Chemical name	(5,10,15,20-tetraphenyl-2-aza-21-carba-porphyrinato)(pyridine)manganese(II)
Formula	C48.5 H38.5 Mn N6.5
Calculated formula	C56.72 H40.72 Mn N6.544
Title of publication	Dimeric and monomeric forms of manganese N-confused porphyrin
Authors of publication	Harvey, John D.; Ziegler, Christopher J.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1942
a	12.931 ± 0.003 Å
b	13.497 ± 0.003 Å
c	14.928 ± 0.003 Å
α	73.783 ± 0.003°
β	69.248 ± 0.003°
γ	66.975 ± 0.003°
Cell volume	2212.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1394
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.2545
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114513.cif
116824	2014-06-14	cif/ Adding structures of 7114513, 7114514 via cif-deposit CGI script.	7114513.cif