Crystallography Open Database

Information card for entry 7114514

Preview

Coordinates	7114514.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(5,10,15,20-tetraphenyl-N-confusedporphyrinato)manganese(II)
Chemical name	(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)manganese(II)
Formula	C45.75 H30 Mn N4
Calculated formula	C44 H28 Mn N4
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	9.477 ± 0.002 Å
b	15.165 ± 0.004 Å
c	22.935 ± 0.005 Å
α	100.162 ± 0.005°
β	94.14 ± 0.004°
γ	95.555 ± 0.004°
Cell volume	3215.8 ± 1.3 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	0.1538
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.1963
Goodness-of-fit parameter for all reflections included in the refinement	0.826
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
180259 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/45.	7114514.cif
116824	2014-06-14	cif/ Adding structures of 7114513, 7114514 via cif-deposit CGI script.	7114514.cif