Crystallography Open Database

Information card for entry 4331929

4331928 << 4331929 >> 4331930

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Coordinates	4331929.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	05250
Formula	C46 H29 Co N4
Calculated formula	C48 H30 Co N4
Title of publication	Synthesis, Structure, and Unusual Reactivity of β-Halovinyl Cobalt Porphyrin Complexes
Authors of publication	Fritsch, Joseph M.; Retka, Noah D.; McNeill, Kristopher
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	5
Pages of publication	2288 - 2295
a	13.52 ± 0.0009 Å
b	13.52 Å
c	9.789 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1789.34 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.254
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4331929.cif
97983	2014-01-29	cif/ Adding structures of 4331929 via cif-deposit CGI script.	4331929.cif