Crystallography Open Database

Information card for entry 4331928

4331927 << 4331928 >> 4331929

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Coordinates	4331928.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	05026
Formula	C46 H29 Cl2 Co N4
Calculated formula	C46 H29 Cl2 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	12.237 ± 0.0015 Å
b	12.3804 ± 0.0015 Å
c	13.7944 ± 0.0017 Å
α	67.209 ± 0.002°
β	86.051 ± 0.002°
γ	66.063 ± 0.002°
Cell volume	1751.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0473
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179422 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19.	4331928.cif
97982	2014-01-29	cif/ Adding structures of 4331928 via cif-deposit CGI script.	4331928.cif