Crystallography Open Database

Information card for entry 4331927

4331926 << 4331927 >> 4331928

Preview

Coordinates	4331927.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	05204
Formula	C46 H30 Br Co N4
Calculated formula	C46 H29.9363 Br1.0637 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	11.251 ± 0.002 Å
b	13.175 ± 0.003 Å
c	14.369 ± 0.003 Å
α	103.136 ± 0.003°
β	107.623 ± 0.003°
γ	102.179 ± 0.003°
Cell volume	1884.9 ± 0.7 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	0.0532
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	4331927.cif
97981	2014-01-29	cif/ Adding structures of 4331927 via cif-deposit CGI script.	4331927.cif