Crystallography Open Database

Information card for entry 4114906

Preview

Coordinates	4114906.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ga-(NO2)3-corrole
Formula	C49 H24 Cl2 F15 Ga N8 O6
Calculated formula	C49.15 H10 Cl2 F15 Ga N8 O6
Title of publication	Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation
Authors of publication	Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	7411 - 7420
a	11.399 ± 0.0003 Å
b	19.023 ± 0.0004 Å
c	22.761 ± 0.0006 Å
α	90°
β	104.564 ± 0.0012°
γ	90°
Cell volume	4777 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1601
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2706
Weighted residual factors for all reflections included in the refinement	0.312
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178920 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/49.	4114906.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114906.cif
68272	2012-10-22	cif/ Adding structures of 4114906 via cif-deposit CGI script.	4114906.cif