Crystallography Open Database

Information card for entry 4312018

4312017 << 4312018 >> 4312019

Preview

Coordinates	4312018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H95 Cu2 N8 O1.5
Calculated formula	C119 H92 Cu2 N8 O1.499
Title of publication	Alkyl- and Aryl-Substituted Corroles. 5. Synthesis, Physicochemical Properties, and X-ray Structural Characterization of Copper Biscorroles and Porphyrin-Corrole Dyads
Authors of publication	Roger Guilard; Claude P. Gros; Jean-Michel Barbe; Enrique Espinosa; François Jérôme; Alain Tabard; Jean-Marc Latour; Jianguo Shao; Zhongping Ou; Karl M. Kadish
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7441 - 7455
a	16.087 ± 0.0004 Å
b	35.109 ± 0.002 Å
c	19.139 ± 0.0008 Å
α	90°
β	95.183 ± 0.003°
γ	90°
Cell volume	10765.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.134
Residual factor for significantly intense reflections	0.094
Weighted residual factors for all reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections	1.124
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179159 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312018.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312018.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312018.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4312018.cif
3520	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312018 via cif-deposit CGI script.	4312018.cif