Crystallography Open Database

Information card for entry 7112860

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Coordinates	7112860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 N4
Calculated formula	C40 H44 N4
Title of publication	"Nindigo": synthesis, coordination chemistry, and properties of indigo diimines as a new class of functional bridging ligands.
Authors of publication	Oakley, Simon R.; Nawn, Graeme; Waldie, Kate M.; MacInnis, Timothy D.; Patrick, Brian O.; Hicks, Robin G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	36
Pages of publication	6753 - 6755
a	8.6517 ± 0.0013 Å
b	9.4002 ± 0.0013 Å
c	20.764 ± 0.003 Å
α	90°
β	100.81 ± 0.008°
γ	90°
Cell volume	1658.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112860.cif
112127	2014-04-29	cif/ Adding structures of 7112860, 7112861 via cif-deposit CGI script.	7112860.cif