Crystallography Open Database

Information card for entry 4070423

Preview

Coordinates	4070423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 Cl2 In O
Calculated formula	C24 H25 Cl2 In O
SMILES	Cc1c(c2cccc(c3c(cc(cc3C)C)C)c2[In](Cl)(Cl)[OH2])c(cc(C)c1)C
Title of publication	Synthesis and Structure of Polynuclear Indoxanes and Thalloxanes Containing Bulkym-Terphenyl Substituents
Authors of publication	Ahmad, S. Usman; Beckmann, Jens
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	24
Pages of publication	6893
a	8.292 ± 0.004 Å
b	15.249 ± 0.008 Å
c	19.409 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	2454 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
178593 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/04.	4070423.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070423.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070423.cif
40718	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070422, 4070423, 4070424, 4070425, 4070426, 4070427, 4070428, 4070429, 4070430 via cif-deposit CGI script.	4070423.cif