Crystallography Open Database

Information card for entry 7039036

Preview

Coordinates	7039036.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(p-MeOAr-BIAN)2InCl2][InCl4]
Formula	C52 H40 Cl6 In2 N4 O4
Calculated formula	C52 H40 Cl6 In2 N4 O4
SMILES	COc1ccc(cc1)[N]1=C2C(c3cccc4cccc2c34)=[N](c2ccc(cc2)OC)[In]21(Cl)(Cl)[N](c1ccc(cc1)OC)=C1C(c3cccc4cccc1c34)=[N]2c1ccc(cc1)OC.Cl[In]([Cl-])(Cl)Cl
Title of publication	A multi-step solvent-free mechanochemical route to indium(iii) complexes.
Authors of publication	Wang, Jingyi; Ganguly, Rakesh; Yongxin, Li; Díaz, Jesus; Soo, Han Sen; García, Felipe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	19
Pages of publication	7941 - 7946
a	9.6102 ± 0.0004 Å
b	15.9145 ± 0.0007 Å
c	17.2004 ± 0.0008 Å
α	79.7863 ± 0.0013°
β	76.3618 ± 0.0014°
γ	74.1154 ± 0.0012°
Cell volume	2440.9 ± 0.19 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
206489 (current)	2018-02-18	cif/7 Fixing some Z values and formulae	7039036.cif
185526	2016-08-07	cif/ Updating files of 7039036, 7039037 Original log message: Adding full bibliography for 7039036--7039037.cif.	7039036.cif
182169	2016-04-16	cif/ Adding structures of 7039036, 7039037 via cif-deposit CGI script.	7039036.cif