Crystallography Open Database

Information card for entry 7039037

Preview

Coordinates	7039037.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(p-BrAr-BIAN)InCl3
Formula	C30 H28 Br2 Cl3 In N4 O2
Calculated formula	C30 H28 Br2 Cl3 In N4 O2
SMILES	[In]1(Cl)(Cl)(Cl)([N](c2ccc(Br)cc2)=C2C(c3cccc4cccc2c34)=[N]1c1ccc(Br)cc1)[O]=CN(C)C.C(=O)N(C)C
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	12.412 ± 0.001 Å
b	19.7758 ± 0.0015 Å
c	13.5227 ± 0.001 Å
α	90°
β	107.797 ± 0.003°
γ	90°
Cell volume	3160.4 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0686
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
185526 (current)	2016-08-07	cif/ Updating files of 7039036, 7039037 Original log message: Adding full bibliography for 7039036--7039037.cif.	7039037.cif
182169	2016-04-16	cif/ Adding structures of 7039036, 7039037 via cif-deposit CGI script.	7039037.cif