Crystallography Open Database

Information card for entry 7052713

Preview

Coordinates	7052713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H74 Br6 Cl2 In2 N4
Calculated formula	C62 H72 Br6 In2 N4
SMILES	C12c3c4c(C1=[N](c1c(cccc1C(C)C)C(C)C)[In]([N]=2c1c(cccc1C(C)C)C(C)C)(Br)(Br)Br)ccc1C2C(c(c41)cc3)=[N](c1c(cccc1C(C)C)C(C)C)[In]([N]=2c1c(cccc1C(C)C)C(C)C)(Br)(Br)Br
Title of publication	New bimetallic complexes supported by a tetrakis(imino)pyracene (TIP) ligand
Authors of publication	Vasudevan, Kalyan V.; Cowley, Alan H.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2043
a	10.178 ± 0.005 Å
b	21.687 ± 0.005 Å
c	15.394 ± 0.005 Å
α	90°
β	92.761 ± 0.005°
γ	90°
Cell volume	3394 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0954
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7052713.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052713.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052713.cif
28132	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052709, 7052710, 7052711, 7052712, 7052713 via cif-deposit CGI script.	7052713.cif