Crystallography Open Database

Information card for entry 7015483

Preview

Coordinates	7015483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H42 Cl2 N6 Zn
Calculated formula	C62 H41 Cl N6 Zn
SMILES	c12c3ccccc3c(c3ccccc3)n1[Zn]1([n]3c(c4ccccc4c3c3ccccc3)=N2)[n]2c(c3ccccc3c2c2ccccc2)=Nc2c3ccccc3c(c3ccccc3)n12.c1(ccccc1)Cl
Title of publication	Homoleptic Co(II), Ni(II), Cu(II), Zn(II) and Hg(II) complexes of bis-(phenyl)-diisoindol-aza-methene.
Authors of publication	Gresser, Roland; Hoyer, Alexander; Hummert, Markus; Hartmann, Horst; Leo, Karl; Riede, Moritz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	14
Pages of publication	3476 - 3483
a	13.239 ± 0.005 Å
b	13.699 ± 0.005 Å
c	16.251 ± 0.005 Å
α	72.13 ± 0.005°
β	68.38 ± 0.005°
γ	68.57 ± 0.005°
Cell volume	2499.5 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7015483.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015483.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015483.cif
21167	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015482, 7015483 via cif-deposit CGI script.	7015483.cif