Crystallography Open Database

Information card for entry 7024727

Preview

Coordinates	7024727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Cl Cr N4 O6
Calculated formula	C46 H62 Cl Cr N4 O6
SMILES	[Cr]123(Cl)(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]2c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cc(cc2)C(=O)O)[n]1[nH]c(cc1C)C.O1CCOCC1
Title of publication	Soluble monometallic salen complexes derived from O-functionalised diamines as metalloligands for the synthesis of heterobimetallic complexes.
Authors of publication	Schley, Michael; Fritzsche, Sebastian; Lönnecke, Peter; Hey-Hawkins, Evamarie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	17
Pages of publication	4090 - 4106
a	9.5249 ± 0.0016 Å
b	15.812 ± 0.003 Å
c	17.539 ± 0.003 Å
α	66.033 ± 0.017°
β	79.982 ± 0.016°
γ	76.191 ± 0.017°
Cell volume	2335.1 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0811
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179952 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/47.	7024727.cif
92655	2014-01-12	cif/ Adding structures of 7024717, 7024718, 7024719, 7024720, 7024721, 7024722, 7024723, 7024724, 7024725, 7024726, 7024727 via cif-deposit CGI script.	7024727.cif