Crystallography Open Database

Information card for entry 7024718

Preview

Coordinates	7024718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H67 Cl Cr N9 O4
Calculated formula	C47 H61 Cl Cr N7 O4
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	15.5121 ± 0.0011 Å
b	16.7505 ± 0.0012 Å
c	21.455 ± 0.0015 Å
α	90°
β	101.405 ± 0.001°
γ	90°
Cell volume	5464.7 ± 0.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
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	0.0854
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7024718.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.	7024718.cif