Crystallography Open Database

Information card for entry 7024720

Preview

Coordinates	7024720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H102 Cl3 Mo2 N5 O10
Calculated formula	C80 H102 Cl3 Mo2 N5 O10
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	18.2 ± 0.006 Å
b	21.509 ± 0.007 Å
c	20.778 ± 0.007 Å
α	90°
β	92.341 ± 0.007°
γ	90°
Cell volume	8127 ± 5 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 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	0.2075
Residual factor for significantly intense reflections	0.101
Weighted residual factors for significantly intense reflections	0.2306
Weighted residual factors for all reflections included in the refinement	0.2854
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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.	7024720.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.	7024720.cif