Crystallography Open Database

Information card for entry 7024719

Preview

Coordinates	7024719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H58 Cl2 Mo N6 O4
Calculated formula	C45 H58 Cl2 Mo N6 O4
SMILES	[Mo]123(Cl)(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)ccc(c2)C(=O)O.N#CC.N#CC.N#CC.N#CC
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	15.129 ± 0.002 Å
b	16.508 ± 0.003 Å
c	20.585 ± 0.003 Å
α	90°
β	106.592 ± 0.003°
γ	90°
Cell volume	4927 ± 1.3 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 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	0.1384
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	7024719.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.	7024719.cif