Crystallography Open Database

Information card for entry 7037166

Preview

Coordinates	7037166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H42 Cl2 Mn2 N8 O4
Calculated formula	C50 H42 Cl2 Mn2 N8 O4
SMILES	[Mn]123(Cl)[O]4[Mn]56(Cl)[O]3c3c7cc(cc3C=[N]5c3ccccc3Oc3ccccc3[N]6=Cc3c4c(cc(c3)C)C=[N]1c1ccccc1Oc1ccccc1[N]2=C7)C.N#CC.N#CC.N#CC.N#CC
Title of publication	Manganese coordination chemistry of bis(imino)phenoxide derived [2 + 2] Schiff-base macrocyclic ligands.
Authors of publication	Yang, Wenxue; Zhao, Ke-Qing; Wang, Bi-Qin; Redshaw, Carl; Elsegood, Mark R. J.; Zhao, Jiang-Lin; Yamato, Takehiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	226 - 236
a	9.0678 ± 0.0003 Å
b	14.5779 ± 0.0006 Å
c	18.8111 ± 0.0007 Å
α	72.522 ± 0.003°
β	83.68 ± 0.003°
γ	87.859 ± 0.003°
Cell volume	2357.39 ± 0.16 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 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	0.0566
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176110 (current)	2016-02-05	cif/ Updating files of 7037163, 7037164, 7037165, 7037166, 7037167, 7037168, 7037169 Original log message: Adding full bibliography for 7037163--7037169.cif.	7037166.cif
170245	2015-11-12	cif/ Adding structures of 7037163, 7037164, 7037165, 7037166, 7037167, 7037168, 7037169 via cif-deposit CGI script.	7037166.cif