Crystallography Open Database

Information card for entry 7037163

Preview

Coordinates	7037163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H49 Cl4 Mn2 N7 O2
Calculated formula	C52 H49 Cl4 Mn2 N7 O2
SMILES	[Mn]123([Cl][Mn](Cl)(Cl)Cl)Oc4c5cc(cc4C=[NH+]c4ccccc4CCc4ccccc4[N]1=Cc1cc(cc(c1O2)C=[NH+]c1ccccc1CCc1ccccc1[N]3=C5)C)C.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	11.2704 ± 0.0015 Å
b	11.895 ± 0.002 Å
c	20.373 ± 0.004 Å
α	106.635 ± 0.01°
β	94.676 ± 0.012°
γ	103.633 ± 0.013°
Cell volume	2510.4 ± 0.8 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0608
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.6942 Å
Diffraction radiation type	synchrotron
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.	7037163.cif
170245	2015-11-12	cif/ Adding structures of 7037163, 7037164, 7037165, 7037166, 7037167, 7037168, 7037169 via cif-deposit CGI script.	7037163.cif