Crystallography Open Database

Information card for entry 7037168

Preview

Coordinates	7037168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H66 Cl2 Mn2 N6 O4
Calculated formula	C62 H66 Cl2 Mn2 N6 O4
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	9.251 ± 0.003 Å
b	12.594 ± 0.004 Å
c	12.781 ± 0.004 Å
α	82.736 ± 0.005°
β	83.976 ± 0.005°
γ	70.543 ± 0.005°
Cell volume	1389.6 ± 0.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1215
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2344
Weighted residual factors for all reflections included in the refinement	0.2732
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.6897 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7037168.cif
170245	2015-11-12	cif/ Adding structures of 7037163, 7037164, 7037165, 7037166, 7037167, 7037168, 7037169 via cif-deposit CGI script.	7037168.cif