Crystallography Open Database

Information card for entry 7037167

Preview

Coordinates	7037167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H45 Cl2 Mn2 N5 O4
Calculated formula	C48 H42 Cl2 Mn2 N4 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	13.574 ± 0.0014 Å
b	9.1261 ± 0.0011 Å
c	22.833 ± 0.003 Å
α	90°
β	102.45 ± 0.01°
γ	90°
Cell volume	2762 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0838
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	0.921
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
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.	7037167.cif
170245	2015-11-12	cif/ Adding structures of 7037163, 7037164, 7037165, 7037166, 7037167, 7037168, 7037169 via cif-deposit CGI script.	7037167.cif