Crystallography Open Database

Information card for entry 1551548

Preview

Coordinates	1551548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 Cl Mn2 N3 O7
Calculated formula	C37 H32 Cl Mn2 N3 O7
SMILES	[Mn]1234([O]=C(c5ccccc5)O[Mn]56([O]1Cc1ccccc1[N]4=Cc1ccccc1O2)([O]3Cc1ccccc1[N]5=Cc1ccccc1O6)[OH2])Cl.N#CC
Title of publication	Crystal Structure and Magnetic Properties of an Asymmetrical Dinuclear Mn(III) Complex with <i>N</i>-(2-Oxymethylphenyl)salicylideneimine
Authors of publication	SUEMITSU, Yuki; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki
Journal of publication	X-ray Structure Analysis Online
Year of publication	2018
Journal volume	34
Journal issue	0
Pages of publication	29
a	10.9807 ± 0.0015 Å
b	12.329 ± 0.0017 Å
c	14.492 ± 0.002 Å
α	80.004 ± 0.01°
β	74.181 ± 0.008°
γ	64.614 ± 0.007°
Cell volume	1701.7 ± 0.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.0486
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216158 (current)	2019-06-20	cif/ Adding structures of 1551548 via cif-deposit CGI script.	1551548.cif