Crystallography Open Database

Information card for entry 7041065

Preview

Coordinates	7041065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 Mn N4 O10
Calculated formula	C10 H24 Mn N4 O10
SMILES	[Mn]12345([OH]CC[N]5(CC[N]4(CC[OH]2)CC[OH]3)CC[OH]1)ON(=O)=O.O=N(=O)[O-]
Title of publication	Rational serendipity: "undirected" synthesis of a large {MnCu} complex from pre-formed Mn(II) building blocks.
Authors of publication	Frost, Jamie M.; Kettles, Fraser J.; Wilson, Claire; Murrie, Mark
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	45
Pages of publication	18094 - 18097
a	13.4 ± 0.0002 Å
b	13.881 ± 0.0002 Å
c	17.5344 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3261.49 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
190160 (current)	2017-01-09	cif/ Updating files of 7041065, 7041066 Original log message: Adding full bibliography for 7041065--7041066.cif.	7041065.cif
187679	2016-10-29	cif/ Adding structures of 7041065, 7041066 via cif-deposit CGI script.	7041065.cif