Crystallography Open Database

Information card for entry 7045018

Preview

Coordinates	7045018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H88 Cl Li2 Mn O12 Si4
Calculated formula	C72 H88 Cl Li2 Mn O12 Si4
Title of publication	High-yield synthesis of a unique Mn(iii) siloxide complex through KMnO<sub>4</sub> oxidation of a Mn(ii) precursor.
Authors of publication	Lorenz, Volker; Ehle, Sophie; Liebing, Phil; Engelhardt, Felix; Hashemi-Haeri, Haleh; Oehler, Florian; Hinderberger, Dariush; Busse, Sabine; Urbaschok, Jens; Edelmann, Frank T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	47
Journal issue	1
Pages of publication	62 - 66
a	10.447 ± 0.003 Å
b	15.753 ± 0.004 Å
c	21.429 ± 0.004 Å
α	90°
β	101.33 ± 0.02°
γ	90°
Cell volume	3457.9 ± 1.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.24
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
229386 (current)	2019-11-17	cif/ Updating files of 7045018, 7045019 Original log message: Adding full bibliography for 7045018--7045019.cif.	7045018.cif
204176	2017-12-12	cif/ Adding structures of 7045018, 7045019 via cif-deposit CGI script.	7045018.cif