Crystallography Open Database

Information card for entry 7045019

Preview

Coordinates	7045019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H96 Cl2 Li4 Mn O13 Si4
Calculated formula	C75.996 H95.992 Cl2 Li4 Mn O12.999 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	13.5878 ± 0.0003 Å
b	42.7842 ± 0.0012 Å
c	13.6537 ± 0.0003 Å
α	90°
β	98.723 ± 0.002°
γ	90°
Cell volume	7845.7 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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.	7045019.cif
204176	2017-12-12	cif/ Adding structures of 7045018, 7045019 via cif-deposit CGI script.	7045019.cif