Crystallography Open Database

Information card for entry 4339668

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Coordinates	4339668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H49 Ce Mn6 N O41
Calculated formula	C18 H31 Ce Mn6 N O32.5
Title of publication	Mixed transition metal-lanthanide complexes at high oxidation states: heteronuclear CeIVMnIV clusters.
Authors of publication	Tasiopoulos, Anastasios J.; Milligan, Jr, Paul L; Abboud, Khalil A.; O'Brien, Ted A; Christou, George
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9678 - 9691
a	12.562 ± 0.0008 Å
b	12.9151 ± 0.0008 Å
c	16.158 ± 0.002 Å
α	101.898 ± 0.002°
β	100.689 ± 0.002°
γ	113.435 ± 0.002°
Cell volume	2246.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0935
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	0.794
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
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339668.cif
117464	2014-06-15	cif/ Adding structures of 4339668 via cif-deposit CGI script.	4339668.cif