Crystallography Open Database

Information card for entry 4339673

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Coordinates	4339673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H43 Ce Cl Mn6 O38
Calculated formula	C20 H31.5 Ce Cl Mn6 O38
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	12.2133 ± 0.0007 Å
b	13.0106 ± 0.0008 Å
c	16.6337 ± 0.001 Å
α	99.056 ± 0.002°
β	101.581 ± 0.002°
γ	111.188 ± 0.002°
Cell volume	2336.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	193 ± 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	0.097
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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.	4339673.cif
117469	2014-06-15	cif/ Adding structures of 4339673 via cif-deposit CGI script.	4339673.cif