Crystallography Open Database

Information card for entry 4339671

Preview

Coordinates	4339671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H46.5 Ce3 Mn2 N6.5 O34.5
Calculated formula	C36 H43.5 Ce3 Mn2 N3.5 O34.5
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	18.4824 ± 0.001 Å
b	15.44 ± 0.0008 Å
c	18.8592 ± 0.001 Å
α	90°
β	104.376 ± 0.001°
γ	90°
Cell volume	5213.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339671.cif
117467	2014-06-15	cif/ Adding structures of 4339671 via cif-deposit CGI script.	4339671.cif