Crystallography Open Database

Information card for entry 4339670

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Coordinates	4339670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 Ce Mn2 N9 O24
Calculated formula	C22 H21 Ce Mn2 N9 O24
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	9.3132 ± 0.0006 Å
b	12.3866 ± 0.0008 Å
c	17.4899 ± 0.0012 Å
α	87.81 ± 0.002°
β	83.871 ± 0.002°
γ	75.134 ± 0.002°
Cell volume	1938.8 ± 0.2 Å³
Cell temperature	193 ± 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	0.1408
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.2131
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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.	4339670.cif
117466	2014-06-15	cif/ Adding structures of 4339670 via cif-deposit CGI script.	4339670.cif