Crystallography Open Database

Information card for entry 4332681

Preview

Coordinates	4332681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H80 Mn6 N2 O22
Calculated formula	C46 H80 Mn6 N2 O22
Title of publication	A Family of [Mn6] Complexes Featuring Tripodal Ligands
Authors of publication	Milios, Constantinos J.; Manoli, Maria; Rajaraman, Gopalan; Mishra, Abhudaya; Budd, Laura E.; White, Fraser; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	17
Pages of publication	6782 - 6793
a	11.8646 ± 0.0004 Å
b	16.8058 ± 0.0006 Å
c	14.7813 ± 0.0006 Å
α	90°
β	102.957 ± 0.003°
γ	90°
Cell volume	2872.26 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0914
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179429 (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 4/33/26.	4332681.cif
98476	2014-01-30	cif/ Adding structures of 4332681 via cif-deposit CGI script.	4332681.cif