Crystallography Open Database

Information card for entry 4339861

Preview

Coordinates	4339861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H184 Mn16 O61
Calculated formula	C80 H154 Mn16 O58
Title of publication	High-spin Mn wheels.
Authors of publication	Manoli, Maria; Prescimone, Alessandro; Bagai, Rashmi; Mishra, Abhudaya; Murugesu, Muralee; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6968 - 6979
a	13.414 ± 0.0004 Å
b	15.906 ± 0.0004 Å
c	17.987 ± 0.0005 Å
α	66.487 ± 0.002°
β	82.684 ± 0.002°
γ	71.82 ± 0.002°
Cell volume	3343.42 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for all reflections	0.1436
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	0.9383
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4339861.cif
117586	2014-06-15	cif/ Adding structures of 4339861 via cif-deposit CGI script.	4339861.cif