Crystallography Open Database

Information card for entry 7114928

Preview

Coordinates	7114928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H104 Cl12 Mn12 N6 O32
Calculated formula	C104 H104 Cl12 Mn12 N6 O32
Title of publication	A new class of single-molecule magnets: mixed-valent [Mn12O8Cl4(O2CPh)8(hmp)6]
Authors of publication	Boskovic, Colette; Brechin, Euan K.; Streib, William E.; Folting, Kirsten; Christou, George; Hendrickson, David N.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	5
Pages of publication	467
a	14.2602 ± 0.0012 Å
b	14.8241 ± 0.0012 Å
c	15.7931 ± 0.0014 Å
α	94.558 ± 0.002°
β	92.773 ± 0.002°
γ	114.916 ± 0.002°
Cell volume	3005.9 ± 0.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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 significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.5743
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
180263 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/49.	7114928.cif
118425	2014-06-30	cif/ Adding structures of 7114927, 7114928 via cif-deposit CGI script.	7114928.cif