Crystallography Open Database

Information card for entry 7003655

Preview

Coordinates	7003655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115.5 H116 B2 Mn2 N10 Ni O9.5
Calculated formula	C115.5 H100 B2 Mn2 N10 Ni O9.5
Title of publication	A MnIII2NiII single-chain magnet separated by a thick isolating network of BPh4− anions
Authors of publication	Miyasaka, Hitoshi; Saitoh, Ayumi; Yamashita, Masahiro; Clérac, Rodolphe
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	18
Pages of publication	2422 - 2427
a	14.844 ± 0.004 Å
b	15.531 ± 0.004 Å
c	25.081 ± 0.007 Å
α	86.963 ± 0.011°
β	76.174 ± 0.01°
γ	62.04 ± 0.007°
Cell volume	4948 ± 2 Å³
Cell temperature	93.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003655.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003655.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003655.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003655.cif