Crystallography Open Database

Information card for entry 7033397

Preview

Coordinates	7033397.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co3-BPh4
Formula	C100 H92 B2 Co3 N8 O8
Calculated formula	C100 H88 B2 Co3 N8 O8
Title of publication	Linear trinuclear cobalt(ii) single molecule magnet.
Authors of publication	Zhang, Yuan-Zhu; Brown, Andrew J.; Meng, Yin-Shan; Sun, Hao-Ling; Gao, Song
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	6
Pages of publication	2865 - 2870
a	11.5855 ± 0.0005 Å
b	14.4488 ± 0.0006 Å
c	15.1235 ± 0.0008 Å
α	72.292 ± 0.002°
β	67.952 ± 0.002°
γ	69.59 ± 0.002°
Cell volume	2154.99 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1626
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.834
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033397.cif
133359	2015-03-06	cif/ Updating files of 7033397 Original log message: Adding full bibliography for 7033397.cif.	7033397.cif
128539	2014-12-12	cif/ Adding structures of 7033397 via cif-deposit CGI script.	7033397.cif