Crystallography Open Database

Information card for entry 7212639

Preview

Coordinates	7212639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41.5 Co F18 N8.5 O2 P3
Calculated formula	C41 H41.5 Co F18 N8.5 O2 P3
Title of publication	Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes
Authors of publication	Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	2949
a	10.5795 ± 0.0004 Å
b	13.4992 ± 0.0004 Å
c	20.4174 ± 0.0008 Å
α	72.619 ± 0.002°
β	89.8082 ± 0.0017°
γ	78.331 ± 0.002°
Cell volume	2720.17 ± 0.17 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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 all reflections	0.1277
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for all reflections	0.1008
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.1113
Diffraction radiation wavelength	0.71073 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.	7212639.cif
93181	2014-01-12	cif/ Adding structures of 7212637, 7212638, 7212639, 7212640, 7212641, 7212642, 7212643, 7212644, 7212645, 7212646, 7212647 via cif-deposit CGI script.	7212639.cif