Crystallography Open Database

Information card for entry 7212641

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Structure parameters

Formula	C30 H20 Cl2 Co F12 N6 P2
Calculated formula	C30 H20 Cl2 Co F12 N6 P2
SMILES	c1cccc2c3cc(cc4c5[n]([Co]67([n]34)([n]3c(cc(cc3c3[n]7cccc3)Cl)c3[n]6cccc3)[n]12)cccc5)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
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	8.94 ± 0.0013 Å
b	8.94 ± 0.0013 Å
c	20.236 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1617.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7212641.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7212641.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.	7212641.cif