Crystallography Open Database

Information card for entry 7026252

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Coordinates	7026252.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(2,2':6',2''-terpyridine)cobalt(II) ditetrafluoroborate
Formula	C30 H22 B2 Co F8 N6
Calculated formula	C30 H22 B2 Co F8 N6
Title of publication	An unusual discontinuity in the thermal spin transition in [Co(terpy)2][BF4]2.
Authors of publication	Kilner, Colin A.; Halcrow, Malcolm A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	38
Pages of publication	9008 - 9012
a	12.6512 ± 0.001 Å
b	12.5056 ± 0.001 Å
c	19.5416 ± 0.0015 Å
α	90°
β	96.416 ± 0.004°
γ	90°
Cell volume	3072.3 ± 0.4 Å³
Cell temperature	350 ± 2 K
Ambient diffraction temperature	350 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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