Crystallography Open Database

Information card for entry 7026094

Preview

Coordinates	7026094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Cl2 Co N4
Calculated formula	C6 H16 Cl2 Co N4
Title of publication	Coordination chemistry in the solid state: synthesis and interconversion of pyrazolium salts, pyrazole complexes, and pyrazolate MOFs.
Authors of publication	Adams, Christopher J.; Kurawa, Mukhtar A.; Orpen, A. Guy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	30
Pages of publication	6974 - 6984
a	17.896 ± 0.004 Å
b	3.6423 ± 0.0007 Å
c	6.8331 ± 0.0014 Å
α	90°
β	93.99 ± 0.03°
γ	90°
Cell volume	444.32 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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