Crystallography Open Database

Information card for entry 7125226

Preview

Coordinates	7125226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H52 B20 Co N2 S4
Calculated formula	C16 H52 B20 Co N2 S4
Title of publication	A carborane-incorporated mononuclear Co(ii) complex showing zero-field slow magnetic relaxation.
Authors of publication	Tu, Deshuang; Shao, Dong; Yan, Hong; Lu, Changsheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	99
Pages of publication	14326 - 14329
a	36.4636 ± 0.0015 Å
b	9.9056 ± 0.0004 Å
c	9.921 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3583.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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