Crystallography Open Database

Information card for entry 7016267

Preview

Coordinates	7016267.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HB(C5H7N2)3Zr(NC2H6)2NH2B(C6F5)3.C5H12
Formula	C42 H48 B2 F15 N9 Zr
Calculated formula	C42 H36 B2 F15 N9 Zr
Title of publication	Tris(pyrazolyl)borate amidoborane complexes of the group 4 metals.
Authors of publication	Fuller, Anna-Marie; Hughes, David L.; Lancaster, Simon J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	28
Pages of publication	7434 - 7441
a	11.2726 ± 0.0005 Å
b	11.8733 ± 0.0006 Å
c	17.9169 ± 0.0008 Å
α	80.54 ± 0.004°
β	89.161 ± 0.004°
γ	81.252 ± 0.004°
Cell volume	2337.79 ± 0.19 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.171
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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