Crystallography Open Database

Information card for entry 7013738

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Coordinates	7013738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H44 B Cl Co N6
Calculated formula	C51.5 H40 B Cl Co N6
Title of publication	The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.
Authors of publication	Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	4
Pages of publication	598 - 604
a	8.8802 ± 0.0003 Å
b	9.6596 ± 0.0003 Å
c	26.4251 ± 0.0011 Å
α	88.686 ± 0.002°
β	81.024 ± 0.003°
γ	74.429 ± 0.002°
Cell volume	2156.36 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0855
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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