Crystallography Open Database

Information card for entry 7705864

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Coordinates	7705864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H52 Cl2 Hf N2 P4
Calculated formula	C60 H52 Cl2 Hf N2 P4
Title of publication	Asymmetric bis-PNP pincer complexes of zirconium and hafnium - a measure of hemilability.
Authors of publication	Idelson, Celia; Webster, Leah; Krämer, Tobias; Chadwick, F. Mark
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16653 - 16656
a	11.07535 ± 0.00003 Å
b	13.14605 ± 0.00003 Å
c	20.39291 ± 0.00004 Å
α	84.873 ± 0.004°
β	86.804 ± 0.005°
γ	66.482 ± 0.005°
Cell volume	2710.97 ± 0.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1028
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for all reflections	0.2571
Weighted residual factors for significantly intense reflections	0.2129
Weighted residual factors for all reflections included in the refinement	0.2571
Goodness-of-fit parameter for all reflections included in the refinement	1.5867
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259690 (current)	2020-12-09	cif/ Adding structures of 7705862, 7705863, 7705864 via cif-deposit CGI script.	7705864.cif