Crystallography Open Database

Information card for entry 7121196

Preview

Coordinates	7121196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H78 Cl2 Hf N2 P2
Calculated formula	C58 H78 Cl2 Hf N2 P2
Title of publication	Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).
Authors of publication	Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	16
Pages of publication	2052 - 2055
a	13.3358 ± 0.0006 Å
b	25.5782 ± 0.0013 Å
c	31.842 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	10861.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228285 (current)	2019-11-17	cif/ Updating files of 7121193, 7121194, 7121195, 7121196 Original log message: Adding full bibliography for 7121193--7121196.cif.	7121196.cif
205768	2018-01-27	cif/ Adding structures of 7121193, 7121194, 7121195, 7121196 via cif-deposit CGI script.	7121196.cif