Crystallography Open Database

Information card for entry 7700199

Preview

Coordinates	7700199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H70 B Co F25 O P4
Calculated formula	C84 H70 B Co F25 O P4
Title of publication	Direct oxide transfer from an η<sup>2</sup>-keto ligand to generate a cobalt PC<sub>carbene</sub>P(O) pincer complex.
Authors of publication	Sung, Simon; Tinnermann, Hendrik; Krämer, Tobias; Young, Rowan D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	27
Pages of publication	9920 - 9924
a	13.3734 ± 0.0014 Å
b	18.074 ± 0.0019 Å
c	18.5411 ± 0.0019 Å
α	101.092 ± 0.004°
β	94.248 ± 0.004°
γ	106.328 ± 0.004°
Cell volume	4181.2 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for all reflections	0.2362
Weighted residual factors for significantly intense reflections	0.1996
Weighted residual factors for all reflections included in the refinement	0.2357
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223876 (current)	2019-11-07	cif/ Updating files of 7700199, 7700200, 7700201, 7700202 Original log message: Adding full bibliography for 7700199--7700202.cif.	7700199.cif
215769	2019-06-08	cif/ Adding structures of 7700199, 7700200, 7700201, 7700202 via cif-deposit CGI script.	7700199.cif