Crystallography Open Database

Information card for entry 7700200

Preview

Coordinates	7700200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H62 B Co F24 P4
Calculated formula	C94 H62 B Co F24 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	12.9047 ± 0.0004 Å
b	16.5989 ± 0.0006 Å
c	19.3561 ± 0.0007 Å
α	94.139 ± 0.001°
β	94.649 ± 0.001°
γ	95.348 ± 0.001°
Cell volume	4101.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 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	0.1064
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1656
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7700200.cif
215769	2019-06-08	cif/ Adding structures of 7700199, 7700200, 7700201, 7700202 via cif-deposit CGI script.	7700200.cif