Crystallography Open Database

Information card for entry 1549889

Preview

Coordinates	1549889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H60 B Co F24.5 P4 S
Calculated formula	C79 H60 B Co F24.4997 P4 S
Title of publication	Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).
Authors of publication	Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	43
Pages of publication	8234 - 8241
a	15.234 ± 0.003 Å
b	17.698 ± 0.003 Å
c	18.812 ± 0.003 Å
α	107.508 ± 0.007°
β	101.067 ± 0.008°
γ	114.08 ± 0.005°
Cell volume	4117.5 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.94 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	0.177
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.237
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
228685 (current)	2019-11-17	cif/ Updating files of 1549887, 1549888, 1549889, 1549890, 1549891, 1549892, 1549893, 1549894, 1549895, 1549896, 1549897 Original log message: Adding full bibliography for 1549887--1549897.cif.	1549889.cif
210506	2018-09-07	cif/ Adding structures of 1549887, 1549888, 1549889, 1549890, 1549891, 1549892, 1549893, 1549894, 1549895, 1549896, 1549897 via cif-deposit CGI script.	1549889.cif