Crystallography Open Database

Information card for entry 7060979

Preview

Coordinates	7060979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Co I O2 P3
Calculated formula	C30 H34 Co I O2 P3
SMILES	I[Co]12([P](OCC2CO[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C)(C)C
Title of publication	Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes
Authors of publication	Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19950 - 19956
a	21.426 ± 0.0011 Å
b	15.1726 ± 0.0007 Å
c	18.2179 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5922.4 ± 0.5 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	0.916
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270476 (current)	2021-11-06	cif/ Updating files of 7060978, 7060979, 7060980, 7060981 Original log message: Adding full bibliography for 7060978--7060981.cif.	7060979.cif
269389	2021-09-30	cif/ Adding structures of 7060978, 7060979, 7060980, 7060981 via cif-deposit CGI script.	7060979.cif