Crystallography Open Database

Information card for entry 7060978

Preview

Coordinates	7060978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H57 Cl Co N2 O2 P3 Si
Calculated formula	C45 H57 Cl Co N2 O2 P3 Si
SMILES	[Co]12([P](OCC2CO[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C)(C)C)[Si]1(Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C(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	10.1744 ± 0.0003 Å
b	9.3902 ± 0.0002 Å
c	46.7097 ± 0.0014 Å
α	90°
β	94.478 ± 0.002°
γ	90°
Cell volume	4449 ± 0.2 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7060978.cif
269389	2021-09-30	cif/ Adding structures of 7060978, 7060979, 7060980, 7060981 via cif-deposit CGI script.	7060978.cif