Crystallography Open Database

Information card for entry 7060981

Preview

Coordinates	7060981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H59 Cl Co N2 O2 P3 Si
Calculated formula	C46 H59 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(C)(C)C)=C(N1C(C)(C)C)c1ccc(cc1)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	13.6916 ± 0.0005 Å
b	13.9509 ± 0.0008 Å
c	47.3618 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	9046.6 ± 0.6 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	8
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	0.0488
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7060981.cif
269389	2021-09-30	cif/ Adding structures of 7060978, 7060979, 7060980, 7060981 via cif-deposit CGI script.	7060981.cif