Crystallography Open Database

Information card for entry 7118696

Preview

Coordinates	7118696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H51 Co N2 O
Calculated formula	C38 H51 Co N2 O
SMILES	C([Co]1234(=C5N(C=CN5c5c(cccc5C(C)C)C(C)C)c5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)#[O]
Title of publication	Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex.
Authors of publication	Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	12
Pages of publication	2469 - 2472
a	23.5831 ± 0.0006 Å
b	17.9998 ± 0.0005 Å
c	16.1483 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6854.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	0.9884
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	7118696.cif
205752	2018-01-26	cif/7 Fixing some Z values and formulae	7118696.cif
175440	2016-02-03	cif/ Adding structures of 7118695, 7118696 via cif-deposit CGI script.	7118696.cif