Crystallography Open Database

Information card for entry 7712990

Preview

Coordinates	7712990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 Co N4 O4
Calculated formula	C34 H28 Co N4 O4
SMILES	[Co]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[n]1c2c(nc(c4ncccc4)c1c1[n]3cccc1)c1cccc3cccc2c13
Title of publication	Cobalt(II) coordination to N4-acenaphthene-based ligand and its sodium complex
Authors of publication	Khrizanforova, Vera; Fayzullin, Robert R.; Bogomyakov, Artem; Morozov, Vladimir; Batulin, Ruslan Germanovich; Gerasimova, Tatiana; Islamov, Daut; Budnikova, Yulia H.
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.3708 ± 0.0004 Å
b	15.4254 ± 0.0006 Å
c	21.0842 ± 0.0008 Å
α	77.3928 ± 0.001°
β	77.0413 ± 0.001°
γ	88.9629 ± 0.001°
Cell volume	3206.1 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283634 (current)	2023-05-10	cif/ Adding structures of 7712986, 7712987, 7712988, 7712989, 7712990, 7712991, 7712992, 7712993 via cif-deposit CGI script.	7712990.cif