Crystallography Open Database

Information card for entry 7039576

Preview

Coordinates	7039576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 Cl2 Co N3 O2
Calculated formula	C24 H39 Cl2 Co N3 O2
SMILES	[Co]12(Cl)(Cl)([OH2])[NH](Cc3c(cc(cc3C)C)C)CC[NH]2CC[NH]1Cc1c(C)cc(cc1C)C.O
Title of publication	Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.
Authors of publication	Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	10979 - 10988
a	27.9485 ± 0.0017 Å
b	11.5046 ± 0.0005 Å
c	8.5689 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2755.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
185403 (current)	2016-08-07	cif/ Updating files of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 Original log message: Adding full bibliography for 7039575--7039580.cif.	7039576.cif
183660	2016-06-17	cif/ Adding structures of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 via cif-deposit CGI script.	7039576.cif