Crystallography Open Database

Information card for entry 7039577

Preview

Coordinates	7039577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Cl2 Co N4 O
Calculated formula	C36 H54 Cl2 Co N4 O
SMILES	[Co]123(Cl)[N](CC[NH]2Cc2c(cc(cc2C)C)C)(CC[NH]1Cc1c(C)cc(cc1C)C)CC[NH]3Cc1c(cc(cc1C)C)C.[Cl-].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	14.6745 ± 0.0009 Å
b	15.549 ± 0.0009 Å
c	17.112 ± 0.0011 Å
α	90°
β	105.099 ± 0.007°
γ	90°
Cell volume	3769.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0681
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.296
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.	7039577.cif
183660	2016-06-17	cif/ Adding structures of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 via cif-deposit CGI script.	7039577.cif