Crystallography Open Database

Information card for entry 7039575

Preview

Coordinates	7039575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 Cl2 Co N4 O5
Calculated formula	C44 H64 Cl2 Co N4 O5
SMILES	Cc1cc(C)cc(c1C[NH]1[Co]2([NH](Cc3c(cc(C)cc3C)C)CC[NH]2Cc2c(cc(cc2C)C)C)([NH](CC1)Cc1c(cc(cc1C)C)C)(Cl)Cl)C.O.O.O.O.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	14.2041 ± 0.0006 Å
b	10.6502 ± 0.0004 Å
c	16.5585 ± 0.0006 Å
α	90°
β	95.337 ± 0.004°
γ	90°
Cell volume	2494.05 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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.	7039575.cif
183660	2016-06-17	cif/ Adding structures of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 via cif-deposit CGI script.	7039575.cif