Crystallography Open Database

Information card for entry 7705901

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Structure parameters

Formula	C48 H32 Cl2 Co N4 O8
Calculated formula	C48 H32 Cl2 Co N4 O8
SMILES	[Co]12([n]3c(ccc4ccc5ccc([n]1c5c34)c1ccccc1)c1ccccc1)[n]1c(ccc3ccc4ccc([n]2c4c13)c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Slow magnetization relaxation in a tetrahedrally coordinated mononuclear Co(II) complex exclusively ligated with phenanthroline ligands.
Authors of publication	Wu, Chen-Ming; Tsai, Jae-En; Lee, Gene-Hsiang; Yang, En-Che
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16813 - 16820
a	7.8409 ± 0.0004 Å
b	12.863 ± 0.0006 Å
c	20.4373 ± 0.001 Å
α	88.1321 ± 0.0011°
β	89.0043 ± 0.0011°
γ	79.0659 ± 0.001°
Cell volume	2022.63 ± 0.17 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7705901.cif
259703	2020-12-09	cif/ Adding structures of 7705901 via cif-deposit CGI script.	7705901.cif