Crystallography Open Database

Information card for entry 2012764

2012763 << 2012764 >> 2012765

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Structure parameters

Chemical name	Λ-trans(O)-(1,2-diaminoethane)bis(S-tyrosinato)cobalt(III) chloride tetrahydrate
Formula	C20 H36 Cl Co N4 O10
Calculated formula	C20 H36 Cl Co N4 O10
SMILES	[Co]123([NH2]CC[NH2]1)(OC(=O)[C@@H]([NH2]2)Cc1ccc(O)cc1)OC(=O)[C@@H]([NH2]3)Cc1ccc(O)cc1.[Cl-].O.O.O.O
Title of publication	Mixed cobalt(III) complexes with aromatic amino acids and diamines. III. Absolute structure of Λ-<i>trans</i>(O)-(1,2-diaminoethane-κ^2^<i>N</i>,<i>N</i>)bis(<i>S</i>-tyrosinato)cobalt(III) chloride tetrahydrate
Authors of publication	Bogdanović, Goran A.; Miodragović, Djenana U.; Malinar, Mijat J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	m338 - m340
a	8.232 ± 0.003 Å
b	15.348 ± 0.005 Å
c	10.539 ± 0.003 Å
α	90°
β	94.5 ± 0.02°
γ	90°
Cell volume	1327.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 3 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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