Crystallography Open Database

Information card for entry 8000000

Preview

Coordinates	8000000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H44 Cd Cl6 Co2 N10 O8 S2
Calculated formula	C12 H44 Cd Cl6 Co2 N10 O8 S2
SMILES	[Cd](Cl)(Cl)(Cl)(Cl)([S]1[Co]23([NH2]CC1)([NH2]CC[NH2]2)[NH2]CC[NH2]3)[S]1[Co]23([NH2]CC1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	The First S-Bridged CoIIICdIICoIII and CoIIICdII2CoIII Structures Controlled by Chirality of Mono(thiolato)-Type Cobalt(III) Units
Authors of publication	Takashi Aridomi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Takumi Konno
Journal of publication	Chemistry Letters
Year of publication	2005
Journal volume	34
Journal issue	3
Pages of publication	292
a	8.5547 ± 0.0014 Å
b	13.8816 ± 0.0014 Å
c	13.5666 ± 0.0013 Å
α	90°
β	96.041 ± 0.01°
γ	90°
Cell volume	1602.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
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	0.153
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.