Crystallography Open Database

Information card for entry 1500007

Preview

Coordinates	1500007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 Br4 Cd Cl4 Co2 N8
Calculated formula	C8 H32 Br4 Cd Cl4 Co2 N8
SMILES	[Cd](Br)(Br)([Br-])[Br-].[Co]12(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Co]12(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CC[NH2]2
Title of publication	Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~
Authors of publication	Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós
Journal of publication	Journal of Molecular Structure
Year of publication	2006
Journal volume	794
Pages of publication	341 - 347
a	18.6201 ± 0.001 Å
b	12.0872 ± 0.0006 Å
c	24.0877 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5421.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.2214
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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