Crystallography Open Database

Information card for entry 2006877

2006876 << 2006877 >> 2006878

Preview

Coordinates	2006877.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese
Formula	C20 H22 Cl Mn2 O8 P
Calculated formula	C20 H22 Cl Mn2 O8 P
SMILES	C(#[O])[Mn]1(C#[O])(C#[O])(C#[O])[P](C2CCCCC2)(C2CCCCC2)[Mn](C#[O])(C#[O])(C#[O])(C#[O])[Cl]1
Title of publication	Octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese
Authors of publication	Flörke, Ulrich; Haupt, Hans-Jürgen
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	12
Pages of publication	1799 - 1801
a	17.659 ± 0.003 Å
b	8.477 ± 0.002 Å
c	17.763 ± 0.003 Å
α	90°
β	114.1 ± 0.01°
γ	90°
Cell volume	2427.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections	1.028
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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