Crystallography Open Database

Information card for entry 2006317

2006316 << 2006317 >> 2006318

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Coordinates	2006317.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese)
Formula	C14 H12 Br Mn2 O8 P
Calculated formula	C14 H12 Br Mn2 O8 P
SMILES	[Br]1[Mn]([PH]([Mn]1(C#[O])(C#[O])(C#[O])C#[O])C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	μ-Bromo-μ-cyclohexylphosphido-bis(tetracarbonylmanganese) and μ-Bromo-μ-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)
Authors of publication	Flörke, Ulrich; Haupt, Hans-Jürgen
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	7
Pages of publication	876 - 879
a	9.933 ± 0.002 Å
b	17.111 ± 0.003 Å
c	12.076 ± 0.002 Å
α	90°
β	108.21 ± 0.02°
γ	90°
Cell volume	1949.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1277
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for all reflections	0.0994
Weighted residual factors for significantly intense reflections	0.0723
Goodness-of-fit parameter for all reflections	1.032
Goodness-of-fit parameter for significantly intense reflections	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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