Crystallography Open Database

Information card for entry 7009270

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Coordinates	7009270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H64 Ga2 Mn2 O8 Si6
Calculated formula	C33 H64 Ga2 Mn2 O8 Si6
SMILES	[Ga]1([Mn]2([Ga]([Mn]12(C#[O])(C#[O])(C#[O])C#[O])C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])C#[O])C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C1CCCC1
Title of publication	Replacement of CO ligands by the isolobal gallium(I) compound GaR [R = C(SiMe3)3], formation of the transition metal gallium compounds Mn2(CO)8(μ-GaR)2 and Fe3(CO)9(μ-CO)(μ-GaR)2
Authors of publication	Uhl, Werner; Benter, Maike; Prött, Malte
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	5
Pages of publication	643
a	21.2302 ± 0.0017 Å
b	9.4767 ± 0.0004 Å
c	23.7715 ± 0.0018 Å
α	90°
β	95.39 ± 0.009°
γ	90°
Cell volume	4761.5 ± 0.6 Å³
Cell temperature	193 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	0.1405
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	0.655
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179796 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/92.	7009270.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7009270.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009270.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009270.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009270.cif