Crystallography Open Database

Information card for entry 7027906

Preview

Coordinates	7027906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cl2 Ge O6 W2
Calculated formula	C16 H10 Cl2 Ge O6 W2
SMILES	[W]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])(C#[O])[Ge](Cl)(Cl)[W]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])C#[O]
Title of publication	Dimetallagermanes of molybdenum and tungsten: synthesis, structure and reactions
Authors of publication	Filippou, Alexander C.; Winter, Johannes G.; Kociok-Köhn, Gabriele; Hinz, Isolde
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	12
Pages of publication	2029
a	11.37 ± 0.003 Å
b	14.848 ± 0.004 Å
c	23.811 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4020 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0477
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for all reflections	0.1092
Weighted residual factors for significantly intense reflections	0.0969
Goodness-of-fit parameter for all reflections	1.028
Goodness-of-fit parameter for significantly intense reflections	1.048
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
179985 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/79.	7027906.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.	7027906.cif
96594	2014-01-29	cif/ Adding structures of 7027906, 7027907, 7027908 via cif-deposit CGI script.	7027906.cif