Crystallography Open Database

Information card for entry 7027907

Preview

Coordinates	7027907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cl2 Ge Mo2 O6
Calculated formula	C16 H10 Cl2 Ge Mo2 O6
SMILES	[Mo]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(C#[O])(C#[O])[Ge](Cl)(Cl)[Mo]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(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	11.295 ± 0.002 Å
b	14.832 ± 0.003 Å
c	23.68 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3967 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0532
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for all reflections	0.1188
Weighted residual factors for significantly intense reflections	0.0855
Goodness-of-fit parameter for all reflections	0.939
Goodness-of-fit parameter for significantly intense reflections	1.023
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.	7027907.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.	7027907.cif
96594	2014-01-29	cif/ Adding structures of 7027906, 7027907, 7027908 via cif-deposit CGI script.	7027907.cif