Crystallography Open Database

Information card for entry 7024334

Preview

Coordinates	7024334.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H22 O16 P2 Ru6
Calculated formula	C44 H22 O16 P2 Ru6
SMILES	[Ru]1234567([Ru]89%10([Ru]%11%12%131([Ru]1%148([Ru]829([Ru]3%111([P]([C]15=[C]4([P]%12(c2ccccc2)c2ccccc2)C(=O)CC1=O)(c1ccccc1)c1ccccc1)([C]6%10%13%148)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C7=O)(C#[O])C#[O])C#[O]
Title of publication	Ligand substitution behavior of Ru(6)(mu(6)-C)(CO)(17) with unsaturated diphosphines: facile capping of a polyhedral face and photochemically promoted P-C bond cleavage in the cluster Ru(6)(mu(6)-C)(CO)(14)(mu(3)-bpcd).
Authors of publication	Kandala, Srikanth; Hammons, Casey; Watson, William H.; Wang, Xiaoping; Richmond, Michael G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1620 - 1629
a	11.379 ± 0.003 Å
b	12.392 ± 0.003 Å
c	16.831 ± 0.005 Å
α	91.301 ± 0.004°
β	102.332 ± 0.005°
γ	103.216 ± 0.004°
Cell volume	2250.8 ± 1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1244
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	0.865
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
198633 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 700 files were changed.	7024334.cif
179948	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 7/02/43.	7024334.cif
92420	2014-01-12	cif/ Adding structures of 7024331, 7024332, 7024333, 7024334, 7024335, 7024336 via cif-deposit CGI script.	7024334.cif