Crystallography Open Database

Information card for entry 4066683

Preview

Coordinates	4066683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H45 O8 P Pt Re2 Sb2
Calculated formula	C46 H45 O8 P Pt Re2 Sb2
SMILES	[Pt]1([Sb]([Re]([H][Re]([Sb]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)([PH](C(C)(C)C)C(C)(C)C)c1ccccc1
Title of publication	Reactions of Bis(tri-tert-butylphosphine)platinum with Metal Hydride Complexes. The Reactions of Pt(P-t-Bu3)2with HRe(CO)4SbPh3
Authors of publication	Adams, Richard D.; Pearl, William C.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3887
a	12.0949 ± 0.0004 Å
b	33.6607 ± 0.0012 Å
c	13.1677 ± 0.0004 Å
α	90°
β	110.179 ± 0.001°
γ	90°
Cell volume	5031.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0524
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4066683.cif
178558	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/66.	4066683.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066683.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066683.cif
33959	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066682, 4066683, 4066684, 4066685, 4066686, 4066687 via cif-deposit CGI script.	4066683.cif