Crystallography Open Database

Information card for entry 4109389

Preview

Coordinates	4109389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H58 O8 P2 Pt2 Re2
Calculated formula	C32 H58 O8 P2 Pt2 Re2
SMILES	[P](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pt]1234[Pt]56([H][Re]46([H]2)(C#[O])(C#[O])(C#[O])C#[O])([H][Re]35([H]1)(C#[O])(C#[O])(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity
Authors of publication	Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5981 - 5991
a	9.0728 ± 0.0004 Å
b	10.2568 ± 0.0005 Å
c	11.5861 ± 0.0006 Å
α	95.204 ± 0.001°
β	97.889 ± 0.001°
γ	101.259 ± 0.001°
Cell volume	1039.73 ± 0.09 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0507
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109389.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109389.cif
58155	2012-05-25	cif/ Adding structures of 4109389 via cif-deposit CGI script.	4109389.cif