Crystallography Open Database

Information card for entry 4109387

Preview

Coordinates	4109387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H54 O7 P2 Pt2 Re2
Calculated formula	C31 H54 O7 P2 Pt2 Re2
SMILES	[Pt]12([Pt]3([Re]1([Re]23(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
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	15.2359 ± 0.0014 Å
b	15.2464 ± 0.0014 Å
c	50.847 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	11811.4 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	4109387.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109387.cif
58153	2012-05-25	cif/ Adding structures of 4109387 via cif-deposit CGI script.	4109387.cif