Crystallography Open Database

Information card for entry 4109386

Preview

Coordinates	4109386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 O9 P Pt Re2
Calculated formula	C21 H29 O9 P Pt Re2
SMILES	[Pt]1([H][Re]([H][Re]1(C#[O])(C#[O])(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)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	27.395 ± 0.003 Å
b	14.3333 ± 0.0016 Å
c	19.087 ± 0.002 Å
α	90°
β	130.348 ± 0.002°
γ	90°
Cell volume	5711.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	4109386.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109386.cif
58152	2012-05-25	cif/ Adding structures of 4109386 via cif-deposit CGI script.	4109386.cif