Crystallography Open Database

Information card for entry 4109030

Preview

Coordinates	4109030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 O9 P Re2
Calculated formula	C21 H27 O9 P Re2
SMILES	[Re]([Re]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Photoreversible Multiple Additions of Hydrogen to a Highly Unsaturated Platinum-Rhenium Cluster Complex
Authors of publication	Richard D. Adams; Burjor Captain; Chad Beddie; Michael B. Hall
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	986 - 1000
a	11.777 ± 0.0011 Å
b	14.9566 ± 0.0015 Å
c	45.768 ± 0.005 Å
α	90°
β	92.098 ± 0.002°
γ	90°
Cell volume	8056.3 ± 1.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
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	0.0515
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
178836 (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 4/10/90.	4109030.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109030.cif
57781	2012-05-21	cif/ Adding structures of 4109030 via cif-deposit CGI script.	4109030.cif