Crystallography Open Database

Information card for entry 4075565

Preview

Coordinates	4075565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H59 N O9 Re2 Sn2
Calculated formula	C49 H59 N O9 Re2 Sn2
SMILES	[Re]([Sn]([O]([Sn]([Re](C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes
Authors of publication	Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3848
a	12.1825 ± 0.0004 Å
b	12.2335 ± 0.0004 Å
c	18.1904 ± 0.0007 Å
α	95.15 ± 0.001°
β	94.223 ± 0.001°
γ	92.027 ± 0.001°
Cell volume	2690.32 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0402
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178644 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075565.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075565.cif
49315	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075565, 4075566, 4075567 via cif-deposit CGI script.	4075565.cif