Crystallography Open Database

Information card for entry 7032783

Preview

Coordinates	7032783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 F6 N5 O3 P Re
Calculated formula	C27 H21 F6 N5 O3 P Re
SMILES	[Re]12(C#[O])([n]3c(cc(cc3c3[n]2cccc3)c2ccncc2)c2[n]1cccc2)([n]1ccccc1)C#[O].[P](F)(F)(F)(F)(F)[F-].O
Title of publication	Synthesis of discrete Re(I) di- and tricarbonyl assemblies using a [4 ×1] directional bonding strategy.
Authors of publication	Laramée-Milette, Baptiste; Lachance-Brais, Christophe; Hanan, Garry S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	41 - 45
a	13.982 ± 0.0002 Å
b	8.1795 ± 0.0001 Å
c	24.0881 ± 0.0004 Å
α	90°
β	104.419 ± 0.001°
γ	90°
Cell volume	2668.08 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0263
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180033 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27.	7032783.cif
131066	2015-02-04	cif/ Updating files of 7032783, 7032784 Original log message: Adding full bibliography for 7032783--7032784.cif.	7032783.cif
125197	2014-10-10	cif/ Adding structures of 7032783, 7032784 via cif-deposit CGI script.	7032783.cif