Crystallography Open Database

Information card for entry 4071735

Preview

Coordinates	4071735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N O4 P Re
Calculated formula	C27 H21 N O4 P Re
SMILES	[Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(n2c(C(=[O]1)C)ccc2)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of Rhenium Carbonyl Complexes Bearing Substituted Pyrrolyl Ligands
Authors of publication	Mirebeau, Jean-Hugues; Le Bideau, Franck; Marrot, Jérôme; Jaouen, Gérard
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	2911
a	18.0665 ± 0.0006 Å
b	8.2603 ± 0.0002 Å
c	18.3269 ± 0.0006 Å
α	90°
β	118.733 ± 0.002°
γ	90°
Cell volume	2398.25 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.343
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
178606 (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 4/07/17.	4071735.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071735.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071735.cif
44005	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071734, 4071735 via cif-deposit CGI script.	4071735.cif