Crystallography Open Database

Information card for entry 4316810

Preview

Coordinates	4316810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 N4 O3 Re
Calculated formula	C16 H11 N4 O3 Re
SMILES	[Re]1(C#[O])([n]2c(c3[n]1cccc3)cccc2)(n1ccnc1)(C#[O])C#[O]
Title of publication	Organometallic Complexes with Terminal Imidazolato Ligands and Their Use as Metalloligands
Authors of publication	Eva Gómez; Miguel Ángel Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9527 - 9534
a	7.78 Å
b	7.94 Å
c	12.646 Å
α	91.41°
β	100.55°
γ	91.31°
Cell volume	767.448 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316810.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316810.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316810.cif
10318	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316810 via cif-deposit CGI script.	4316810.cif