Crystallography Open Database

Information card for entry 4339284

Preview

Coordinates	4339284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Br N4 O6 Re
Calculated formula	C24 H16 Br N4 O6 Re
SMILES	Br[Re]1(C#[O])(C#[O])(C#[O])[n]2cccc3c(cc4ccc[n]1c4c23)NC(=O)c1c(c(ccc1)O)O.C(#N)C
Title of publication	Synthesis, characterization, solid-state structures, and spectroscopic properties of two catechol-based luminescent chemosensors for biologically relevant oxometalates.
Authors of publication	Batey, Helen D.; Whitwood, Adrian C.; Duhme-Klair, Anne-K
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6516 - 6528
a	7.3389 ± 0.0006 Å
b	12.8693 ± 0.001 Å
c	13.8173 ± 0.0011 Å
α	70.464 ± 0.002°
β	86.758 ± 0.002°
γ	76.554 ± 0.002°
Cell volume	1195.84 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0503
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339284.cif
117251	2014-06-14	cif/ Adding structures of 4339283, 4339284 via cif-deposit CGI script.	4339284.cif