Crystallography Open Database

Information card for entry 4314822

Preview

Coordinates	4314822.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(phd)ReO3Cl]
Formula	C12 H6 Cl N2 O5 Re
Calculated formula	C11.28 H5.64 Cl0.94 N1.88 O4.7 Re
Title of publication	Triazacyclohexane (tach) Complexes of High-Valent Rhenium: Syntheses of [(R3tach)ReO3]+ (R = -CH3, -CH2C6H5) and Its Substitution Reactions
Authors of publication	Henrik Braband; Sebastian Imstepf; Michael Felber; Bernhard Spingler; Roger Alberto
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1283 - 1285
a	8.6523 ± 0.00016 Å
b	10.83956 ± 0.00017 Å
c	14.0402 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1316.79 ± 0.04 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179228 (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 4/31/48.	4314822.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314822.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314822.cif
7965	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314822 via cif-deposit CGI script.	4314822.cif