Crystallography Open Database

Information card for entry 4500536

Preview

Coordinates	4500536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H15 Cl5 N2 O Re
Calculated formula	C5 H15 Cl5 N2 O Re
Title of publication	Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds
Authors of publication	Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1733
a	6.7652 ± 0.0014 Å
b	7.4345 ± 0.0015 Å
c	14.424 ± 0.003 Å
α	90°
β	100.63 ± 0.03°
γ	90°
Cell volume	713 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179536 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05.	4500536.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500536.cif
34536	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500536 via cif-deposit CGI script.	4500536.cif