Crystallography Open Database

Information card for entry 4309623

Preview

Coordinates	4309623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 N8 O6 Re2
Calculated formula	C44 H48 N8 O6 Re2
Title of publication	One-Dimensional Supramolecular Assemblies Based on a Re2(III,III) Synthon and Their Solid-State Phosphorescence
Authors of publication	Michael Q. Dequeant; Robert McGuire; David R. McMillin; Tong Ren
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6521 - 6523
a	21.1694 ± 0.0016 Å
b	10.514 ± 0.0008 Å
c	21.321 ± 0.003 Å
α	90°
β	104.496 ± 0.001°
γ	90°
Cell volume	4594.4 ± 0.8 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179134 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/96.	4309623.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309623.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309623.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309623.cif