Crystallography Open Database

Information card for entry 7015133

Preview

Coordinates	7015133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H54 N12 O24 Re6 S6
Calculated formula	C84 H54 N12 O24 Re6 S6
Title of publication	Furan-decorated neutral Re(i)-based 2D rectangle and 3D trigonal prism.
Authors of publication	Gupta, Deepak; Rajakannu, Palanisamy; Shankar, Bhaskaran; Shanmugam, Ramasamy; Hussain, Firasat; Sarkar, Biprajit; Sathiyendiran, Malaichamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	20
Pages of publication	5433 - 5435
a	23.2217 ± 0.0003 Å
b	23.2217 ± 0.0003 Å
c	29.1908 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	13632.2 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	0.814
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
179855 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/51.	7015133.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015133.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015133.cif
21070	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015132, 7015133 via cif-deposit CGI script.	7015133.cif