Crystallography Open Database

Information card for entry 4314525

Preview

Coordinates	4314525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H96 Cl4 N6 Re6 S8
Calculated formula	C56 H24 Cl4 N6 Re6 S8
Title of publication	Excited-State Properties of Octahedral Hexarhenium(III) Complexes with Redox-active N-heteroaromatic Ligands
Authors of publication	Takashi Yoshimura; Chiaki Suo; Kiyoshi Tsuge; Shoji Ishizaka; Koichi Nozaki; Yoichi Sasaki; Noboru Kitamura; Atsushi Shinohara
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	531 - 540
a	13.52 ± 0.006 Å
b	10.835 ± 0.004 Å
c	23.838 ± 0.008 Å
α	90°
β	92.78 ± 0.01°
γ	90°
Cell volume	3488 ± 2 Å³
Cell temperature	170.2 K
Ambient diffraction temperature	170.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4314525.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314525.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314525.cif
7668	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314525 via cif-deposit CGI script.	4314525.cif