Crystallography Open Database

Information card for entry 7031095

Preview

Coordinates	7031095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 Cl N3 O4 Re
Calculated formula	C36 H27 Cl N3 O4 Re
SMILES	[Re]1(Cl)([n]2c(cccc2)c2[n]1c1c(n2Cc2c3c4c(cc2)ccc2c4c(cc3)ccc2)cccc1)(C#[O])(C#[O])C#[O].O1CCCC1
Title of publication	Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties.
Authors of publication	Shavaleev, Nail M.; Bell, Zöe R; Easun, Timothy L.; Rutkaite, Ramune; Swanson, Linda; Ward, Michael D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	21
Pages of publication	3678 - 3688
a	12.055 ± 0.002 Å
b	12.376 ± 0.003 Å
c	13.047 ± 0.002 Å
α	108.288 ± 0.014°
β	100.199 ± 0.015°
γ	99.195 ± 0.013°
Cell volume	1770 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
180016 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/10.	7031095.cif
114641	2014-05-29	cif/ Adding structures of 7031093, 7031094, 7031095, 7031096, 7031097, 7031098 via cif-deposit CGI script.	7031095.cif