Crystallography Open Database

Information card for entry 7020851

7020850 << 7020851 >> 7020852

Preview

Coordinates	7020851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Cl N4 O4 Re
Calculated formula	C32 H26 Cl N4 O4 Re
SMILES	[Re]1(Cl)(C#[O])(C#[O])(C#[O])[n]2ccccc2c2cc(cc(c3ccccn3)[n]12)N(c1ccccc1)c1ccccc1.C(C)O
Title of publication	Synthesis and photoluminescence properties of rhenium(i) complexes based on 2,2':6',2''-terpyridine derivatives with hole-transporting units.
Authors of publication	Wang, Dong; Xu, Qiu-Lei; Zhang, Song; Li, Hong-Yan; Wang, Cheng-Cheng; Li, Tian-Yi; Jing, Yi-Ming; Huang, Wei; Zheng, You-Xuan; Accorsi, Gianluca
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	8
Pages of publication	2716 - 2723
a	7.0443 ± 0.0014 Å
b	26.056 ± 0.005 Å
c	17.159 ± 0.003 Å
α	90°
β	107.024 ± 0.007°
γ	90°
Cell volume	3011.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0616
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020851.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020851.cif
73687	2013-02-21	cif/ Adding structures of 7020851 via cif-deposit CGI script.	7020851.cif