Crystallography Open Database

Information card for entry 7711916

7711915 << 7711916 >> 7711917

Preview

Coordinates	7711916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N6 O3 Re
Calculated formula	C15 H11 N6 O3 Re
SMILES	C(#[O])[Re]1(C#[O])(C#[O])([NH3])[n]2ccccc2c2n1nc(c1ccccn1)n2
Title of publication	A neutral mononuclear rhenium(I) complex with a rare <i>in situ</i>-generated triazolyl ligand for the luminescence "turn-on" detection of histidine.
Authors of publication	Thanasekaran, Pounraj; Huang, Jui-Hsiang; Jhou, Cing-Rou; Tsao, Hsiang-Chun; Mendiratta, Shruti; Su, Cing-Huei; Liu, Ching-Ping; Liu, Yen-Hsiang; Huang, Jui-Hsien; Lu, Kuang-Lieh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	703 - 709
a	6.0777 ± 0.0001 Å
b	22.5621 ± 0.0005 Å
c	22.9459 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3146.47 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
283336 (current)	2023-05-05	cif/ Updating files of 7711916 Original log message: Adding full bibliography for 7711916.cif.	7711916.cif
279878	2022-12-14	cif/ Adding structures of 7711916 via cif-deposit CGI script.	7711916.cif