Crystallography Open Database

Information card for entry 7712933

Preview

Coordinates	7712933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 N14 O7 Re2 S2
Calculated formula	C51 H42 N14 O7 Re2 S2
Title of publication	Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.
Authors of publication	Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	15
Pages of publication	4835 - 4848
a	6.7907 ± 0.0001 Å
b	9.3555 ± 0.0002 Å
c	19.8603 ± 0.0003 Å
α	99.11 ± 0.001°
β	91.241 ± 0.001°
γ	91.84 ± 0.001°
Cell volume	1244.72 ± 0.04 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0469
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282980 (current)	2023-05-04	cif/ Adding structures of 7712924, 7712925, 7712926, 7712927, 7712928, 7712929, 7712930, 7712931, 7712932, 7712933, 7712934, 7712935 via cif-deposit CGI script.	7712933.cif