Crystallography Open Database

Information card for entry 7712439

Preview

Coordinates	7712439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H92 N4 Ni2.23 O24 Pt16.77
Calculated formula	C60 H92 N4 Ni2.228 O24 Pt16.772
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	25.21 ± 0.002 Å
b	13.3089 ± 0.0011 Å
c	26.112 ± 0.002 Å
α	90°
β	105.662 ± 0.003°
γ	90°
Cell volume	8435.7 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.2191
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
283328 (current)	2023-05-05	cif/ Updating files of 7712436, 7712437, 7712438, 7712439, 7712440, 7712441 Original log message: Adding full bibliography for 7712436--7712441.cif.	7712439.cif
281193	2023-03-01	cif/ Adding structures of 7712436, 7712437, 7712438, 7712439, 7712440, 7712441 via cif-deposit CGI script.	7712439.cif