Crystallography Open Database

Information card for entry 7712441

Preview

Coordinates	7712441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H78 N5 Ni23.3 O47 Pt14.7
Calculated formula	C73 H77.9994 N5 Ni23.304 O47 Pt14.696
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	16.2307 ± 0.0019 Å
b	16.2307 ± 0.0019 Å
c	36.437 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	8312.8 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7712441.cif
281193	2023-03-01	cif/ Adding structures of 7712436, 7712437, 7712438, 7712439, 7712440, 7712441 via cif-deposit CGI script.	7712441.cif