Crystallography Open Database

Information card for entry 7124951

Preview

Coordinates	7124951.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Tc(NO)(CO)(PPh3)]BF4
Chemical name	hapto5-cyclopentadienylcarbonyl triphenylphosphinenitrosyl technetium(I)
Formula	C24 H20 B F4 N O2 P Tc
Calculated formula	C24 H20 B F4 N O2 P Tc
Title of publication	{Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.
Authors of publication	Ackermann, J.; Hagenbach, A.; Abram, U.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	67
Pages of publication	10285 - 10288
a	9.27 ± 0.001 Å
b	17.374 ± 0.001 Å
c	14.27 ± 0.001 Å
α	90°
β	100.29 ± 0.01°
γ	90°
Cell volume	2261.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0362
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
234377 (current)	2019-11-23	cif/ Adding structures of 7124950, 7124951, 7124952, 7124953 via cif-deposit CGI script.	7124951.cif