Crystallography Open Database

Information card for entry 7124953

Preview

Coordinates	7124953.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Tc(NO)Br3(OPPh3)2]
Chemical name	Tribromidobistriphenylphosphine oxid nitrosyl technetium(II)
Formula	C36.5 H31 Br3 Cl N O3 P2 Tc
Calculated formula	C36.5 H31 Br3 Cl N O3 P2 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	12.551 ± 0.001 Å
b	14.394 ± 0.001 Å
c	44.488 ± 0.004 Å
α	90°
β	97.55 ± 0.01°
γ	90°
Cell volume	7967.5 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.177
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	0.867
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
234377 (current)	2019-11-23	cif/ Adding structures of 7124950, 7124951, 7124952, 7124953 via cif-deposit CGI script.	7124953.cif