Crystallography Open Database

Information card for entry 7121041

Preview

Coordinates	7121041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H116 Cd3 Ge9 K3 N6 O18 P3
Calculated formula	C61 H116 Cd3 Ge9 K3 N6 O18 P3
Title of publication	(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.
Authors of publication	Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	12
Pages of publication	1421 - 1424
a	15.237 ± 0.002 Å
b	15.237 ± 0.002 Å
c	68.672 ± 0.014 Å
α	90°
β	90°
γ	120°
Cell volume	13807 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	8
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
228601 (current)	2019-11-17	cif/ Updating files of 7121039, 7121040, 7121041 Original log message: Adding full bibliography for 7121039--7121041.cif.	7121041.cif
204466	2017-12-22	cif/ Adding structures of 7121039, 7121040, 7121041 via cif-deposit CGI script.	7121041.cif