Crystallography Open Database

Information card for entry 7131395

Preview

Coordinates	7131395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H140 Bi10 Ga K3 N6 Nb2 O18
Calculated formula	C75.5 H136 Bi10 Ga K3 N6 Nb2 O18
Title of publication	[Ga@Bi<sub>10</sub>(NbMes)<sub>2</sub>]<sup>3-</sup>: a linear Nb-Ga<sup>I</sup>-Nb filament coordinated by a bismuth cage.
Authors of publication	Qiao, Lei; Yang, Tao; Frenking, Gernot; Sun, Zhong-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	27
Pages of publication	4024 - 4027
a	13.0159 ± 0.0003 Å
b	15.5134 ± 0.0004 Å
c	27.2898 ± 0.0008 Å
α	89.942 ± 0.002°
β	86.298 ± 0.002°
γ	76.288 ± 0.002°
Cell volume	5341.6 ± 0.2 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282262 (current)	2023-04-04	cif/ Updating files of 7131395 Original log message: Adding full bibliography for 7131395.cif.	7131395.cif
281751	2023-03-09	cif/ Adding structures of 7131395 via cif-deposit CGI script.	7131395.cif