Crystallography Open Database

Information card for entry 7128008

Preview

Coordinates	7128008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H144.01 Bi6 K4 Mo3 N8 O33
Calculated formula	C80 H140.506 Bi6 K4 Mo3 N8 O32
Title of publication	[Bi<sub>6</sub>Mo<sub>3</sub>(CO)<sub>9</sub>]<sup>4-</sup>: a multiple local σ-aromatic cluster containing a distorted Bi<sub>6</sub> triangular prism.
Authors of publication	Qiao, Lei; Chen, Dandan; Zhu, Jun; Muñoz-Castro, Alvaro; Sun, Zhong-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	30
Pages of publication	3656 - 3659
a	15.0576 ± 0.0002 Å
b	16.1907 ± 0.0003 Å
c	30.129 ± 0.0003 Å
α	76.0792 ± 0.0011°
β	77.6588 ± 0.001°
γ	62.9932 ± 0.0015°
Cell volume	6305.52 ± 0.18 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.2488
Weighted residual factors for all reflections included in the refinement	0.2556
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
264871 (current)	2021-05-05	cif/ Updating files of 7128008, 7128009 Original log message: Adding full bibliography for 7128008--7128009.cif.	7128008.cif
262894	2021-03-09	cif/ Adding structures of 7128008, 7128009 via cif-deposit CGI script.	7128008.cif