Crystallography Open Database

Information card for entry 7127408

Preview

Coordinates	7127408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 K3 Mo6 O16.5 P3
Calculated formula	C60 H72 K3 Mo6 O16.5 P3
Title of publication	The reaction behavior of [Cp<sub>2</sub>Mo<sub>2</sub>(CO)<sub>4</sub>(μ,η<sup>2:2</sup>-P<sub>2</sub>)] and [Cp''Ta(CO)<sub>2</sub>(η<sup>4</sup>-P<sub>4</sub>)] towards hydroxide and tert-butyl nucleophiles.
Authors of publication	Riedlberger, Felix; Seidl, Michael; Scheer, Manfred
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	89
Pages of publication	13836 - 13839
a	43.5147 ± 0.0008 Å
b	7.94643 ± 0.00015 Å
c	20.3986 ± 0.0003 Å
α	90°
β	100.944 ± 0.0015°
γ	90°
Cell volume	6925.3 ± 0.2 Å³
Cell temperature	122.99 ± 0.13 K
Ambient diffraction temperature	122.99 ± 0.13 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
260650 (current)	2021-01-07	cif/ Updating files of 7127408, 7127409, 7127410 Original log message: Adding full bibliography for 7127408--7127410.cif.	7127408.cif
258284	2020-10-10	cif/ Adding structures of 7127408, 7127409, 7127410 via cif-deposit CGI script.	7127408.cif