Crystallography Open Database

Information card for entry 7127410

Preview

Coordinates	7127410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H69 N2 O4 P4 Ta
Calculated formula	C42 H59.0003 N2 O3 P4 Ta
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	19.8677 ± 0.0004 Å
b	17.9409 ± 0.0003 Å
c	27.8048 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	9910.9 ± 0.3 Å³
Cell temperature	122.99 ± 0.19 K
Ambient diffraction temperature	122.99 ± 0.19 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1496
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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.	7127410.cif
258284	2020-10-10	cif/ Adding structures of 7127408, 7127409, 7127410 via cif-deposit CGI script.	7127410.cif