Crystallography Open Database

Information card for entry 7046110

Preview

Coordinates	7046110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H194 N18 P12 Se6
Calculated formula	C100 H194 N18 P12 Se6
Title of publication	Formation and selection of the macrocycle [{(<sup>t</sup>BuN[double bond, length as m-dash])P(μ-N<sup>t</sup>Bu)}<sub>2</sub>(μ-Se)<sub>2</sub>{P(μ-N<sup>t</sup>Bu)}<sub>2</sub>]<sub>3</sub>.
Authors of publication	Plajer, Alex J.; Niu, Hao-Che; Rizzuto, Felix J.; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	19
Pages of publication	6675 - 6678
a	13.853 ± 0.003 Å
b	17.29 ± 0.003 Å
c	28.76 ± 0.004 Å
α	75.917 ± 0.012°
β	84.957 ± 0.013°
γ	74.512 ± 0.012°
Cell volume	6437 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229610 (current)	2019-11-17	cif/ Updating files of 7046110 Original log message: Adding full bibliography for 7046110.cif.	7046110.cif
207473	2018-04-25	cif/ Adding structures of 7046110 via cif-deposit CGI script.	7046110.cif