Crystallography Open Database

Information card for entry 7709111

Preview

Coordinates	7709111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 I2 N4 P2
Calculated formula	C42 H50 I2 N4 P2
SMILES	P(Pc1n(c2c(cc(cc2C)C)C)cc[n+]1c1c(cc(cc1C)C)C)c1n(c2c(cc(cc2C)C)C)cc[n+]1c1c(cc(cc1C)C)C.[I-].[I-]
Title of publication	A PH-functionalized dicationic bis(imidazolio)diphosphine
Authors of publication	Cicac-Hudi, Mario; Feil, Christoph M.; Birchall, Nicholas; Nieger, Martin; Gudat, Dietrich
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.117 ± 0.0011 Å
b	31.818 ± 0.003 Å
c	12.8882 ± 0.0016 Å
α	90°
β	94.567 ± 0.01°
γ	90°
Cell volume	4135.6 ± 0.8 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7709111.html