Crystallography Open Database

Information card for entry 7102143

Preview

Coordinates	7102143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H108 I Li N9 O4 P3
Calculated formula	C54 H108 I Li N9 O4 P3
Title of publication	Zwitterionic phosphazenium phosphazenate ligands
Authors of publication	Benson, Mark A.; Ledger, Joanne; Steiner, Alexander
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	37
Pages of publication	3823 - 3825
a	11.9616 ± 0.0006 Å
b	22.3804 ± 0.001 Å
c	24.1793 ± 0.0012 Å
α	90°
β	102.583 ± 0.001°
γ	90°
Cell volume	6317.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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