Crystallography Open Database

Information card for entry 7213355

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Coordinates	7213355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H68 Li3 N3 O20 P6
Calculated formula	C38 H68 Li3 N3 O20 P6
Title of publication	Carbanionic displacement reactions at phosphorus. Part III. Cyanomethylphosphonate vs. cyanomethylenediphosphonate. Synthesis and solid-state structures
Authors of publication	Iorga, Bogdan; Ricard, Louis; Savignac, Philippe
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2000
Journal issue	19
Pages of publication	3311
a	10.571 ± 0.0002 Å
b	19.569 ± 0.0008 Å
c	13.084 ± 0.0005 Å
α	90°
β	101.141 ± 0.002°
γ	90°
Cell volume	2655.6 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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