Crystallography Open Database

Information card for entry 7230839

Preview

Coordinates	7230839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 Br2 F4 N4 P2 Se2
Calculated formula	C22 H37.5 Br2 F4 N4 P2 Se2
Title of publication	cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks
Authors of publication	Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5998
a	9.151 ± 0.0002 Å
b	16.1119 ± 0.0003 Å
c	11.5547 ± 0.0002 Å
α	90°
β	112.908 ± 0.0007°
γ	90°
Cell volume	1569.26 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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