Crystallography Open Database

Information card for entry 7052961

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Coordinates	7052961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N P S
Calculated formula	C20 H20 N P S
SMILES	S=P(Nc1c(cccc1C)C)(c1ccccc1)c1ccccc1
Title of publication	N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere
Authors of publication	Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	11
Pages of publication	2280
a	11.8572 ± 0.0002 Å
b	11.8572 ± 0.0002 Å
c	12.3816 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1740.77 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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