Crystallography Open Database

Information card for entry 7028737

Preview

Coordinates	7028737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N3 P
Calculated formula	C22 H18 N3 P
SMILES	c1ccccc1c1ccnc(n1)NP(c1ccccc1)c1ccccc1
Title of publication	Gold(i) complexes with heteroaryl phosphine ligands.
Authors of publication	Sarcher, Christian; Farsadpour, Saeid; Taghizadeh Ghoochany, Leila; Sun, Yu; Thiel, Werner R.; Roesky, Peter W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	6
Pages of publication	2397 - 2405
a	11.7579 ± 0.0002 Å
b	7.7009 ± 0.0001 Å
c	20.479 ± 0.0004 Å
α	90°
β	100.19 ± 0.002°
γ	90°
Cell volume	1825.05 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0384
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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