Crystallography Open Database

Information card for entry 7064385

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Coordinates	7064385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H33 Au2 Cl2 N3 O2 P2
Calculated formula	C43 H33 Au2 Cl2 N3 O2 P2
Title of publication	Structural and computational evidence of rare synergic N(amide)H•••Au(I) and N(amidate)•••Au(I) secondary bonding interactions
Authors of publication	Caltagirone, Claudia; Lippolis, Vito; Olmos, Maria Elena; Coconubo, Laura; Moreno, Sonia; Picci, Giacomo; Monge, Miguel; López-de-Luzuriaga, José Maria
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	11.1966 ± 0.0004 Å
b	11.5477 ± 0.0004 Å
c	16.5303 ± 0.0005 Å
α	94.721 ± 0.001°
β	90.624 ± 0.001°
γ	106.15 ± 0.001°
Cell volume	2044.7 ± 0.12 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.0447
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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