Crystallography Open Database

Information card for entry 7116190

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Structure parameters

Formula	C56 H62 N2 P3
Calculated formula	C56 H62 N2 P3
Title of publication	P-P σ-bond activation by gold(I) coordination.
Authors of publication	Hinz, Alexander; Schulz, Axel; Villinger, Alexander
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	51
Journal issue	7
Pages of publication	1363 - 1366
a	11.3859 ± 0.0003 Å
b	32.688 ± 0.001 Å
c	13.0222 ± 0.0004 Å
α	90°
β	96.019 ± 0.002°
γ	90°
Cell volume	4819.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0986
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7116190.cif
180275	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116190.cif
129292	2015-01-01	cif/ Adding structures of 7116190, 7116191, 7116192, 7116193 via cif-deposit CGI script.	7116190.cif