Crystallography Open Database

Information card for entry 7041896

Preview

Structure parameters

Formula	C27 H39 Au N2 O2 P
Calculated formula	C27 H39 Au N2 O2 P
SMILES	[Au]([P](c1ccccc1c1ccccc1)(C(C)(C)C)C(C)(C)C)C1=N(=O)C(C([N]1=O)(C)C)(C)C
Title of publication	An efficient synthetic method for organometallic radicals: structures and properties of gold(i)-(nitronyl nitroxide)-2-ide complexes.
Authors of publication	Suzuki, Shuichi; Kira, Sayaka; Kozaki, Masatoshi; Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya; Okada, Keiji
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	8
Pages of publication	2653 - 2659
a	17.39 ± 0.017 Å
b	9.52 ± 0.009 Å
c	17.974 ± 0.018 Å
α	90°
β	114.28 ± 0.013°
γ	90°
Cell volume	2712 ± 5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7041896.cif
193794	2017-03-05	cif/ Updating files of 7041894, 7041895, 7041896, 7041897, 7041898 Original log message: Adding full bibliography for 7041894--7041898.cif.	7041896.cif
191159	2017-01-31	cif/ Adding structures of 7041894, 7041895, 7041896, 7041897, 7041898 via cif-deposit CGI script.	7041896.cif