Crystallography Open Database

Information card for entry 7041898

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Coordinates	7041898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Au Fe N2 O2 P
Calculated formula	C29 H31 Au Fe N2 O2 P
SMILES	[Au]([P]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1ccccc1)c1ccccc1)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	11.268 ± 0.006 Å
b	19.898 ± 0.009 Å
c	13.147 ± 0.006 Å
α	90°
β	114.666 ± 0.007°
γ	90°
Cell volume	2679 ± 2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
193794 (current)	2017-03-05	cif/ Updating files of 7041894, 7041895, 7041896, 7041897, 7041898 Original log message: Adding full bibliography for 7041894--7041898.cif.	7041898.cif
191159	2017-01-31	cif/ Adding structures of 7041894, 7041895, 7041896, 7041897, 7041898 via cif-deposit CGI script.	7041898.cif