Crystallography Open Database

Information card for entry 4329705

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Structure parameters

Formula	C42 H35 Au Br2 N3 O2 P
Calculated formula	C42 H35 Au Br2 N3 O2 P
SMILES	[Au]1([P](c2ccccc2)(C)C)[n]2c(c3ccc(OC)cc3)c(Br)c(c2=Nc2n1c(c1ccc(OC)cc1)c(Br)c2c1ccccc1)c1ccccc1
Title of publication	Gold(I) Complexes of Brominated Azadipyrromethene Ligands
Authors of publication	Lei Gao; Nihal Deligonul; Thomas G. Gray
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7682 - 7688
a	19.8704 ± 0.0013 Å
b	16.1637 ± 0.0011 Å
c	23.2378 ± 0.0016 Å
α	90°
β	97.7 ± 0.001°
γ	90°
Cell volume	7396.2 ± 0.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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