Crystallography Open Database

Information card for entry 2018355

2018354 << 2018355 >> 2018356

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Structure parameters

Chemical name	[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)
Formula	C27 H36 Au Cl N2
Calculated formula	C27 H36 Au Cl N2
SMILES	C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)=[Au]Cl
Title of publication	[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloridogold(I)
Authors of publication	Linden, Anthony; de Haro, Teresa; Nevado, Cristina
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	1
Pages of publication	m1 - m3
a	10.6655 ± 0.0002 Å
b	12.6641 ± 0.0002 Å
c	19.5145 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2635.8 ± 0.08 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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