Crystallography Open Database

Information card for entry 7019714

7019713 << 7019714 >> 7019715

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Structure parameters

Formula	C68 H56 N2
Calculated formula	C68 H56 N2
SMILES	C(=N\c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)/C=N/c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
Title of publication	Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.
Authors of publication	Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9304 - 9315
a	9.164 ± 0.0018 Å
b	10.472 ± 0.002 Å
c	13.747 ± 0.003 Å
α	99.63 ± 0.03°
β	103.84 ± 0.03°
γ	99.14 ± 0.03°
Cell volume	1235.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1615
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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