Crystallography Open Database

Information card for entry 7120893

7120892 << 7120893 >> 7120894

Preview

Coordinates	7120893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H54 In N Si2
Calculated formula	C29 H54 In N Si2
SMILES	C1(=CCC=C([In]1(C)[n]1ccccc1)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Anionic Indabenzene: Synthesis and Characterization
Authors of publication	Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
Journal of publication	Chemical Communications
Year of publication	2017
a	8.3947 ± 0.0007 Å
b	8.9976 ± 0.0008 Å
c	23.8 ± 0.003 Å
α	84.03 ± 0.006°
β	84.082 ± 0.006°
γ	62.464 ± 0.004°
Cell volume	1582.3 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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