Crystallography Open Database

Information card for entry 4104152

Preview

Coordinates	4104152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H67 Cl6 In2 N3
Calculated formula	C57.5 H67 Cl6 In2 N3
Title of publication	Capturing In+ Monomers in a Neutral Weakly Coordinating Environment
Authors of publication	Titel Jurca; Justin Lummiss; Tara J. Burchell; Serge I. Gorelsky; Darrin S. Richeson
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4608 - 4609
a	18.2104 ± 0.0013 Å
b	16.5153 ± 0.0012 Å
c	20.0394 ± 0.0015 Å
α	90°
β	100.628 ± 0.001°
γ	90°
Cell volume	5923.5 ± 0.7 Å³
Cell temperature	202 ± 2 K
Ambient diffraction temperature	202 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1669
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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