Crystallography Open Database

Information card for entry 4317073

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Coordinates	4317073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H94 Cl2 F12 In2 N6 O12 S4
Calculated formula	C102 H94 Cl2 F12 In2 N6 O12 S4
Title of publication	Harnessing Low-Valent Metal Centers through Non-Bonding Orbital Interactions
Authors of publication	Titel Jurca; Ilia Korobkov; Glenn P. A. Yap; Serge I. Gorelsky; Darrin S. Richeson
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10635 - 10641
a	17.539 ± 0.007 Å
b	14.032 ± 0.006 Å
c	21.97 ± 0.009 Å
α	90°
β	108.382 ± 0.006°
γ	90°
Cell volume	5131 ± 4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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