Crystallography Open Database

Information card for entry 4327093

Preview

Coordinates	4327093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H104 B2 I4 In2 N12 S6
Calculated formula	C78 H104 B2 I4 In2 N12 S6
Title of publication	Synthesis and Structural Characterization of Tris(2-mercapto-1-adamantylimidazolyl)hydroborato Complexes: A Sterically Demanding Tripodal [S3] Donor Ligand
Authors of publication	Kevin Yurkerwich; Michael Yurkerwich; Gerard Parkin
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	12284 - 12295
a	12.8374 ± 0.0006 Å
b	13.1735 ± 0.0006 Å
c	28.5606 ± 0.0016 Å
α	98.655 ± 0.001°
β	91.301 ± 0.001°
γ	117.76 ± 0.001°
Cell volume	4201.6 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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