Crystallography Open Database

Information card for entry 4001511

Preview

Coordinates	4001511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H22 B10
Calculated formula	C6 H22 B10
SMILES	C1=CCC(CC1)[B]1234[H][BH]564[BH]472[BH]23([H]1)[BH]137[BH]754[BH]451[BH]123[BH]25([BH]746[H]2)[H]1
Title of publication	Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors
Authors of publication	Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	5
Pages of publication	1113
a	10.969 ± 0.004 Å
b	21.912 ± 0.008 Å
c	10.902 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2620.3 ± 1.7 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.129
Weighted residual factors for significantly intense reflections	0.2905
Weighted residual factors for all reflections included in the refinement	0.3198
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001511.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001511.cif
47583	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001509, 4001510, 4001511 via cif-deposit CGI script.	4001511.cif