Crystallography Open Database

Information card for entry 4001510

Preview

Coordinates	4001510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H22 B10
Calculated formula	C7 H22 B10
SMILES	[BH]1234[H][BH]561[BH]172[BH]283[BH]37([BH]517[H]6)[BH]152[BH]284[B]45([BH]317[H]4)([H]2)[C@@H]1C[C@@H]2C[C@H]1C=C2.[BH]1234[H][BH]561[BH]172[BH]283[BH]37([BH]517[H]6)[BH]152[BH]284[B]45([BH]317[H]4)([H]2)[C@H]1C[C@H]2C[C@@H]1C=C2
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	10.906 ± 0.002 Å
b	13.048 ± 0.002 Å
c	10.811 ± 0.002 Å
α	90°
β	117.287 ± 0.003°
γ	90°
Cell volume	1367.2 ± 0.4 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.2025
Weighted residual factors for all reflections included in the refinement	0.2171
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198632 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	4001510.cif
178377	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.	4001510.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001510.cif
47583	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001509, 4001510, 4001511 via cif-deposit CGI script.	4001510.cif