Crystallography Open Database

Information card for entry 4320054

4320053 << 4320054 >> 4320055

Preview

Coordinates	4320054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H22 B P
Calculated formula	C8 H22 B P
SMILES	[PH](C(C)(C)C)(C(C)(C)C)[BH3]
Title of publication	Rhodium-Catalyzed Dehydrocoupling of the Sterically Encumbered Phosphine-Borane Adduct tBu2PH.BH3: Synthesis of the Linear Dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-tBu2P-BH2Cl
Authors of publication	Hendrik Dorn; Emira Vejzovic; Alan J. Lough; Ian Manners
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4327 - 4331
a	15.9731 ± 0.0003 Å
b	8.7103 ± 0.0004 Å
c	7.8725 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1095.3 ± 0.11 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4320054.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320054.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320054.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4320054.cif
16899	2011-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4320054 via cif-deposit CGI script.	4320054.cif