Crystallography Open Database

Information card for entry 7009541

Preview

Coordinates	7009541.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[In(P2C3tBu3)]
Formula	C15 H27 In P2
Calculated formula	C7.5 H13.5 In0.5 P
Title of publication	A study of the molecular and electronic structures of the indium(I) phospholyls [In(η5-P2C3But3)] and [In(η5-P3C2But2)] by X-ray diffraction, photoelectron spectroscopy and density functional theory
Authors of publication	Guy K. B. Clentsmith; F. Geoffrey N. Cloke; Matthew D. Francis; Jennifer C. Green,; Peter B. Hitchcock; John F. Nixon; James L. Suter; David M. Vickers
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2000
Journal issue	11
Pages of publication	1715 - 1721
a	6.144 ± 0.004 Å
b	11.233 ± 0.006 Å
c	13.461 ± 0.007 Å
α	112.48 ± 0.04°
β	93.13 ± 0.05°
γ	90.09 ± 0.05°
Cell volume	856.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179799 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/95.	7009541.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009541.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009541.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009541.cif