Crystallography Open Database

Information card for entry 7009063

Preview

Coordinates	7009063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 In3 P3
Calculated formula	C36 H72 In3 P3
SMILES	[P]1([InH2][P]([InH2][P]([InH2]1)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Phosphine and phosphido indium hydride complexes and their use in inorganic synthesis
Authors of publication	Cole, Marcus L.; Hibbs, David E.; Jones, Cameron; Smithies, Neil A.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	4
Pages of publication	545
a	10.2825 ± 0.0009 Å
b	30.403 ± 0.002 Å
c	13.5672 ± 0.001 Å
α	90°
β	94.14 ± 0.02°
γ	90°
Cell volume	4230.3 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179794 (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 7/00/90.	7009063.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009063.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009063.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009063.cif