Crystallography Open Database

Information card for entry 7009065

Preview

Structure parameters

Formula	C36 H48 In P Se3
Calculated formula	C36 H48 In P Se3
SMILES	[Se]([In]([Se]c1ccccc1)([Se]c1ccccc1)[P](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	10.4085 ± 0.0007 Å
b	11.6417 ± 0.0009 Å
c	15.5724 ± 0.0011 Å
α	85.84 ± 0.03°
β	82.96 ± 0.03°
γ	70.98 ± 0.03°
Cell volume	1769.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7009065.cif
179794	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.	7009065.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009065.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009065.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009065.cif