Crystallography Open Database

Information card for entry 7029229

Preview

Coordinates	7029229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H52 P2 Se2
Calculated formula	C16 H28 P2 Se2
SMILES	C(C)(C)(C)[P@H](=[Se])Cc1cccc(c1)C[P@@H](=[Se])C(C)(C)C.C(C)(C)(C)[P@@H](=[Se])Cc1cccc(c1)C[P@H](=[Se])C(C)(C)C
Title of publication	Secondary diphosphine and diphosphido ligands: synthesis, characterisation and group 1 coordination compounds.
Authors of publication	Ritch, Jamie S.; Julienne, Delphine; Rybchinski, Shayne R.; Brockman, Kathryne S.; Johnson, Kevin R. D.; Hayes, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	267 - 276
a	9.2514 ± 0.0007 Å
b	21.7558 ± 0.0018 Å
c	12.7311 ± 0.0011 Å
α	90°
β	90.93 ± 0.006°
γ	90°
Cell volume	2562.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0598
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179998 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92.	7029229.cif
105549	2014-03-12	cif/ Adding structures of 7029228, 7029229, 7029230, 7029231, 7029232 via cif-deposit CGI script.	7029229.cif