Crystallography Open Database

Information card for entry 2238811

Preview

Coordinates	2238811.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>—<i>Co</i>)
Formula	C36 H56 Co2 P6
Calculated formula	C36 H56 Co2 P6
SMILES	c1(ccccc1)[P]1([Co]2([P](C)(C)C)([P](C)(C)C)[P](c3ccccc3)(c3ccccc3)[Co]12([P](C)(C)C)[P](C)(C)C)c1ccccc1
Title of publication	Bis(μ-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>—<i>Co</i>)
Authors of publication	Beck, Robert; Klein, Hans-Friedrich
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m604
a	10.318 ± 0.002 Å
b	19.262 ± 0.004 Å
c	10.721 ± 0.002 Å
α	90°
β	113.32 ± 0.03°
γ	90°
Cell volume	1956.7 ± 0.8 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0685
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	0.813
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238811.cif
91230	2013-12-09	cif/ Adding structures of 2238811 via cif-deposit CGI script.	2238811.cif