Crystallography Open Database

Information card for entry 2016628

2016627 << 2016628 >> 2016629

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Structure parameters

Chemical name	chloridotris(triphenylphosphine-κP)copper(I)
Formula	C54 H45 Cl Cu P3
Calculated formula	C54 H45 Cl Cu P3
SMILES	[Cu](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A centrosymmetric polymorph of chloridotris(triphenylphosphine-κ<i>P</i>)copper(I) at 150K
Authors of publication	Machado, Aline; Manzoni de Oliveira, Gelson N.; Fenner, Herton; Burrow, Robert A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2008
Journal volume	64
Journal issue	6
Pages of publication	m233 - m236
a	43.253 ± 0.003 Å
b	9.9863 ± 0.0008 Å
c	44.354 ± 0.003 Å
α	90°
β	113.496 ± 0.004°
γ	90°
Cell volume	17570 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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