Crystallography Open Database

Information card for entry 7023747

Preview

Coordinates	7023747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H47 Cu O6 P2
Calculated formula	C45 H47 Cu O6 P2
SMILES	C1(COCCOCCOCCOC)=[O][Cu](O1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Copper(ii) and triphenylphosphine copper(i) ethylene glycol carboxylates: synthesis, characterisation and copper nanoparticle generation.
Authors of publication	Adner, David; Möckel, Stefan; Korb, Marcus; Buschbeck, Roy; Rüffer, Tobias; Schulze, Steffen; Mertens, Lutz; Hietschold, Michael; Mehring, Michael; Lang, Heinrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	44
Pages of publication	15599 - 15609
a	15.9464 ± 0.0008 Å
b	10.6978 ± 0.0003 Å
c	23.2985 ± 0.0011 Å
α	90°
β	91.701 ± 0.004°
γ	90°
Cell volume	3972.8 ± 0.3 Å³
Cell temperature	104 ± 1 K
Ambient diffraction temperature	104 ± 1 K
Number of distinct elements	5
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	0.049
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0863
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
179942 (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 7/02/37.	7023747.cif
90622	2013-11-18	cif/ Adding structures of 7023746, 7023747, 7023748, 7023749 via cif-deposit CGI script.	7023747.cif