Crystallography Open Database

Information card for entry 7023746

Preview

Coordinates	7023746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H47 Cu O5 P2
Calculated formula	C45 H47 Cu O5 P2
SMILES	C1(C(C)(C)OCCOCCOC)=[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	12.0902 ± 0.001 Å
b	13.2571 ± 0.0009 Å
c	13.3691 ± 0.001 Å
α	86.456 ± 0.006°
β	89.537 ± 0.007°
γ	64.306 ± 0.007°
Cell volume	1926.8 ± 0.3 Å³
Cell temperature	104.8 ± 0.4 K
Ambient diffraction temperature	104.8 ± 0.4 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	0.0606
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7023746.cif
90622	2013-11-18	cif/ Adding structures of 7023746, 7023747, 7023748, 7023749 via cif-deposit CGI script.	7023746.cif