Crystallography Open Database

Information card for entry 4340526

Preview

Coordinates	4340526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H38 Cl Cu N2 O0.5 P2 S
Calculated formula	C41.5 H38 Cl Cu N2 O0.5 P2 S
Title of publication	Mono- and binuclear copper(i) complexes of thionucleotide analogues and their catalytic activity on the synthesis of dihydrofurans.
Authors of publication	Charalampou, D. C.; Kourkoumelis, N.; Karanestora, S.; Hadjiarapoglou, L. P.; Dokorou, V.; Skoulika, S.; Owczarzak, A.; Kubicki, M.; Hadjikakou, S. K.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8322 - 8333
a	14.753 ± 0.003 Å
b	10.024 ± 0.002 Å
c	24.711 ± 0.003 Å
α	90°
β	91.78 ± 0.02°
γ	90°
Cell volume	3652.6 ± 1.1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	8
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	0.0644
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340526.cif
122895	2014-09-06	cif/ Updating files of 4340525, 4340526, 4340527, 4340528, 4340529, 4340530 Original log message: Adding full bibliography for 4340525--4340530.cif.	4340526.cif
120831	2014-07-29	cif/ Adding structures of 4340526 via cif-deposit CGI script.	4340526.cif