Crystallography Open Database

Information card for entry 4340528

Preview

Coordinates	4340528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H72 Cu2 I2 N5 O2 P4 S2
Calculated formula	C84 H72 Cu2 I2 N5 O2 P4 S2
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	24.7689 ± 0.0013 Å
b	10.8836 ± 0.0007 Å
c	29.4008 ± 0.0017 Å
α	90°
β	95.273 ± 0.004°
γ	90°
Cell volume	7892.2 ± 0.8 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
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	0.0398
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179508 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/05.	4340528.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.	4340528.cif
120833	2014-07-29	cif/ Adding structures of 4340528 via cif-deposit CGI script.	4340528.cif