Crystallography Open Database

Information card for entry 4340529

Preview

Coordinates	4340529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 Br Cu N2 O P2 S
Calculated formula	C41 H36 Br Cu N2 O 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	10.73 ± 0.002 Å
b	13.968 ± 0.002 Å
c	26.324 ± 0.005 Å
α	87.73 ± 0.02°
β	82.98 ± 0.03°
γ	75.88 ± 0.02°
Cell volume	3797.3 ± 1.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
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.	4340529.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.	4340529.cif
120834	2014-07-29	cif/ Adding structures of 4340529 via cif-deposit CGI script.	4340529.cif