Crystallography Open Database

Information card for entry 4334098

Preview

Coordinates	4334098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H Cu4 K2 N4 O20
Calculated formula	C30.6667 H31.3333 Cu2.66667 K2 N2.66667 O34.3333
Title of publication	Synthesis, Structure, Spectroscopic Characterization, and Protein Binding Affinity of New Water-Soluble Hetero- and Homometallic Tetranuclear [CuII2ZnII2] and [CuII4] Clusters
Authors of publication	Ayan Patra; Tamal K. Sen; Atanu Ghorai; Ghezai T. Musie; Swadhin K. Mandal; Utpal Ghosh; Manindranath Bera
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2880 - 2890
a	13.9984 ± 0.0009 Å
b	17.3764 ± 0.0012 Å
c	18.428 ± 0.0012 Å
α	109.399 ± 0.004°
β	103.984 ± 0.004°
γ	99.382 ± 0.004°
Cell volume	3955.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2441
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334098.cif
99911	2014-02-04	cif/ Adding structures of 4334098 via cif-deposit CGI script.	4334098.cif