Crystallography Open Database

Information card for entry 4341438

Preview

Coordinates	4341438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H60 Cl6.5 Cu3 N15 Na O27.5 S0.5
Calculated formula	C58 H57 Cl6.5 Cu3 N15 Na O27.5 S0.5
Title of publication	Formation of Double-Strand Dimetallic Helicates with a Terpyridine-Based Macrocycle.
Authors of publication	Bazzicalupi, Carla; Bianchi, Antonio; Biver, Tarita; Giorgi, Claudia; Santarelli, Samuele; Savastano, Matteo
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141104130636006
a	36.131 ± 0.002 Å
b	20.2539 ± 0.0004 Å
c	28.6248 ± 0.0018 Å
α	90°
β	137.782 ± 0.012°
γ	90°
Cell volume	14076 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0759
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
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.	4341438.cif
126253	2014-11-05	cif/ Adding structures of 4341438 via cif-deposit CGI script.	4341438.cif