Crystallography Open Database

Information card for entry 4503702

Preview

Coordinates	4503702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36.8 N4 O8.43 Pd S2
Calculated formula	C31 H36.8 N4 O8.4 Pd S2
Title of publication	Supramolecular Aggregation of Pd(II) Monohelicates Directed by Discrete (H2O)8Clusters in a 1,4-Diaxially Substituted Hexameric Chairlike Conformation
Authors of publication	Vázquez López, Miguel; Zaragoza, Guillermo; Otero, Marta; Pedrido, Rosa; Rama, Gustavo; Bermejo, Manuel R.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2083
a	10.1084 ± 0.0006 Å
b	13.2472 ± 0.0007 Å
c	25.7538 ± 0.0016 Å
α	90°
β	92.146 ± 0.003°
γ	90°
Cell volume	3446.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1574
Residual factor for significantly intense reflections	0.0923
Weighted residual factors for significantly intense reflections	0.231
Weighted residual factors for all reflections included in the refinement	0.2667
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
179572 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/37.	4503702.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503702.cif
41722	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503702 via cif-deposit CGI script.	4503702.cif