Crystallography Open Database

Information card for entry 7210331

Preview

Coordinates	7210331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H82 N12 O37 Pd6 S10
Calculated formula	C30 H60 N12 O37 Pd6 S10
Title of publication	Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters
Authors of publication	Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	33
Pages of publication	6461
a	16.252 ± 0.003 Å
b	19.15 ± 0.003 Å
c	22.751 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7081 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7210331.cif
87600	2013-08-27	cif/ Adding structures of 7210330, 7210331 via cif-deposit CGI script.	7210331.cif