Crystallography Open Database

Information card for entry 7210330

Preview

Coordinates	7210330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H70 Cl2 N8 O28 Pd6 S8
Calculated formula	C24 H46 Cl2 N8 O28 Pd6 S8
SMILES	[Pd]123[S]4C[C@H]([NH2][Pd]54[NH2][C@@H](C[S]5[Pd]([S]4C[C@@H](C(=O)O)[NH2][Pd]54[NH2][C@@H](C[S]15)C(=O)O)([S]1C[C@@H](C(=O)O)[NH2][Pd]41[NH2][C@@H](C[S]24)C(=O)O)[S]1C[C@@H](C(=O)O)[NH2][Pd]21[NH2][C@@H](C[S]32)C(=O)O)C(=O)O)C(=O)O.O.[Cl-].O.O.O.O.O.O.O.O.O.O.O
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	18.044 ± 0.006 Å
b	18.044 ± 0.006 Å
c	19.407 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	6319 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
208944 (current)	2018-07-10	Fixing several Z values and formula	7210330.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7210330.cif
87600	2013-08-27	cif/ Adding structures of 7210330, 7210331 via cif-deposit CGI script.	7210330.cif