Crystallography Open Database

Information card for entry 4329005

Preview

Coordinates	4329005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Na6 O39 Pd12 Se8 Zn
Calculated formula	Na6 O39 Pd12 Se8 Zn
SMILES	[Na+].[Na+].[Na+].[Na+].[O]123[Pd]45[O]67[Pd]89[O]%10%11[Pd]%12([O]%13%14[Pd]%15%16[O]%17%18[Pd]%19([O]%20%21[Pd]1([O]=[Se](O%19)O[Pd]%21O1)O[Se](O5)=[O][Pd]53[O]3[Zn]27%10%13%18%20[O]2[Pd]%14(O[Se]1=[O][Pd]32O[Se]1O5)[O]=[Se](O%16)O%12)[O]=[Se](O%15)O[Pd]6%17[O]=[Se](O4)O9)[O]=[Se](O8)O[Pd]%11[O]=1.O.O.O.O.[Na+].[Na+].O.O.O
Title of publication	Cation-Induced Synthesis of New Polyoxopalladates
Authors of publication	Zheng-Guo Lin; Bo Wang; Jie Cao; Bao-Kuan Chen; Yuan-Zhe Gao; Ying-Nan Chi; Chong Xu; Xian-Qiang Huang; Ruo-Dan Han; Shuang-Yue Su; Chang-Wen Hu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4435 - 4437
a	18.662 ± 0.005 Å
b	12.713 ± 0.004 Å
c	18.492 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4387 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
179393 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/90.	4329005.cif
78045	2013-04-01	cif/ Adding structures of 4329005 via cif-deposit CGI script.	4329005.cif