Crystallography Open Database

Information card for entry 4329002

Preview

Coordinates	4329002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Na11 O118 Pd30 Se20
Calculated formula	Na11 O118 Pd30 Se20
SMILES	[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.[O]12[Pd]34[O]5[Pd]67[O]=[Se]8O[Pd]9%10[O]%11[Pd]%12%13[O]%14[Pd]%15([O]=[Se]%16O[Pd]%171[O]%15[Pd]1([O]%15[Pd]%18%19[O]%20[Pd]%21([O]=[Se](O%18)O[Pd]2%20[O]=[Se](O%17)O4)[O]2[Pd](O8)([O]6%10)[O]=[Se](O%21)O[Pd]42[O]2[Pd]%11(O[Se](=[O]4)O[Pd]%152[O]=[Se](O%19)O1)[O]=[Se](O9)O%12)O%16)O[Se](=[O][Pd]5%14O[Se](=[O]3)O7)O%13.[O]12[Pd]34[O]5[Pd]67[O]=[Se](O3)O[Pd]35[O]5[Pd]89[O]%10[Pd]%11%12[O]%13[Pd]%14%15[O]%16[Pd]%17%18[O]%19[Pd]%20([O]6[Pd]6([O]%21[Pd]2([O]=[Se](O4)O[Pd]21[O]1[Pd]%13([O]=[Se](O2)O[Pd]51[O]=[Se](O3)O8)O[Se](=[O]%15)O%12)O[Se](=[O][Pd]%16%21O[Se](=[O]%14)O%18)O6)[O]=[Se](O7)O%20)[O]=[Se](O%17)O[Pd]%10%19[O]=[Se](O%11)O9.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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	18.784 ± 0.0007 Å
b	19.797 ± 0.0008 Å
c	36.8698 ± 0.0014 Å
α	90°
β	99.272 ± 0.001°
γ	90°
Cell volume	13531.5 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4329002.cif
78042	2013-04-01	cif/ Adding structures of 4329002 via cif-deposit CGI script.	4329002.cif