Crystallography Open Database

Information card for entry 2240838

Preview

Coordinates	2240838.cif
Structure factors	2240838.hkl
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate
Formula	H42.5 Na4.5 O48 Pt V9
Calculated formula	H36.5 Na4.5 O48 Pt V9
SMILES	O=[V]1234O[V]567(=O)O[V]89(=O)([OH]1)O[V]1%10(=O)(O5)[O]5[V]%11%12%13(O6)O[V]6%14%15(=O)O[V]%16%17(=O)(O[V]%18%19(=O)(O[V]%205(=O)(O6)[O]1[Pt]([OH]%18)([OH]8)([O]3%16)([O]%12%15%17%19%20)[O]479%10%13)O%14)[O]2%11.O=[V]1234O[V]567(=O)O[V]89(=O)([OH]1)O[V]1%10(=O)(O5)[O]5[V]%11%12%13(O6)O[V]6%14%15(=O)O[V]%16%17(=O)(O[V]%18%19(=O)(O[V]%205(=O)(O6)[O]1[Pt]([OH]%18)([OH]8)([O]3%16)([O]%12%15%17%19%20)[O]479%10%13)O%14)[O]2%11.[Na+].O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.O.[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O
Title of publication	Double salt crystal structure of nonasodium dihydrogen nonavanadoplatinate(IV) trihydrogen nonavanadoplatinate(IV) tetracontahydrate: stepwise-protonated nonavanadoplatinate(IV)
Authors of publication	Joo, Hea-Chung; Park, Ki-Min; Lee, Uk
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	7
Pages of publication	786 - 790
a	12.706 ± 0.001 Å
b	12.875 ± 0.001 Å
c	28.319 ± 0.002 Å
α	93.76 ± 0.001°
β	98.449 ± 0.001°
γ	113.318 ± 0.001°
Cell volume	4168.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181908 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08	2240838.cif 2240838.hkl
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	2240838.cif 2240838.hkl
139206	2015-06-14	cif/ hkl/ Adding structures of 2240838 via cif-deposit CGI script.	2240838.cif 2240838.hkl