Crystallography Open Database

Information card for entry 7019408

7019407 << 7019408 >> 7019409

Preview

Coordinates	7019408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H90 N16 O49 Sb4 V16 Zn2
Calculated formula	C24 H76 N16 O49 Sb4 V16 Zn2
SMILES	C1C[N]23CC[NH2][Zn]3([NH2]1)([NH2]CC2)[NH2]CCN(CC[NH3+])CC[NH3+].[O]12[V]34([O]5[V]67(=O)[O]8[V]9(=O)([O]36)[O]3[V]6%10([O]%11[V]%12%13([O]%14[V]%15%16(=O)[O]([V]%178([O]%15[V]8%15([O]%18[Sb](O[Sb]5[O]5[V]%19%202([O]2[V]%21%22([O]%23[V]%24(=O)([O]%12[V]([O]%168)([O]%15[V]%185([O]%19%21)=O)(=O)[O]%22%24)[O]%13[Sb]5O[Sb]%23[O]8[V]1%202([O]4[V]8([O]96)([O]%105)=O)=O)=O)=O)[O]7%17)=O)=O)[V]3%11%14=O)=O)=O)=O.O.O.O.O.C1C[N]23CC[NH2][Zn]3([NH2]1)([NH2]CC2)[NH2]CCN(CC[NH3+])CC[NH3+].O.O.O
Title of publication	A C(2)-symmetric antimonato polyoxovanadate cluster [V(16)Sb(4)O(42)(H(2)O)](8-) derived from the {V(18)O(42)} archetype.
Authors of publication	Antonova, Elena; Näther, Christian; Kögerler, Paul; Bensch, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	23
Pages of publication	6957 - 6962
a	30.707 ± 0.0019 Å
b	13.9512 ± 0.0005 Å
c	23.1435 ± 0.0014 Å
α	90°
β	128.076 ± 0.006°
γ	90°
Cell volume	7804.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019408.cif
171412	2015-12-10	cif/7/01/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with empty or malformed values from entry 7019408.	7019408.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019408.cif
62862	2012-07-09	cif/ Adding structures of 7019408 via cif-deposit CGI script.	7019408.cif