Crystallography Open Database

Information card for entry 2241679

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Structure parameters

Chemical name	Bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^]bis[chloridooxidovanadium(IV)]
Formula	C18 H40 Cl2 O6 P2 V2
Calculated formula	C18 H40 Cl2 O6 P2 V2
SMILES	C(C)(C)P1(C(C)(C)[O]2[V](Cl)([O]=1)([O]1C(C)(C)P(C(C)C)(C(C)C)=[O][V]21(=O)Cl)=O)C(C)C
Title of publication	Crystal structure of bis[μ-2-(diisopropylphosphoryl)propan-2-olato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^]bis[chloridooxidovanadium(IV)]
Authors of publication	Glatz, Mathias; Stöger, Berthold; Weil, Matthias; Kirchner, Karl
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	6
Pages of publication	785 - 788
a	8.0592 ± 0.0017 Å
b	8.611 ± 0.002 Å
c	10.17 ± 0.002 Å
α	104.148 ± 0.007°
β	96.778 ± 0.006°
γ	98.132 ± 0.006°
Cell volume	668.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.53
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
182821 (current)	2016-05-07	cif/ hkl/ Adding structures of 2241679 via cif-deposit CGI script.	2241679.cif 2241679.hkl