Crystallography Open Database

Information card for entry 4509470

Preview

Coordinates	4509470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 N5 Ni2 O15 V4
Calculated formula	C25 H31 N5 Ni2 O15 V4
Title of publication	Inorganic−Organic Hybrid Materials with Novel Framework Structures: Synthesis, Structure, and Magnetic Properties of [Ni(py)4]2V10O29and [Ni2(py)5(H2O)3]V4O12
Authors of publication	Khan, M. Ishaque; Nome, Renata C.; Deb, Sangita; McNeely, James H.; Cage, Brant; Doedens, Robert J.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	6
Pages of publication	2848
a	17.48 ± 0.004 Å
b	11.444 ± 0.003 Å
c	17.45 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3490.7 ± 1.6 Å³
Cell temperature	169 ± 2 K
Ambient diffraction temperature	169 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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