Crystallography Open Database

Information card for entry 7056787

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Coordinates	7056787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H84 Mo3 N3 O20 V3
Calculated formula	C39 H84 Mo3 N3 O20 V3
Title of publication	Microwave-assisted synthesis of organically functionalized hexa-molybdovanadates
Authors of publication	Karoui, H.; Ritchie, C.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	1
Pages of publication	25
a	15.7895 ± 0.0002 Å
b	18.862 ± 0.0003 Å
c	18.1257 ± 0.0002 Å
α	90°
β	98.459 ± 0.001°
γ	90°
Cell volume	5339.5 ± 0.12 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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