Crystallography Open Database

Information card for entry 4323543

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Coordinates	4323543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H62 Cl2 Nb O3 P
Calculated formula	C44 H62 Cl2 Nb O3 P
Title of publication	Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)
Authors of publication	Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	3623 - 3631
a	13.1862 ± 0.0009 Å
b	13.3274 ± 0.0012 Å
c	13.4391 ± 0.0016 Å
α	85.553 ± 0.009°
β	73.433 ± 0.009°
γ	89.794 ± 0.007°
Cell volume	2256.5 ± 0.4 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.071
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections	0.112
Weighted residual factors for significantly intense reflections	0.086
Goodness-of-fit parameter for all reflections	1.169
Goodness-of-fit parameter for significantly intense reflections	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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