Crystallography Open Database

Information card for entry 4318874

Preview

Coordinates	4318874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H94 Nb2 O8
Calculated formula	C68 H94 Nb2 O8
SMILES	O1c2c(Cc3c4c(Cc5c(c(cc(c5)C)C)O[Nb]51(C)([O]4[Nb]14(Oc6c(cc(cc6Cc6c([O]51)c(cc(c6)C(C)(C)C)Cc1c(O4)c(cc(c1)C)C)C)C)(C)C)C)cc(c3)C(C)(C)C)cc(cc2C)C.O(CC)CC.O(CC)CC
Title of publication	Synthesis and Structures of Niobium(V) Complexes Stabilized by Linear-Linked Aryloxide Trimers
Authors of publication	Tsukasa Matsuo; Hiroyuki Kawaguchi
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6090 - 6098
a	11.84 ± 0.004 Å
b	15.601 ± 0.005 Å
c	17.967 ± 0.007 Å
α	90°
β	91.094 ± 0.004°
γ	90°
Cell volume	3318 ± 2 Å³
Cell temperature	173.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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