Crystallography Open Database

Information card for entry 4318873

Preview

Coordinates	4318873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H94 Cl N2 Nb O6
Calculated formula	C72 H94 Cl N2 Nb O6
SMILES	[Nb]12(Cl)(Oc3c(cc(cc3Cc3c(O1)c(cc(c3)C(C)(C)C)Cc1c(O)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1Cc1c(O2)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C)[N]#CC.N#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	13.264 ± 0.001 Å
b	17.85 ± 0.001 Å
c	29.325 ± 0.002 Å
α	90°
β	93.814 ± 0.004°
γ	90°
Cell volume	6927.7 ± 0.8 Å³
Cell temperature	173.2 K
Number of distinct elements	6
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	0.072
Weighted residual factors for all reflections included in the refinement	0.23
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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