Crystallography Open Database

Information card for entry 7130206

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Coordinates	7130206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C109.55 H144.73 Li N5 Nb O15 W2
Calculated formula	C109.553 H144.735 Li N5 Nb O15 W2
Title of publication	Mixed-metal calix[8]arene complexes: Structure, and ring opening polymerization studies
Authors of publication	Xing, Tian; Derbyshire, Max; Elsegood, Mark Robert James; Redshaw, Carl
Journal of publication	Chemical Communications
Year of publication	2022
a	15.4661 ± 0.0002 Å
b	17.4102 ± 0.0003 Å
c	22.4328 ± 0.0003 Å
α	80.1717 ± 0.0012°
β	85.4069 ± 0.0011°
γ	66.0269 ± 0.0014°
Cell volume	5437.97 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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