Crystallography Open Database

Information card for entry 7130205

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Coordinates	7130205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H148 N10 Nb2 O15 V2
Calculated formula	C110 H142 N8 Nb2 O15 V2
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	16.0305 ± 0.0003 Å
b	19.5063 ± 0.0004 Å
c	21.081 ± 0.0004 Å
α	79.9014 ± 0.0016°
β	70.1965 ± 0.0017°
γ	69.0785 ± 0.0017°
Cell volume	5782.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0607
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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