Crystallography Open Database

Information card for entry 7034091

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Coordinates	7034091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H194 Cl N6 Nb O8
Calculated formula	C139 H192.5 Cl N5.5 Nb O8
Title of publication	Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone.
Authors of publication	Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	27
Pages of publication	12349 - 12356
a	17.5553 ± 0.0017 Å
b	19.1574 ± 0.0015 Å
c	22.552 ± 0.003 Å
α	74.926 ± 0.008°
β	81.846 ± 0.009°
γ	73.063 ± 0.007°
Cell volume	6988 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.2149
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	0.791
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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