Crystallography Open Database

Information card for entry 7034092

Preview

Coordinates	7034092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H110 Cl6 N8 Nb2 O4
Calculated formula	C80 H110 Cl6 N8 Nb2 O4
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	10.8601 ± 0.0008 Å
b	12.151 ± 0.0009 Å
c	17.9452 ± 0.0013 Å
α	72.153 ± 0.013°
β	79.492 ± 0.015°
γ	77.185 ± 0.014°
Cell volume	2181.2 ± 0.3 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	0.1382
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.207
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180046 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40.	7034092.cif
143640	2015-07-11	cif/ Updating files of 7034090, 7034091, 7034092, 7034093, 7034094, 7034095, 7034096 Original log message: Adding full bibliography for 7034090--7034096.cif.	7034092.cif
132042	2015-02-19	cif/ Adding structures of 7034090, 7034091, 7034092, 7034093, 7034094, 7034095, 7034096 via cif-deposit CGI script.	7034092.cif