Crystallography Open Database

Information card for entry 7700007

Preview

Coordinates	7700007.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Hf(3,4,3-HOPO) trihydrate
Formula	C34 H40 Hf N8 O15
Calculated formula	C34 H40 Hf N8 O15
Title of publication	Inducing selectivity and chirality in group IV metal coordination with high-denticity hydroxypyridinones.
Authors of publication	Deblonde, Gauthier J.-P.; Lohrey, Trevor D.; Abergel, Rebecca J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	23
Pages of publication	8238 - 8247
a	16.0989 ± 0.0007 Å
b	16.9738 ± 0.0007 Å
c	13.3829 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3657 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224433 (current)	2019-11-08	cif/ Updating files of 7700007 Original log message: Adding full bibliography for 7700007.cif.	7700007.cif
215228	2019-05-17	cif/ Adding structures of 7700007 via cif-deposit CGI script.	7700007.cif