Crystallography Open Database

Information card for entry 7049530

Preview

Coordinates	7049530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H106.67 B4 O4 U1.33
Calculated formula	C80 H106.667 B4 O4 U1.33333
Title of publication	Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.
Authors of publication	Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	15
Pages of publication	4894 - 4905
a	13.845 ± 0.0002 Å
b	14.9545 ± 0.0002 Å
c	31.694 ± 0.0004 Å
α	90°
β	96.521 ± 0.001°
γ	90°
Cell volume	6519.63 ± 0.15 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224395 (current)	2019-11-08	cif/ Updating files of 7049530, 7049531, 7049532, 7049533, 7049534, 7049535, 7049536, 7049537, 7049538, 7049539 Original log message: Adding full bibliography for 7049530--7049539.cif.	7049530.cif
214420	2019-03-30	cif/ Adding structures of 7049530, 7049531, 7049532, 7049533, 7049534, 7049535, 7049536, 7049537, 7049538, 7049539 via cif-deposit CGI script.	7049530.cif