Crystallography Open Database

Information card for entry 7049533

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Coordinates	7049533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H72 B3 O3 S2 U
Calculated formula	C63 H72 B3 O3 S2 U
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	12.3086 ± 0.0002 Å
b	14.3349 ± 0.0002 Å
c	21.6092 ± 0.0004 Å
α	77.206 ± 0.001°
β	87.126 ± 0.001°
γ	84.907 ± 0.001°
Cell volume	3701.62 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	170 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	0.0561
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7049533.cif
214420	2019-03-30	cif/ Adding structures of 7049530, 7049531, 7049532, 7049533, 7049534, 7049535, 7049536, 7049537, 7049538, 7049539 via cif-deposit CGI script.	7049533.cif