Crystallography Open Database

Information card for entry 7039537

Preview

Coordinates	7039537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H84 N2 O5.5 W
Calculated formula	C51.5 H82 N2 O5.5 W
Title of publication	Effective bromo and chloro peroxidation catalysed by tungsten(vi) amino triphenolate complexes.
Authors of publication	Badetti, Elena; Romano, Francesco; Marchiò, Luciano; Taşkesenlioğlu, Sara; Daştan, Arif; Zonta, Cristiano; Licini, Giulia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	37
Pages of publication	14603 - 14608
a	14.31 ± 0.001 Å
b	35.387 ± 0.003 Å
c	22.396 ± 0.002 Å
α	90°
β	106.356 ± 0.001°
γ	90°
Cell volume	10882.1 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
187139 (current)	2016-10-08	cif/ Updating files of 7039536, 7039537 Original log message: Adding full bibliography for 7039536--7039537.cif.	7039537.cif
183515	2016-06-16	cif/ Adding structures of 7039536, 7039537 via cif-deposit CGI script.	7039537.cif