Crystallography Open Database

Information card for entry 1570986

Preview

Coordinates	1570986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 F6 N P
Calculated formula	C8 H20 F6 N P
Title of publication	Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.
Authors of publication	Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	12
Pages of publication	4478 - 4488
a	8.2349 ± 0.0002 Å
b	17.2894 ± 0.0006 Å
c	8.9716 ± 0.0003 Å
α	90°
β	97.378 ± 0.001°
γ	90°
Cell volume	1266.77 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
290870 (current)	2024-04-05	cif/ Updating files of 1570985, 1570986 Original log message: Adding full bibliography for 1570985--1570986.cif.	1570986.cif
289803	2024-02-14	cif/ Adding structures of 1570985, 1570986 via cif-deposit CGI script.	1570986.cif