Crystallography Open Database

Information card for entry 1520027

1520026 << 1520027 >> 1520028

Preview

Coordinates	1520027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Ir1.04 N3 O3
Calculated formula	C27 H30 Ir1.0418 N3 O3
Title of publication	Catalytic Transfer of Magnetism Using a Neutral Iridium Phenoxide Complex
Authors of publication	Ruddlesden, Amy J.; Mewis, Ryan E.; Green, Gary G. R.; Whitwood, Adrian C.; Duckett, Simon B.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	2997
a	8.7533 ± 0.0003 Å
b	19.4098 ± 0.0011 Å
c	13.9131 ± 0.0004 Å
α	90°
β	90.472 ± 0.003°
γ	90°
Cell volume	2363.75 ± 0.17 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 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	0.0415
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation probe	x-ray
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
140205 (current)	2015-07-05	cif/ Updating files of 1520027 Original log message: Adding full bibliography for 1520027.cif.	1520027.cif
137436	2015-05-28	cif/ Adding structures of 1520027 via cif-deposit CGI script.	1520027.cif