Crystallography Open Database

Information card for entry 4333793

Preview

Coordinates	4333793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Cl0 N4 O P
Calculated formula	C26 H27 N4 O P
Title of publication	Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration
Authors of publication	Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1737 - 1746
a	8.4849 ± 0.0017 Å
b	15.47 ± 0.003 Å
c	16.997 ± 0.003 Å
α	90°
β	100.05 ± 0.03°
γ	90°
Cell volume	2196.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0718
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179440 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/37.	4333793.cif
99600	2014-02-03	cif/ Adding structures of 4333793 via cif-deposit CGI script.	4333793.cif