Crystallography Open Database

Information card for entry 4310831

Preview

Coordinates	4310831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H41 Co2 F18 N10 P3
Calculated formula	C13 H38 Co2 F18 N10 P3
Title of publication	NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands
Authors of publication	Pauli Kofod; Pernille Harris
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2680 - 2688
a	11.816 ± 0.002 Å
b	15.903 ± 0.003 Å
c	17.163 ± 0.005 Å
α	90°
β	93.51°
γ	90°
Cell volume	3219 ± 1.2 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 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	0.0734
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.325
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
179147 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/08.	4310831.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310831.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310831.cif
2323	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310831 via cif-deposit CGI script.	4310831.cif