Crystallography Open Database

Information card for entry 7019448

7019447 << 7019448 >> 7019449

Preview

Coordinates	7019448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49.5 Cu F6 N8.5 O6 P
Calculated formula	C48 H49.5 Cu F6 N8.5 O6 P
Title of publication	A tris(2-quinolylmethyl)amine scaffold that promotes hydrogen bonding within the secondary coordination sphere.
Authors of publication	Moore, Cameron M.; Szymczak, Nathaniel K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7886 - 7889
a	14.3615 ± 0.0012 Å
b	28.41 ± 0.003 Å
c	13.7532 ± 0.0013 Å
α	90°
β	115.017 ± 0.008°
γ	90°
Cell volume	5085 ± 0.9 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.2558
Weighted residual factors for all reflections included in the refinement	0.2893
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019448.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019448.cif
62870	2012-07-09	cif/ Adding structures of 7019448, 7019449, 7019450 via cif-deposit CGI script.	7019448.cif