Crystallography Open Database

Information card for entry 7019449

7019448 << 7019449 >> 7019450

Preview

Coordinates	7019449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H55.5 Cl2 Cu N10.5 O14
Calculated formula	C52 H55.5 Cl2 Cu N10.5 O14
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	23.7111 ± 0.0004 Å
b	17.7456 ± 0.0003 Å
c	26.316 ± 0.0019 Å
α	90°
β	107.05 ± 0.007°
γ	90°
Cell volume	10586.3 ± 0.9 Å³
Cell temperature	85 K
Ambient diffraction temperature	85 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7019449.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019449.cif
62870	2012-07-09	cif/ Adding structures of 7019448, 7019449, 7019450 via cif-deposit CGI script.	7019449.cif