Crystallography Open Database

Information card for entry 4316401

Preview

Coordinates	4316401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H18 Cu3 F18 N6
Calculated formula	C36 H18 Cu3 F18 N6
Title of publication	Ligand Influence on Metal Aggregation: a Unique Bonding Mode for Pyridylpyrrolides
Authors of publication	José G. Andino; Jaime A. Flores; Jonathan A. Karty; Joseph P. Massa; Hyunsoo Park; Nikolay P. Tsvetkov; Robert J. Wolfe; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7626 - 7628
a	10.8369 ± 0.0004 Å
b	11.0393 ± 0.0004 Å
c	17.7522 ± 0.0007 Å
α	105.471 ± 0.001°
β	92.175 ± 0.001°
γ	109.479 ± 0.001°
Cell volume	1910.71 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
179244 (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 4/31/64.	4316401.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4316401.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316401.cif
9597	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316401 via cif-deposit CGI script.	4316401.cif