Crystallography Open Database

Information card for entry 4123325

Preview

Coordinates	4123325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Cu2 F18 N17 O5 P3
Calculated formula	C38 H64 Cu2 F18 N17 O5 P3
Title of publication	Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).
Authors of publication	Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	3
Pages of publication	1141 - 1146
a	7.335 ± 0.005 Å
b	13.809 ± 0.005 Å
c	15.409 ± 0.005 Å
α	67.237 ± 0.005°
β	79.517 ± 0.005°
γ	76.142 ± 0.005°
Cell volume	1390.3 ± 1.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1315
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1243
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
179035 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33.	4123325.cif
130306	2015-02-03	cif/ Adding structures of 4123324, 4123325 via cif-deposit CGI script.	4123325.cif