Crystallography Open Database

Information card for entry 4500563

Preview

Coordinates	4500563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H142 Ag4 B4 F16 N24
Calculated formula	C118 H142 Ag4 B4 F16 N24
Title of publication	Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation
Authors of publication	Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1766
a	29.1306 ± 0.001 Å
b	29.1306 ± 0.001 Å
c	18.2305 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	15470.3 ± 1.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	0.896
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179536 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05.	4500563.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500563.cif
34549	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500561, 4500562, 4500563 via cif-deposit CGI script.	4500563.cif