Crystallography Open Database

Information card for entry 4504760

Preview

Coordinates	4504760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 Ag2 Cl5 F6 N8 O8
Calculated formula	C45 H36 Ag2 Cl5 F6 N8 O8
Title of publication	Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)
Authors of publication	Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	4
Pages of publication	974
a	9.4067 ± 0.0019 Å
b	24.33 ± 0.005 Å
c	11.965 ± 0.002 Å
α	90°
β	98.98 ± 0.03°
γ	90°
Cell volume	2704.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
179582 (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 4/50/47.	4504760.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504760.cif
47513	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504760, 4504761, 4504762, 4504763, 4504764, 4504765 via cif-deposit CGI script.	4504760.cif