Crystallography Open Database

Information card for entry 4306393

Preview

Coordinates	4306393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H48 Ag2 Cl6 F12 N4 P4
Calculated formula	C51 H48 Ag2 Cl6 F12 N4 P4
Title of publication	AgI Bimetallic Molecular Clips with Adaptive Coordination Behavior for Supramolecular Chemistry
Authors of publication	Stefan Welsch; Christophe Lescop; Manfred Scheer; Régis Réau
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8592 - 8594
a	9.1777 ± 0.0008 Å
b	52.808 ± 0.004 Å
c	11.427 ± 0.001 Å
α	90°
β	98.209 ± 0.002°
γ	90°
Cell volume	5481.4 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1657
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
179101 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/63.	4306393.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306393.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306393.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4306393.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306393.cif