Crystallography Open Database

Information card for entry 4104746

Preview

Coordinates	4104746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H40.83 Ag F N3 O5.83 P0.17
Calculated formula	C31.5 H40.83 Ag F N3 O5.83 P0.166667
Title of publication	Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers
Authors of publication	Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10452 - 10460
a	23.6519 ± 0.0003 Å
b	23.6519 ± 0.0003 Å
c	39.4914 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	19132.2 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4104746.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104746.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104746.cif
29776	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104746 via cif-deposit CGI script.	4104746.cif