Crystallography Open Database

Information card for entry 4507985

Preview

Coordinates	4507985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Ag B F4 N5 O0.5
Calculated formula	C18 H23 Ag B F4 N5 O0.5
Title of publication	Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers
Authors of publication	Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3275
a	13.4083 ± 0.0009 Å
b	14.0861 ± 0.001 Å
c	14.0815 ± 0.0008 Å
α	90°
β	116.311 ± 0.005°
γ	90°
Cell volume	2384.1 ± 0.3 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	260 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.141
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507985.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507985.cif
87779	2013-08-27	cif/ Adding structures of 4507984, 4507985, 4507986 via cif-deposit CGI script.	4507985.cif