Crystallography Open Database

Information card for entry 4129723

Preview

Coordinates	4129723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C258 H169 B4 F40 N39 O24 S8 Zn4
Calculated formula	C256.88 H169 B4 F40.12 N38.44 O21.76 S6.88 Zn4
Title of publication	Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.
Authors of publication	Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	45
Pages of publication	14502 - 14512
a	14.8197 ± 0.0007 Å
b	47.047 ± 0.002 Å
c	20.255 ± 0.0009 Å
α	90°
β	104.428 ± 0.002°
γ	90°
Cell volume	13676.8 ± 1.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1266
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.267
Weighted residual factors for all reflections included in the refinement	0.2844
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240391 (current)	2019-11-25	cif/ Adding structures of 4129723 via cif-deposit CGI script.	4129723.cif