Crystallography Open Database

Information card for entry 4507803

Preview

Coordinates	4507803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H90 Cu2 F12 N26 O28 P2
Calculated formula	C96 H48 Cu2 N12
Title of publication	Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics
Authors of publication	Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2350
a	23.653 ± 0.005 Å
b	23.737 ± 0.004 Å
c	51.93 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	29156 ± 10 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1779
Residual factor for significantly intense reflections	0.1336
Weighted residual factors for significantly intense reflections	0.3397
Weighted residual factors for all reflections included in the refinement	0.359
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179614 (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 4/50/78.	4507803.cif
87085	2013-07-14	cif/ Adding structures of 4507798, 4507799, 4507800, 4507801, 4507802, 4507803, 4507804, 4507805 via cif-deposit CGI script.	4507803.cif