Crystallography Open Database

Information card for entry 4510735

Preview

Coordinates	4510735.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7
Formula	C95 H109 Co N3 O13
Calculated formula	C95 H109 Co N3 O13
Title of publication	Molecular Paneling in the Rational Design of Calixarene Coordination Polymers
Authors of publication	Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	2703
a	11.298 ± 0.002 Å
b	15.849 ± 0.003 Å
c	27.416 ± 0.005 Å
α	89.235 ± 0.003°
β	80.416 ± 0.003°
γ	80.184 ± 0.003°
Cell volume	4769.2 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0848
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2393
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179654 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07.	4510735.cif
113136	2014-05-08	cif/ Adding structures of 4510735 via cif-deposit CGI script.	4510735.cif