Crystallography Open Database

Information card for entry 4508059

Preview

Coordinates	4508059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H46 Cd2 N12 O11
Calculated formula	C64 H46 Cd2 N12 O11
Title of publication	Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties
Authors of publication	Singh, Ruchi; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3722
a	29.729 ± 0.004 Å
b	16.864 ± 0.005 Å
c	10.889 ± 0.003 Å
α	90°
β	92.976 ± 0.005°
γ	90°
Cell volume	5452 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0479
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179616 (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 4/50/80.	4508059.cif
87794	2013-08-27	cif/ Adding structures of 4508055, 4508056, 4508057, 4508058, 4508059, 4508060, 4508061, 4508062 via cif-deposit CGI script.	4508059.cif