Crystallography Open Database

Information card for entry 4510089

Preview

Coordinates	4510089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 Cd2 N8 O16
Calculated formula	C54 H40 Cd2 N8 O16
Title of publication	3D Coordination Polymer of Cd(II) with an Imidazolium-Based Linker Showing Parallel Polycatenation Forming Channels with Aligned Imidazolium Groups
Authors of publication	Sen, Susan; Yamada, Teppei; Kitagawa, Hiroshi; Bharadwaj, Parimal K.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1240
a	46.715 ± 0.006 Å
b	9.674 ± 0.005 Å
c	32.798 ± 0.004 Å
α	90°
β	100.79 ± 0.005°
γ	90°
Cell volume	14560 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1672
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	0.803
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179647 (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 4/51/00.	4510089.cif
106313	2014-03-15	cif/ Adding structures of 4510089 via cif-deposit CGI script.	4510089.cif