Crystallography Open Database

Information card for entry 4506165

Preview

Coordinates	4506165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H84 Cd6 N22 O24 S6
Calculated formula	C116 H84 Cd6 N22 O24 S6
Title of publication	Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers
Authors of publication	Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3465
a	10.1093 ± 0.0012 Å
b	13.057 ± 0.0013 Å
c	24.359 ± 0.0019 Å
α	85.542 ± 0.002°
β	85.314 ± 0.002°
γ	80.749 ± 0.001°
Cell volume	3156.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179597 (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 4/50/61.	4506165.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506165.cif
62159	2012-07-07	cif/ Adding structures of 4506165 via cif-deposit CGI script.	4506165.cif