Crystallography Open Database

Information card for entry 4506161

Preview

Coordinates	4506161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H75 Cd2 Cl4 N15 O6
Calculated formula	C81 H75 Cd2 Cl4 N15 O6
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	20.613 ± 0.002 Å
b	12.798 ± 0.0011 Å
c	18.8901 ± 0.0017 Å
α	90°
β	104.45 ± 0.001°
γ	90°
Cell volume	4825.7 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.1661
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2096
Weighted residual factors for all reflections included in the refinement	0.2387
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4506161.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506161.cif
62155	2012-07-07	cif/ Adding structures of 4506161 via cif-deposit CGI script.	4506161.cif