Crystallography Open Database

Information card for entry 4325878

Preview

Coordinates	4325878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Cd6 N16 O31 S2
Calculated formula	C50 H40 Cd6 N16 O31 S2
Title of publication	Formation of Zn(II) and Cd(II) Coordination Polymers Assembled by Triazine-Based Polycarboxylate and in-Situ-Generated Pyridine-4-thiolate or Dipyridylsulfide Ligands: Observation of an Unusual Luminescence Thermochromism
Authors of publication	Qilong Zhu; Tianlu Sheng; Chunhong Tan; Shengmin Hu; Ruibiao Fu; Xintao Wu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7618 - 7624
a	36.285 ± 0.015 Å
b	37.132 ± 0.014 Å
c	9.665 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	13022 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325878.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325878.cif
46914	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325878 via cif-deposit CGI script.	4325878.cif