Crystallography Open Database

Information card for entry 4325877

Preview

Coordinates	4325877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 Cd5 N16 O29 S4
Calculated formula	C50 H46 Cd5 N16 O29 S4
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	9.3162 ± 0.0008 Å
b	20.6527 ± 0.0018 Å
c	36.859 ± 0.005 Å
α	90°
β	94.048 ± 0.008°
γ	90°
Cell volume	7074.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0742
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4325877.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325877.cif
46913	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325877 via cif-deposit CGI script.	4325877.cif