Crystallography Open Database

Information card for entry 4504308

Preview

Coordinates	4504308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H108 Cd6 N16 O38 P4 S4
Calculated formula	C120 H80 Cd6 N16 O38 P4 S4
Title of publication	Novel Cadmium(II) Phosphonatophenylsulfonate Cluster Compounds: Syntheses, Structures, and Luminescent Properties
Authors of publication	Du, Zi-Yi; Li, Xiu-Ling; Liu, Qing-Yan; Mao, Jiang-Gao
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	8
Pages of publication	1501
a	17.152 ± 0.004 Å
b	21.12 ± 0.005 Å
c	21.207 ± 0.005 Å
α	84.59 ± 0.009°
β	76.168 ± 0.009°
γ	67.475 ± 0.006°
Cell volume	6890 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1297
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.2181
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179578 (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 4/50/43.	4504308.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504308.cif
45043	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504308 via cif-deposit CGI script.	4504308.cif