Crystallography Open Database

Information card for entry 4504309

Preview

Coordinates	4504309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 Cd3 N6 O22 P2 S2
Calculated formula	C42 H32 Cd3 N6 O22 P2 S2
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	20.4331 ± 0.0001 Å
b	11.7979 ± 0.0002 Å
c	23.9485 ± 0.0003 Å
α	90°
β	112.723 ± 0.001°
γ	90°
Cell volume	5325.11 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0494
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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.	4504309.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504309.cif
45044	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504309 via cif-deposit CGI script.	4504309.cif