Crystallography Open Database

Information card for entry 4503897

Preview

Coordinates	4503897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H56 Cd3 N12 O16 S2
Calculated formula	C56 H56 Cd3 N12 O16 S2
Title of publication	Syntheses, Structures, and Photoluminescent and Magnetic Studies of Metal−Organic Frameworks Assembled with 5-Sulfosalicylic Acid and 1,4-Bis(imidazol-1-ylmethyl)-benzene
Authors of publication	Lu, Zhenda; Wen, Lili; Ni, Zhaoping; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	2
Pages of publication	268
a	13.435 ± 0.003 Å
b	16 ± 0.004 Å
c	14.127 ± 0.003 Å
α	90°
β	95.479 ± 0.004°
γ	90°
Cell volume	3022.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179573 (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 4/50/38.	4503897.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503897.cif
44799	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503897 via cif-deposit CGI script.	4503897.cif