Crystallography Open Database

Information card for entry 4503899

Preview

Coordinates	4503899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 N8 Ni O8 S
Calculated formula	C35 H36 N8 Ni O8 S
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	24.6836 ± 0.0016 Å
b	16.73 ± 0.001 Å
c	18.9155 ± 0.001 Å
α	90°
β	116.116 ± 0.002°
γ	90°
Cell volume	7013.8 ± 0.7 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	0.0945
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4503899.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503899.cif
44801	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503899 via cif-deposit CGI script.	4503899.cif