Crystallography Open Database

Information card for entry 4503900

Preview

Coordinates	4503900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 Mn N8 O8 S
Calculated formula	C35 H36 Mn N8 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	13.4986 ± 0.0011 Å
b	12.4995 ± 0.001 Å
c	23.7889 ± 0.0016 Å
α	90 ± 0.002°
β	117.259 ± 0.004°
γ	90 ± 0.002°
Cell volume	3568 ± 0.5 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1295
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179574 (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 4/50/39.	4503900.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503900.cif
44802	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503900 via cif-deposit CGI script.	4503900.cif