Crystallography Open Database

Information card for entry 4501986

4501985 << 4501986 >> 4501987

Preview

Coordinates	4501986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H40 Cd3 N8 O14
Calculated formula	C60 H40 Cd3 N8 O14
Title of publication	Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands
Authors of publication	Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-Qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	4135
a	9.961 ± 0.002 Å
b	17.75 ± 0.004 Å
c	15.444 ± 0.004 Å
α	90°
β	92.662 ± 0.005°
γ	90°
Cell volume	2727.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0597
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179550 (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 4/50/19.	4501986.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501986.cif
36193	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501983, 4501984, 4501985, 4501986, 4501987, 4501988 via cif-deposit CGI script.	4501986.cif