Crystallography Open Database

Information card for entry 4511139

Preview

Coordinates	4511139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Cu N2 O4
Calculated formula	C17 H11 Cu N2 O4
Title of publication	Structures, Photoluminescence, and Photocatalytic Properties of Six New Metal−Organic Frameworks Based on Aromatic Polycarboxylate Acids and Rigid Imidazole-Based Synthons
Authors of publication	Wen, Li-Li; Wang, Feng; Feng, Juan; Lv, Kang-Le; Wang, Cheng-Gang; Li, Dong-Feng
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3581
a	10.89 ± 0.001 Å
b	10.8796 ± 0.001 Å
c	13.672 ± 0.0013 Å
α	90°
β	108.386 ± 0.002°
γ	90°
Cell volume	1537.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	0.81
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
179658 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11.	4511139.cif
114715	2014-05-29	cif/ Adding structures of 4511139, 4511140, 4511141, 4511142, 4511143, 4511144 via cif-deposit CGI script.	4511139.cif