Crystallography Open Database

Information card for entry 4511140

Preview

Coordinates	4511140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 Cu3 N8 O15
Calculated formula	C54 H34 Cu3 N8 O15
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	9.0054 ± 0.0008 Å
b	20.5792 ± 0.0017 Å
c	13.5181 ± 0.0011 Å
α	90°
β	99.438 ± 0.002°
γ	90°
Cell volume	2471.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0624
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511140.cif
114715	2014-05-29	cif/ Adding structures of 4511139, 4511140, 4511141, 4511142, 4511143, 4511144 via cif-deposit CGI script.	4511140.cif