Crystallography Open Database

Information card for entry 4501338

Preview

Coordinates	4501338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N10 O11 Zn2
Calculated formula	C34 H34 N10 O11 Zn2
Title of publication	A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties
Authors of publication	Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5540
a	12.5216 ± 0.0005 Å
b	16.6325 ± 0.0005 Å
c	18.2844 ± 0.0007 Å
α	90°
β	106.623 ± 0.004°
γ	90°
Cell volume	3648.9 ± 0.2 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	0.0423
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	0.879
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
179544 (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 4/50/13.	4501338.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501338.cif
34866	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501328, 4501329, 4501330, 4501331, 4501332, 4501333, 4501334, 4501335, 4501336, 4501337, 4501338, 4501339, 4501340 via cif-deposit CGI script.	4501338.cif