Crystallography Open Database

Information card for entry 4503057

Preview

Coordinates	4503057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 N2 O13 Zn3
Calculated formula	C30 H22 N2 O13 Zn3
Title of publication	Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties
Authors of publication	Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	427
a	8.9508 ± 0.0018 Å
b	9.0892 ± 0.0018 Å
c	19.802 ± 0.004 Å
α	95.64 ± 0.03°
β	97.68 ± 0.03°
γ	118.25 ± 0.03°
Cell volume	1382.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.23
Weighted residual factors for all reflections included in the refinement	0.2423
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179561 (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 4/50/30.	4503057.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503057.cif
41317	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503053, 4503054, 4503055, 4503056, 4503057 via cif-deposit CGI script.	4503057.cif