Crystallography Open Database

Information card for entry 4501714

Preview

Coordinates	4501714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H39 N3 O16.5 Zn3
Calculated formula	C40.5 H37.5 N3 O16.5 Zn3
Title of publication	A New Multidentate Hexacarboxylic Acid for the Construction of Porous Metal−Organic Frameworks of Diverse Structures and Porosities
Authors of publication	Chen, Zhenxia; Xiang, Shengchang; Liao, Tengbiao; Yang, Yongtai; Chen, Yu-Sheng; Zhou, Yaming; Zhao, Dongyuan; Chen, Banglin
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2775
a	22.602 ± 0.003 Å
b	22.602 ± 0.003 Å
c	39.721 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	17573 ± 5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4501714.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501714.cif
36049	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501714 via cif-deposit CGI script.	4501714.cif