Crystallography Open Database

Information card for entry 4501715

Preview

Coordinates	4501715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cd3 N O17
Calculated formula	C33 H18 Cd3 N O17
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	32.476 ± 0.011 Å
b	23.135 ± 0.008 Å
c	18.163 ± 0.006 Å
α	90°
β	112.301 ± 0.006°
γ	90°
Cell volume	12626 ± 7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
179548 (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 4/50/17.	4501715.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501715.cif
36050	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501715 via cif-deposit CGI script.	4501715.cif