Crystallography Open Database

Information card for entry 7200478

7200477 << 7200478 >> 7200479

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Coordinates	7200478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cd N10 O10
Calculated formula	C36 H28 Cd N10 O9.98
Title of publication	Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion
Authors of publication	Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	796 - 802
a	9.131 ± 0.004 Å
b	11.139 ± 0.004 Å
c	20.248 ± 0.007 Å
α	89.912 ± 0.007°
β	85.131 ± 0.009°
γ	70.814 ± 0.007°
Cell volume	1937.3 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1438
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
218466 (current)	2019-09-18	cif/7/20/04/ Replaced the incorrect bibliographical reference to the original publication with a proper one in entries 7200476-7200479.	7200478.cif
180335	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/04.	7200478.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200478.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200478.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200478.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200478.cif