Crystallography Open Database

Information card for entry 4500842

Preview

Coordinates	4500842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H37 Ce2 N3 O22
Calculated formula	C33 H37 Ce2 N3 O22
Title of publication	Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity
Authors of publication	Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2621
a	9.6047 ± 0.0004 Å
b	10.0427 ± 0.0004 Å
c	11.4589 ± 0.0005 Å
α	96.126 ± 0.002°
β	97.2065 ± 0.0017°
γ	111.858 ± 0.0019°
Cell volume	1003.5 ± 0.07 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0538
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179539 (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 4/50/08.	4500842.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500842.cif
34649	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500839, 4500840, 4500841, 4500842, 4500843, 4500844, 4500845, 4500846, 4500847, 4500848, 4500849, 4500850 via cif-deposit CGI script.	4500842.cif