Crystallography Open Database

Information card for entry 4500110

Preview

Coordinates	4500110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H54 Cd2 N6 O8
Calculated formula	C57 H54 Cd2 N6 O8
Title of publication	Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer
Authors of publication	Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	3
Pages of publication	678
a	22.0525 ± 0.0017 Å
b	23.1373 ± 0.0018 Å
c	10.1729 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5190.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179532 (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 4/50/01.	4500110.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500110.cif
34398	2012-02-25	cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong.	4500110.cif
34348	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500110 via cif-deposit CGI script.	4500110.cif