Crystallography Open Database

Information card for entry 4501479

Preview

Coordinates	4501479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H82 Cl2 N12 O25 Zn3
Calculated formula	C60 H72 Cl2 N12 O25 Zn3
Title of publication	Zinc Tricarballylate Coordination Polymers with a Threaded-Loop Self-Penetrated Layer and Triply Interpenetrated 3,4-Connected Binodal Network Structures: Topological Control through Anion Inclusion
Authors of publication	Farnum, Gregory A.; LaDuca, Robert L.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1897
a	9.545 ± 0.003 Å
b	13.783 ± 0.004 Å
c	14.087 ± 0.004 Å
α	69.967 ± 0.003°
β	86.315 ± 0.004°
γ	88.713 ± 0.004°
Cell volume	1737.5 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1361
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179545 (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 4/50/14.	4501479.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501479.cif
35944	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501479 via cif-deposit CGI script.	4501479.cif