Crystallography Open Database

Information card for entry 4500736

Preview

Coordinates	4500736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 O29 Zn4
Calculated formula	C60 H54 O29 Zn4
Title of publication	Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid
Authors of publication	Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2444
a	9.3243 ± 0.0009 Å
b	26.939 ± 0.003 Å
c	14.4535 ± 0.0014 Å
α	90°
β	93.068 ± 0.001°
γ	90°
Cell volume	3625.3 ± 0.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179538 (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 4/50/07.	4500736.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500736.cif
34615	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500735, 4500736, 4500737, 4500738 via cif-deposit CGI script.	4500736.cif