Crystallography Open Database

Information card for entry 4502207

Preview

Coordinates	4502207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H40 N4 O12 Zn3
Calculated formula	C60 H40 N4 O12 Zn3
Title of publication	Three-Dimensional Metal(II)−Organic Coordination Polymers from Binuclear, Trinuclear, and Polynuclear Clusters Bridged byp-Benzenediacrylates: Syntheses, Topologies, Photosensitive Properties, and Hydrogen Uptake
Authors of publication	Huang, Kun-Lin; Liu, Xi; Li, Ji-Kun; Ding, Yan-Wei; Chen, Xin; Zhang, Ming-Xing; Xu, Xiao-Bo; Song, Xiao-Jun
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	4
Pages of publication	1508
a	12.321 ± 0.003 Å
b	10.609 ± 0.003 Å
c	25.816 ± 0.007 Å
α	90°
β	91.739 ± 0.004°
γ	90°
Cell volume	3372.9 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1074
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179553 (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 4/50/22.	4502207.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502207.cif
36288	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502207 via cif-deposit CGI script.	4502207.cif