Crystallography Open Database

Information card for entry 4109697

Preview

Coordinates	4109697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H44 N10 O12 Zn2
Calculated formula	C68.99 H44 N10 O12 Zn2
Title of publication	Exciplex Fluorescence as a Diagnostic Probe of Structure in Coordination Polymers of Zn2+and 4,4'-Bipyridine Containing Intercalated Pyrene and Enclathrated Aromatic Solvent Guests
Authors of publication	Gregory J. McManus; John J. Perry; Mark Perry; Brian D. Wagner; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9094 - 9101
a	11.3895 ± 0.0011 Å
b	15.1659 ± 0.0014 Å
c	17.8768 ± 0.0016 Å
α	88.365 ± 0.002°
β	73.96 ± 0.002°
γ	87.75 ± 0.002°
Cell volume	2964.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0975
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1962
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
178842 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109697.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109697.cif
58474	2012-05-28	cif/ Adding structures of 4109697 via cif-deposit CGI script.	4109697.cif