Crystallography Open Database

Information card for entry 4335530

Preview

Coordinates	4335530.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dipyridylzinc
Formula	C31 H29 N9 O12 Zn2
Calculated formula	C31 H29 N9 O12 Zn2
SMILES	[Zn]1234[N](c5ccccc5)(Cc5[n]3c(C[N]1(c1ccccc1)Cc1[n]2cccc1)ccc5)Cc1[n]4cccc1.N(=O)(=O)O[Zn]12(ON(=O)=[O]1)(ON(=O)=[O]2)ON(=O)=O
Title of publication	Increasing the Dynamic Range of Metal Ion Affinity Changes in Zn2+ Photocages Using Multiple Nitrobenzyl Groups
Authors of publication	Celina Gwizdala; Prem N. Basa; John C. MacDonald; Shawn C. Burdette
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8483 - 8494
a	10.4293 ± 0.0003 Å
b	15.1047 ± 0.0003 Å
c	22.6113 ± 0.0006 Å
α	90°
β	102.094 ± 0.001°
γ	90°
Cell volume	3482.93 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.08
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.294
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335530.cif
101463	2014-02-14	cif/ Adding structures of 4335530 via cif-deposit CGI script.	4335530.cif