Crystallography Open Database

Information card for entry 7019269

7019268 << 7019269 >> 7019270

Preview

Coordinates	7019269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Cl2 N3 O Zn
Calculated formula	C19 H19 Cl2 N3 O Zn
SMILES	[Zn]12([n]3ccccc3C[N]2(Cc2[n]1cccc2)c1c(cccc1)OC)(Cl)Cl
Title of publication	Quantifying factors that influence metal ion release in photocaged complexes using ZinCast derivatives.
Authors of publication	Gwizdala, Celina; Singh, Charlene V.; Friss, Tracey R.; Macdonald, John C.; Burdette, Shawn C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	8162 - 8174
a	7.7523 ± 0.0003 Å
b	25.2982 ± 0.0011 Å
c	10.7609 ± 0.0004 Å
α	90°
β	106.849 ± 0.002°
γ	90°
Cell volume	2019.82 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0608
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179896 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/92.	7019269.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019269.cif
62827	2012-07-09	cif/ Adding structures of 7019269 via cif-deposit CGI script.	7019269.cif