Crystallography Open Database

Information card for entry 7001289

Preview

Coordinates	7001289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl2 N4 Zn
Calculated formula	C24 H26 Cl2 N4 Zn
SMILES	C1c2ccc3ccccc3[n]2[Zn]23([N]1(CC[N]2(Cc1ccc2ccccc2[n]31)C)C)(Cl)Cl
Title of publication	Bisquinoline-based fluorescent zinc sensors
Authors of publication	Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	19
Pages of publication	3800 - 3806
a	15.141 ± 0.0008 Å
b	8.1197 ± 0.0005 Å
c	18.4635 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2269.9 ± 0.2 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoK\/Ya
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7001289.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001289.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001289.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001289.cif