Crystallography Open Database

Information card for entry 7002664

Preview

Coordinates	7002664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35 B N6 O2 S Zn
Calculated formula	C40 H35 B N6 O2 S Zn
SMILES	[Zn]12(Sc3ccc4c(oc(=O)cc4C)c3)[n]3n([BH](n4[n]1c(cc4C)c1ccccc1)n1[n]2c(cc1C)c1ccccc1)c(cc3c1ccccc1)C
Title of publication	New fluorescent zinc complexes: towards specific sensors for hydrogen sulfide in solution
Authors of publication	Galardon, Erwan; Tomas, Alain; Roussel, Pascal; Artaud, Isabelle
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	42
Pages of publication	9126
a	11.03 ± 0.001 Å
b	11.081 ± 0.001 Å
c	16.908 ± 0.001 Å
α	82.21 ± 0.01°
β	77.72 ± 0.01°
γ	61.4 ± 0.01°
Cell volume	1771.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179730 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/26.	7002664.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002664.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002664.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002664.cif