Crystallography Open Database

Information card for entry 7701061

Preview

Coordinates	7701061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N10 O5 S4 Zn2
Calculated formula	C26 H24 N10 O5 S4 Zn2
Title of publication	Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity.
Authors of publication	Bansal, Deepak; Gupta, Rajeev
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	39
Pages of publication	14737 - 14747
a	9.7822 ± 0.0006 Å
b	10.1096 ± 0.0004 Å
c	16.8542 ± 0.001 Å
α	102.863 ± 0.004°
β	96.007 ± 0.005°
γ	106.756 ± 0.004°
Cell volume	1530.3 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	0.834
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224056 (current)	2019-11-07	cif/ Updating files of 7701061, 7701062, 7701063, 7701064 Original log message: Adding full bibliography for 7701061--7701064.cif.	7701061.cif
218058	2019-09-07	cif/ Adding structures of 7701061, 7701062, 7701063, 7701064 via cif-deposit CGI script.	7701061.cif