Crystallography Open Database

Information card for entry 1549204

Preview

Coordinates	1549204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H50 Cl2 N13 O10 Zn2
Calculated formula	C64 H50 Cl2 N13 O10 Zn2
Title of publication	Combined experimental and theoretical studies on selective sensing of zinc and pyrophosphate ions by rational design of compartmental chemosensor probe: Dual sensing behaviour via secondary recognition approach and cell imaging studies.
Authors of publication	Mawai, Kiran; Nathani, Sandip; Roy, Partha; Singh, U. P.; Ghosh, Kaushik
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6421 - 6434
a	31.3887 ± 0.0011 Å
b	13.1644 ± 0.0004 Å
c	31.1914 ± 0.0009 Å
α	90°
β	90.956 ± 0.003°
γ	90°
Cell volume	12886.9 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1662
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1503
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
229869 (current)	2019-11-17	cif/ Updating files of 1549204 Original log message: Adding full bibliography for 1549204.cif.	1549204.cif
207235	2018-04-05	cif/ Adding structures of 1549204 via cif-deposit CGI script.	1549204.cif