Crystallography Open Database

Information card for entry 7152641

Preview

Coordinates	7152641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 Cl2 N5 O11 Zn
Calculated formula	C33 H39 Cl2 N5 O11 Zn
Title of publication	Studies on acedan-based mononuclear zinc complexes toward selective fluorescent probes for pyrophosphate.
Authors of publication	Rao, Alla Sreenivasa; Singha, Subhankar; Choi, Wonyoung; Ahn, Kyo Han
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	42
Pages of publication	8410 - 8417
a	32.024 ± 0.003 Å
b	10.619 ± 0.0009 Å
c	21.2363 ± 0.0015 Å
α	90°
β	90.467 ± 0.003°
γ	90°
Cell volume	7221.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1454
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
180312 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/26.	7152641.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152641.cif
71701	2013-01-20	cif/ Adding structures of 7152641 via cif-deposit CGI script.	7152641.cif