Crystallography Open Database

Information card for entry 7052204

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Structure parameters

Formula	C30 H27 F6 N6 O2 P Zn
Calculated formula	C30 H27 F6 N6 O2 P Zn
Title of publication	A monoaqua zinc complex. Unique acid dissociation behaviour
Authors of publication	Drew, Michael G. B.; Parui, Debarati; De, Senjuti; Chowdhury, Shubhamoy; Datta, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	10
Pages of publication	1763
a	12.7999 ± 0.0011 Å
b	14.3093 ± 0.0015 Å
c	17.1281 ± 0.0013 Å
α	90°
β	103.118 ± 0.007°
γ	90°
Cell volume	3055.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1559
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1984
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	0.872
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7052204.cif
180076	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/22.	7052204.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052204.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052204.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052204.cif